###
### Radius of Kikuchi pattern R = 1.21651 (used for computation of figure of merit)
###
###
### Bravais-type: number of indexing solutions (best figure of merit)
###

(1) Triclinic : 225 (49.9505)
(2) Monoclinic(P) : 180 (44.6191)
(3) Monoclinic(C) : 562 (55.1371)
(4) Orthorhombic(P) : 41 (37.8084)
(5) Orthorhombic(C) : 102 (44.9166)
(6) Orthorhombic(I) : 43 (51.5242)
(7) Orthorhombic(F) : 104 (53.7195)
(8) Tetragonal(P) : 47 (39.0676)
(9) Tetragonal(I) : 103 (55.8146)
(10) Trigonal : 159 (61.3391)
(11) Hexagonal : 0
(12) Cubic(P) : 8 (40.2164)
(13) Cubic(I) : 29 (61.2684)
(14) Cubic(F) : 0

###                                ###
### Candidates for        Cubic(F) ###
###                                ###

###                                ###
### Candidates for        Cubic(I) ###
###                                ###

###            No.1                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2568    1.2581    1.2649   90.0613   90.1118   89.8723      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7590    0.2153   -0.1030)
 a2 = (   -0.1900    0.7501    0.1817)
 a3 = (    0.1468   -0.1468    0.7629)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7570    0.2157   -0.1019) (    0.0014    0.0043    0.0034)
 a2 = (   -0.1891    0.7493    0.1809) (    0.0042    0.0013    0.0035)
 a3 = (    0.1453   -0.1483    0.7661) (    0.0036    0.0036    0.0009)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -29.3858   15.1649   44.4262    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             93             57
# Figure of merit at the beginning and the end of the refinement
        41.3294        61.2684
# Chi-squares at the beginning and the end of the refinement
    0.0309    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7244   -0.0548   -0.7289   -0.0565    0.0048    1
    2    1    3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -3    1   -0.0249    0.0834   -0.0241    0.0824    0.0012    1
    4    1    2    1   -0.1966   -0.5864   -0.1976   -0.5890    0.0027    1
    5    0    2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1   -2    1   -0.1029    0.1146   -0.1046    0.1173    0.0032    1
    7    0    3    1    0.1202   -0.5976    0.1201   -0.5972    0.0005    1
    8   -1    3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2   -1    1   -0.1902    0.0478   -0.1940    0.0483    0.0038    1
   10   -1    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    2    1    0.5350   -0.6137    0.5314   -0.6143    0.0036    1
   12    3    0    1   -0.1796   -0.0370   -0.1815   -0.0378    0.0021    1
   13   -3    1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3    2    1    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15    2    1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1    1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2    2    2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -3   -1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    0    1    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2   -1    1    0.2945    0.3309    0.2970    0.3320    0.0027    1
   23   -1   -2    1    0.0331    0.2656    0.0342    0.2676    0.0023    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2    1    3    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0   -3    1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    1    2    1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0    2    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    1   -2    1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    0    3    1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8   -1    3    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    2   -1    1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10   -1    1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1    2    1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    3    0    1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -3    1    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3    2    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    2    1    1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16   -2    0    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -2    1    1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -2    2    2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19   -3   -1    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20   -3    0    1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21    1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -2   -1    1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23   -1   -2    1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.2                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2544    1.2552    1.2704   89.5975   90.9182   90.0989      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1887   -0.7532   -0.1807)
 a2 = (   -0.7601   -0.2161    0.1017)
 a3 = (   -0.1351    0.1360   -0.7636)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1891   -0.7493   -0.1809) (    0.0042    0.0013    0.0035)
 a2 = (   -0.7570   -0.2157    0.1019) (    0.0014    0.0043    0.0034)
 a3 = (   -0.1453    0.1483   -0.7661) (    0.0036    0.0036    0.0009)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.6142  164.8351 -135.5738    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             89             57
# Figure of merit at the beginning and the end of the refinement
        22.5666        61.2684
# Chi-squares at the beginning and the end of the refinement
    0.0303    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7336   -0.0656   -0.7289   -0.0565    0.0103    1
    2   -3   -1    0   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3    3    0   -1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -2   -1   -1   -0.1902   -0.5829   -0.1976   -0.5890    0.0095    1
    5   -2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    0   -1    0.1198   -0.5906    0.1201   -0.5972    0.0066    1
    8   -3    1    0    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9    1   -2   -1   -0.1939    0.0481   -0.1940    0.0483    0.0003    1
   10   -1    1    0    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11   -2    1   -1    0.5261   -0.6059    0.5314   -0.6143    0.0099    1
   12    0   -3   -1   -0.1817   -0.0385   -0.1815   -0.0378    0.0008    1
   13   -1    3    0    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14   -2    3   -1    0.5240   -0.1500    0.5323   -0.1459    0.0092    1
   15   -1   -2   -1   -0.3341   -0.2391   -0.3358   -0.2354    0.0041    1
   16    0    2    0    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17   -1    2   -1    0.7193   -0.0845    0.7260   -0.0804    0.0079    1
   18   -2    2   -2    1.0343   -0.5098    1.0655   -0.4953    0.0344    1
   19    1    3    0    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20    0    3   -1    0.4394    0.1607    0.4436    0.1639    0.0052    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -1    0.2960    0.3270    0.2970    0.3320    0.0052    1
   23    2    1   -1    0.0355    0.2663    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -3   -1    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    3    0   -1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -2   -1   -1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5   -2    0    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    2   -1   -1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -3    0   -1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8   -3    1    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    1   -2   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10   -1    1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -2    1   -1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    0   -3   -1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -1    3    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -2    3   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -2   -1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    0    2    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -1    2   -1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -2    2   -2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    1    3    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    0    3   -1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21   -1   -1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    2   -1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    2    1   -1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.3                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2576    1.2581    1.2641   90.1132   90.1176   89.9331      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1882    0.7513    0.1803)
 a2 = (   -0.7581   -0.2156    0.1030)
 a3 = (    0.1436   -0.1457    0.7642)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1891    0.7493    0.1809) (    0.0042    0.0013    0.0035)
 a2 = (   -0.7570   -0.2157    0.1019) (    0.0014    0.0043    0.0034)
 a3 = (    0.1453   -0.1483    0.7661) (    0.0036    0.0036    0.0009)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.6142   15.1649   44.4262    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             85             57
# Figure of merit at the beginning and the end of the refinement
        48.7903        61.2684
# Chi-squares at the beginning and the end of the refinement
    0.0342    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -1    0   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -3    0    1   -0.0253    0.0856   -0.0241    0.0824    0.0034    1
    4    2   -1    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -1    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3    0    1    0.1189   -0.5953    0.1201   -0.5972    0.0022    1
    8    3    1    0    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -2    1   -0.1923    0.0485   -0.1940    0.0483    0.0018    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1    1    0.5325   -0.6134    0.5314   -0.6143    0.0014    1
   12    0   -3    1   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13    1    3    0    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    2    3    1    0.5294   -0.1500    0.5323   -0.1459    0.0050    1
   15    1   -2    1   -0.3354   -0.2363   -0.3358   -0.2354    0.0010    1
   16    0    2    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    2    1    0.7280   -0.0814    0.7260   -0.0804    0.0023    1
   18    2    2    2    1.0557   -0.5130    1.0655   -0.4953    0.0203    1
   19   -1    3    0    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    0    3    1    0.4425    0.1646    0.4436    0.1639    0.0013    1
   21    1   -1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1    2    1    0.2954    0.3313    0.2970    0.3320    0.0017    1
   23   -2    1    1    0.0342    0.2675    0.0342    0.2676    0.0002    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2    3   -1    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -3    0    1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    2   -1    1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    2    0    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -2   -1    1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    3    0    1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    3    1    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -1   -2    1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    1    1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11    2    1    1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    0   -3    1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    1    3    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    2    3    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1   -2    1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    0    2    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    1    2    1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18    2    2    2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19   -1    3    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    0    3    1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1    2    1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23   -2    1    1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.4                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2585    1.2596    1.2618   89.5545   90.7338   89.8782      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7581   -0.2150    0.1029)
 a2 = (    0.1897   -0.7492   -0.1815)
 a3 = (    0.1347   -0.1453    0.7675)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7570   -0.2157    0.1019) (    0.0014    0.0043    0.0034)
 a2 = (    0.1891   -0.7493   -0.1809) (    0.0042    0.0013    0.0035)
 a3 = (    0.1453   -0.1483    0.7661) (    0.0036    0.0036    0.0009)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  150.6142   15.1649   44.4262    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             95             57
# Figure of merit at the beginning and the end of the refinement
        36.0330        61.2684
# Chi-squares at the beginning and the end of the refinement
    0.0309    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7399   -0.0578   -0.7289   -0.0565    0.0110    1
    2   -1   -3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    3    1   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4   -1   -2    1   -0.1937   -0.5919   -0.1976   -0.5890    0.0048    1
    5    0   -2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    2    1   -0.1048    0.1177   -0.1046    0.1173    0.0005    1
    7    0   -3    1    0.1237   -0.5985    0.1201   -0.5972    0.0038    1
    8    1   -3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2    1    1   -0.1942    0.0490   -0.1940    0.0483    0.0007    1
   10    1   -1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1   -2    1    0.5375   -0.6100    0.5314   -0.6143    0.0074    1
   12   -3    0    1   -0.1826   -0.0379   -0.1815   -0.0378    0.0011    1
   13    3   -1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3   -2    1    0.5295   -0.1488    0.5323   -0.1459    0.0041    1
   15   -2   -1    1   -0.3389   -0.2398   -0.3358   -0.2354    0.0054    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -1    1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    2   -2    2    1.0527   -0.5035    1.0655   -0.4953    0.0152    1
   19    3    1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3    0    1    0.4425    0.1635    0.4436    0.1639    0.0011    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    1    1    0.2972    0.3303    0.2970    0.3320    0.0017    1
   23    1    2    1    0.0352    0.2683    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -1   -3    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0    3    1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -1   -2    1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0   -2    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1    2    1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    0   -3    1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    1   -3    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -2    1    1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    1   -1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11    1   -2    1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12   -3    0    1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    3   -1    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3   -2    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2   -1    1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    2    0    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    2   -1    1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18    2   -2    2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    3    1    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    3    0    1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21   -1   -1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2    1    1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    1    2    1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.5                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2591    1.2603    1.2604   89.9627   90.1273   89.6072      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7576    0.2149   -0.1028)
 a2 = (    0.1407   -0.1495    0.7665)
 a3 = (    0.1896   -0.7488   -0.1814)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7570    0.2157   -0.1019) (    0.0014    0.0043    0.0034)
 a2 = (    0.1453   -0.1483    0.7661) (    0.0036    0.0036    0.0009)
 a3 = (    0.1891   -0.7493   -0.1809) (    0.0042    0.0013    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5755  103.1758   14.1643    0.2509    0.2566    0.3228
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             95             58
# Figure of merit at the beginning and the end of the refinement
        42.4242        60.7379
# Chi-squares at the beginning and the end of the refinement
    0.0298    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2    1    0   -3   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    1    3   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1   -2   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5    0    0   -2    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    1    2   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    0    1   -3    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8   -1    0   -3    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2    1    1   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10   -1    0   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    1   -2    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12    3    1    0   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -3    0   -1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3    1   -2    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15    2    1   -1   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1   -1    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18   -2    2   -2    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19   -3    0    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    1    0    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21    1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1    1    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23   -1    1    2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2    1    0   -3   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0    1    3   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    1    1   -2   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0    0   -2    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    1    1    2   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    0    1   -3    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8   -1    0   -3    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    2    1    1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10   -1    0   -1    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1    1   -2    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    3    1    0   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -3    0   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3    1   -2    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    2    1   -1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16   -2    0    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -2    1   -1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -2    2   -2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19   -3    0    1    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20   -3    1    0    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21    1    0   -1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -2    1    1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23   -1    1    2    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.6                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2571    1.2611    1.2617   89.9409   90.5530   89.2222      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1415   -0.1599    0.7664)
 a2 = (   -0.1877    0.7492    0.1798)
 a3 = (   -0.7560   -0.2150    0.1027)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1453   -0.1483    0.7661) (    0.0036    0.0036    0.0009)
 a2 = (   -0.1891    0.7493    0.1809) (    0.0042    0.0013    0.0035)
 a3 = (   -0.7570   -0.2157    0.1019) (    0.0014    0.0043    0.0034)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.7123   82.6250  -74.0993    0.2591    0.2440    0.3309
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             77             58
# Figure of merit at the beginning and the end of the refinement
        34.7489        60.7379
# Chi-squares at the beginning and the end of the refinement
    0.3472    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    0    3   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1   -3    0   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1    2   -1   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    0    2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -2   -1   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7    1    3    0    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    0    3    1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1   -1   -2   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    0    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2    1    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12    1    0   -3   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    0    1    3    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1    2    3    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    1    1   -2   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    0    0    2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    1    2    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    2    2    2    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19    0   -1    3    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    0    3    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    1   -1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1   -1    2    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    1   -2    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2    0    3   -1   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1   -3    0   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    1    2   -1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0    2    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    1   -2   -1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    1    3    0    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    0    3    1    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    1   -1   -2   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0    1    1    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11    1    2    1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    1    0   -3   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    0    1    3    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    1    2    3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1    1   -2   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    0    0    2    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    1    1    2    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18    2    2    2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    0   -1    3    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    1    0    3    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -1    2    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    1   -2    1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.8                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2500    1.2561    1.2744   90.9756   91.1881   89.0097      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1894    0.7561    0.1814)
 a2 = (    0.1625   -0.1568    0.7637)
 a3 = (    0.7449    0.2271   -0.0983)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1886    0.7495    0.1806) (    0.0043    0.0013    0.0035)
 a2 = (    0.1455   -0.1480    0.7661) (    0.0036    0.0036    0.0009)
 a3 = (    0.7571    0.2151   -0.1022) (    0.0014    0.0044    0.0034)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2670   97.4000  105.8615    0.2620    0.2491    0.3368
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0032      0.0021    0.0020    0.0109

# Number of computed bands
            400             63
# Figure of merit at the beginning and the end of the refinement
         3.3930        59.7365
# Chi-squares at the beginning and the end of the refinement
    0.5226    0.0103
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    0    1   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3   -3    1    0   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4    2    1    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    1    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3    1    0    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    3    0   -1    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1    1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    1    3   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    1    0   -3    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    2    1   -3    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    1    1    2   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    0    0   -2    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    1    1   -2    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    3    3   -4    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19   -1    0   -3    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    0    1   -3    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    1    0    1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22   -1    1   -2    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23   -2    1   -1    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7287   -0.0546   -0.7289   -0.0565    0.0019    1
    2    3    0    1   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -3    1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2    1    1   -0.1963   -0.5869   -0.1976   -0.5890    0.0025    1
    5    2    0    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6   -2    1    1   -0.1042    0.1167   -0.1046    0.1173    0.0007    1
    7    3    1    0    0.1198   -0.5972    0.1201   -0.5972    0.0003    1
    8    3    0   -1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -1    1    2   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    1    0   -1    0.2264   -0.1281    0.2267   -0.1283    0.0004    1
   11    2    1   -1    0.5348   -0.6143    0.5314   -0.6143    0.0034    1
   12    0    1    3   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    1    0   -3    0.1976   -0.0087    0.1981   -0.0091    0.0007    1
   14    2    1   -3    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15    1    1    2   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16    0    0   -2    0.1250    0.0350    0.1256    0.0356    0.0009    1
   17    1    1   -2    0.7285   -0.0805    0.7260   -0.0804    0.0025    1
   18    2    2   -2    1.0601   -0.5121    1.0655   -0.4953    0.0176    1
   19   -1    0   -3    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    0    1   -3    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    1    0    1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1    1   -2    0.2949    0.3309    0.2970    0.3320    0.0023    1
   23   -2    1   -1    0.0341    0.2668    0.0342    0.2676    0.0009    1

###            No.10                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2481    1.2656    1.2664   89.9354   90.9756   89.8824      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1600   -0.1434    0.7720)
 a2 = (    0.1870   -0.7465   -0.1791)
 a3 = (    0.7533    0.2142   -0.1023)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1455   -0.1480    0.7661) (    0.0036    0.0036    0.0009)
 a2 = (    0.1886   -0.7495   -0.1806) (    0.0043    0.0013    0.0035)
 a3 = (    0.7571    0.2151   -0.1022) (    0.0014    0.0044    0.0034)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2670   97.4000  105.8615    0.2620    0.2491    0.3368
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0032      0.0021    0.0020    0.0109

# Number of computed bands
            400             67
# Figure of merit at the beginning and the end of the refinement
         7.7680        57.9259
# Chi-squares at the beginning and the end of the refinement
    0.5278    0.0103
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3    1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1    3    0   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4    1   -2    1   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5    0   -2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2    1   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7    1   -3    0    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8    0   -3   -1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    0    3   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13    0   -1   -3    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1   -2   -3    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15    1   -1    2   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16    0    0   -2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1   -1   -2    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18    2   -2   -2    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19    0    1   -3    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    0   -3    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21    0   -1    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    1   -2    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23    1    2   -1    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7287   -0.0546   -0.7289   -0.0565    0.0019    1
    2    0   -3    1   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    1    3    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1   -2    1   -0.1963   -0.5869   -0.1976   -0.5890    0.0025    1
    5    0   -2    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    1    2    1   -0.1042    0.1167   -0.1046    0.1173    0.0007    1
    7    1   -3    0    0.1198   -0.5972    0.1201   -0.5972    0.0003    1
    8    0   -3   -1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1    1    2   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0   -1   -1    0.2264   -0.1281    0.2267   -0.1283    0.0004    1
   11    1   -2   -1    0.5348   -0.6143    0.5314   -0.6143    0.0034    1
   12    1    0    3   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0   -1   -3    0.1976   -0.0087    0.1981   -0.0091    0.0007    1
   14    1   -2   -3    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15    1   -1    2   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16    0    0   -2    0.1250    0.0350    0.1256    0.0356    0.0009    1
   17    1   -1   -2    0.7285   -0.0805    0.7260   -0.0804    0.0025    1
   18    2   -2   -2    1.0601   -0.5121    1.0655   -0.4953    0.0176    1
   19    0    1   -3    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    1    0   -3    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    0   -1    1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    1    1   -2    0.2949    0.3309    0.2970    0.3320    0.0023    1
   23    1    2   -1    0.0341    0.2668    0.0342    0.2676    0.0009    1

###            No.11                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2576    1.2589    1.2633   89.8333   90.3229   90.1285      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7585   -0.2152    0.1029)
 a2 = (   -0.1898    0.7497    0.1816)
 a3 = (   -0.1494    0.1448   -0.7638)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7570   -0.2157    0.1019) (    0.0014    0.0043    0.0034)
 a2 = (   -0.1891    0.7493    0.1809) (    0.0042    0.0013    0.0035)
 a3 = (   -0.1453    0.1483   -0.7661) (    0.0036    0.0036    0.0009)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3858  164.8351 -135.5738    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             79             64
# Figure of merit at the beginning and the end of the refinement
        41.9156        57.8208
# Chi-squares at the beginning and the end of the refinement
    0.0309    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2   -1    3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -3   -1   -0.0252    0.0839   -0.0241    0.0824    0.0018    1
    4   -1    2   -1   -0.1972   -0.5860   -0.1976   -0.5890    0.0030    1
    5    0    2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -2   -1   -0.1036    0.1149   -0.1046    0.1173    0.0026    1
    7    0    3   -1    0.1194   -0.5981    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2   -1   -1   -0.1908    0.0477   -0.1940    0.0483    0.0033    1
   10    1    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    2   -1    0.5344   -0.6157    0.5314   -0.6143    0.0033    1
   12   -3    0   -1   -0.1799   -0.0372   -0.1815   -0.0378    0.0017    1
   13    3    1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    2   -1    0.5305   -0.1501    0.5323   -0.1459    0.0045    1
   15   -2    1   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    1   -1    0.7300   -0.0818    0.7260   -0.0804    0.0042    1
   18    2    2   -2    1.0598   -0.5170    1.0655   -0.4953    0.0224    1
   19    3   -1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3    0   -1    0.4432    0.1647    0.4436    0.1639    0.0009    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1   -1    0.2954    0.3322    0.2970    0.3320    0.0016    1
   23    1   -2   -1    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -1    3    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0   -3   -1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -1    2   -1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0    2    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1   -2   -1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    0    3   -1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    1    3    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -2   -1   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    1    1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11    1    2   -1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12   -3    0   -1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    3    1    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3    2   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2    1   -1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    2    0    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    2    1   -1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18    2    2   -2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    3   -1    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    3    0   -1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2   -1   -1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    1   -2   -1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.13                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2561    1.2611    1.2627   90.1692   90.1134   89.7499      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7595    0.2154   -0.1031)
 a2 = (    0.1847   -0.7500   -0.1796)
 a3 = (   -0.1435    0.1454   -0.7652)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7570    0.2157   -0.1019) (    0.0014    0.0043    0.0034)
 a2 = (    0.1891   -0.7493   -0.1809) (    0.0042    0.0013    0.0035)
 a3 = (   -0.1453    0.1483   -0.7661) (    0.0036    0.0036    0.0009)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -150.6142  164.8351 -135.5738    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             81             65
# Figure of merit at the beginning and the end of the refinement
        42.9605        57.3743
# Chi-squares at the beginning and the end of the refinement
    0.0300    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -3    0   -0.0146   -0.1755   -0.0133   -0.1793    0.0040    1
    3    0    3   -1   -0.0254    0.0871   -0.0241    0.0824    0.0049    1
    4    1   -2   -1   -0.1982   -0.5832   -0.1976   -0.5890    0.0058    1
    5    0   -2    0    0.0556   -0.2258    0.0566   -0.2258    0.0009    1
    6    1    2   -1   -0.1052    0.1182   -0.1046    0.1173    0.0011    1
    7    0   -3   -1    0.1165   -0.5969    0.1201   -0.5972    0.0036    1
    8   -1   -3    0    0.1438   -0.2226    0.1441   -0.2219    0.0008    1
    9    2    1   -1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2   -1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    3    0   -1   -0.1806   -0.0373   -0.1815   -0.0378    0.0011    1
   13   -3   -1    0    0.1981   -0.0083    0.1981   -0.0091    0.0008    1
   14   -3   -2   -1    0.5300   -0.1499    0.5323   -0.1459    0.0046    1
   15    2   -1   -1   -0.3353   -0.2349   -0.3358   -0.2354    0.0007    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -1   -1    0.7286   -0.0811    0.7260   -0.0804    0.0027    1
   18   -2   -2   -2    1.0586   -0.5144    1.0655   -0.4953    0.0204    1
   19   -3    1    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20   -3    0   -1    0.4424    0.1640    0.4436    0.1639    0.0012    1
   21    1   -1    0   -0.0348   -0.0585   -0.0357   -0.0605    0.0022    1
   22   -2    1   -1    0.2968    0.3305    0.2970    0.3320    0.0015    1
   23   -1    2   -1    0.0356    0.2688    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2    1   -3    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0    3   -1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    1   -2   -1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0   -2    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    1    2   -1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    0   -3   -1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8   -1   -3    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    2    1   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10   -1   -1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1   -2   -1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    3    0   -1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -3   -1    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3   -2   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    2   -1   -1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16   -2    0    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -2   -1   -1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -2   -2   -2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19   -3    1    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20   -3    0   -1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -2    1   -1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23   -1    2   -1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.15                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2574    1.2581    1.2644   89.9936   90.1056   90.0101      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1887   -0.7512   -0.1806)
 a2 = (    0.7583    0.2151   -0.1029)
 a3 = (    0.1456   -0.1484    0.7631)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1891   -0.7493   -0.1809) (    0.0042    0.0013    0.0035)
 a2 = (    0.7570    0.2157   -0.1019) (    0.0014    0.0043    0.0034)
 a3 = (    0.1453   -0.1483    0.7661) (    0.0036    0.0036    0.0009)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -119.3858   15.1649   44.4262    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             83             66
# Figure of merit at the beginning and the end of the refinement
        46.4461        56.9380
# Chi-squares at the beginning and the end of the refinement
    0.0294    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2   -3    1    0   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    3    0    1   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4   -2    1    1   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5   -2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2    1    1   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7   -3    0    1    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8   -3   -1    0    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1    2    1   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -1    1    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12    0    3    1   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13   -1   -3    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2   -3    1    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15   -1    2    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -2    1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2   -2    2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    1   -3    0    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -3    1    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21   -1    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1   -2    1    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23    2   -1    1    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -3    1    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    3    0    1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -2    1    1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5   -2    0    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    2    1    1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -3    0    1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8   -3   -1    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    1    2    1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10   -1   -1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -2   -1    1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    0    3    1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -1   -3    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -2   -3    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1    2    1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    0   -2    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -1   -2    1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -2   -2    2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    1   -3    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    0   -3    1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -2    1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    2   -1    1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.17                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2563    1.2614    1.2623   89.9813   91.0989   90.4474      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1593    0.1380   -0.7678)
 a2 = (    0.1881   -0.7488   -0.1800)
 a3 = (   -0.7558   -0.2144    0.1026)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1453    0.1483   -0.7661) (    0.0036    0.0036    0.0009)
 a2 = (    0.1891   -0.7493   -0.1809) (    0.0042    0.0013    0.0035)
 a3 = (   -0.7570   -0.2157    0.1019) (    0.0014    0.0043    0.0034)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2877   82.6250  -74.0993    0.2591    0.2440    0.3309
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             69             67
# Figure of merit at the beginning and the end of the refinement
        23.4273        56.5115
# Chi-squares at the beginning and the end of the refinement
    0.7466    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7218   -0.0603   -0.7289   -0.0565    0.0080    1
    2    0   -3   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -1    3    0   -0.0265    0.0875   -0.0241    0.0824    0.0056    1
    4   -1   -2   -1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    0   -2    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -1    2   -1   -0.1069    0.1176   -0.1046    0.1173    0.0023    1
    7   -1   -3    0    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    0   -3    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    1   -2   -0.1940    0.0478   -0.1940    0.0483    0.0005    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2    1    0.5301   -0.6241    0.5314   -0.6143    0.0099    1
   12   -1    0   -3   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0   -1    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -2    3    0.5334   -0.1538    0.5323   -0.1459    0.0080    1
   15   -1   -1   -2   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    2    0.7381   -0.0872    0.7260   -0.0804    0.0139    1
   18   -2   -2    2    1.0664   -0.5388    1.0655   -0.4953    0.0436    1
   19    0    1    3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -1    0    3    0.4486    0.1662    0.4436    0.1639    0.0055    1
   21    0   -1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1    1    2    0.2991    0.3380    0.2970    0.3320    0.0064    1
   23   -1    2    1    0.0324    0.2720    0.0342    0.2676    0.0047    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2    0   -3   -1   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    3    0   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -1   -2   -1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0   -2    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1    2   -1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -1   -3    0    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    0   -3    1    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -1    1   -2   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0   -1    1    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1   -2    1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12   -1    0   -3   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    0   -1    3    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -1   -2    3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -1   -2   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    0    0    2    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -1   -1    2    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -2   -2    2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    0    1    3    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20   -1    0    3    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21    0   -1   -1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1    1    2    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23   -1    2    1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.23                ###
# Bravais type
        Cubic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2580    1.2604    1.2616   90.0061   91.0097   89.4282      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2599    1.2599    1.2599   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1422    0.1624   -0.7652)
 a2 = (   -0.7569   -0.2144    0.1034)
 a3 = (   -0.1876    0.7491    0.1793)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1453    0.1483   -0.7661) (    0.0036    0.0036    0.0009)
 a2 = (   -0.7570   -0.2157    0.1019) (    0.0014    0.0043    0.0034)
 a3 = (   -0.1891    0.7493    0.1809) (    0.0042    0.0013    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -82.4245   76.8242 -165.8357    0.2509    0.2566    0.3228
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
             75             71
# Figure of merit at the beginning and the end of the refinement
        33.6423        54.8965
# Chi-squares at the beginning and the end of the refinement
    0.4865    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2    0   -1    3   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3   -1    0   -3   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1   -1    2   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    0    0    2    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6   -1   -1   -2   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7   -1    0    3    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8    0    1    3    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1   -2   -1   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    0    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    2    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12   -1   -3    0   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13    0    3    1    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -1    3    2    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15   -1   -2    1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    0    2    0    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17   -1    2    1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18   -2    2    2    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    0    3   -1    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20   -1    3    0    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0   -1    1   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22   -1    2   -1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1    1   -2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2    0   -1    3   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    0   -3   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -1   -1    2   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0    0    2    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1   -1   -2   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -1    0    3    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    0    1    3    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -1   -2   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0    1    1    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1    1    2    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12   -1   -3    0   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    0    3    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -1    3    2    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -2    1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    0    2    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -1    2    1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -2    2    2    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    0    3   -1    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20   -1    3    0    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21    0   -1    1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1    2   -1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23   -1    1   -2    0.0339    0.2661    0.0342    0.2676    0.0015    1

###                                ###
### Candidates for        Cubic(P) ###
###                                ###

###            No.1                ###
# Bravais type
        Cubic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9906    1.0048    1.0048   90.0261   90.1692   90.9941      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2015   -0.1801    0.9728)
 a2 = (    0.9495    0.2693   -0.1288)
 a3 = (   -0.2355    0.9402    0.2259)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1833   -0.1865    0.9652) (    0.0046    0.0046    0.0012)
 a2 = (    0.9539    0.2710   -0.1288) (    0.0018    0.0056    0.0043)
 a3 = (   -0.2376    0.9443    0.2276) (    0.0055    0.0016    0.0044)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.6005   76.8455 -165.8779    0.2560    0.2596    0.3295
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0032      0.0021    0.0020    0.0109

# Number of computed bands
            400            139
# Figure of merit at the beginning and the end of the refinement
         7.7835        40.2164
# Chi-squares at the beginning and the end of the refinement
    0.5275    0.0103
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    1    3   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    1    0   -3   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4    1    1    2   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0    0    1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1    1   -2   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7    1    0    3    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    0   -1    3    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    1    2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    3    0   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    0   -3    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1   -3    2    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15    1    2    1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -2    1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    1   -1    1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    0   -3   -1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    1   -3    0    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    0    1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1   -2   -1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    1   -1   -2    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7287   -0.0546   -0.7289   -0.0565    0.0019    1
    2    0    1    3   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    1    0   -3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    1    2   -0.1963   -0.5869   -0.1976   -0.5890    0.0025    1
    5    0    0    1    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    1    1   -2   -0.1042    0.1167   -0.1046    0.1173    0.0007    1
    7    1    0    3    0.1198   -0.5972    0.1201   -0.5972    0.0003    1
    8    0   -1    3    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1    2   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0   -1    1    0.2264   -0.1281    0.2267   -0.1283    0.0004    1
   11    1   -1    2    0.5348   -0.6143    0.5314   -0.6143    0.0034    1
   12    1    3    0   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0   -3    1    0.1976   -0.0087    0.1981   -0.0091    0.0007    1
   14    1   -3    2    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15    1    2    1   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16    0   -1    0    0.1250    0.0350    0.1256    0.0356    0.0009    1
   17    1   -2    1    0.7285   -0.0805    0.7260   -0.0804    0.0025    1
   18    1   -1    1    1.0601   -0.5121    1.0655   -0.4953    0.0176    1
   19    0   -3   -1    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    1   -3    0    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    0    1    1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    1   -2   -1    0.2949    0.3309    0.2970    0.3320    0.0023    1
   23    1   -1   -2    0.0341    0.2668    0.0342    0.2676    0.0009    1

###            No.2                ###
# Bravais type
        Cubic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9855    1.0013    1.0141   91.9005   90.4410   90.8349      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2550    0.9544    0.2323)
 a2 = (   -0.9533   -0.2704    0.1294)
 a3 = (    0.1480   -0.1850    0.9578)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2376    0.9443    0.2276) (    0.0055    0.0016    0.0044)
 a2 = (   -0.9539   -0.2710    0.1288) (    0.0018    0.0056    0.0043)
 a3 = (    0.1833   -0.1865    0.9652) (    0.0046    0.0046    0.0012)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.4928   15.1588   44.5069    0.9508    0.2602    1.0456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0032      0.0021    0.0020    0.0109

# Number of computed bands
            400            145
# Figure of merit at the beginning and the end of the refinement
         5.4027        39.3755
# Chi-squares at the beginning and the end of the refinement
    0.2103    0.0103
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3   -1    0   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -3    0    1   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    2   -1    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1    0    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -2   -1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    3    0    1    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    3    1    0    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9   -1   -2    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    0   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    0    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    2    3    1    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    1   -2    1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    2    1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    1    1    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -1    3    0    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    0    3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1   -1    0   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22   -1    2    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -2    1    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7287   -0.0546   -0.7289   -0.0565    0.0019    1
    2    3   -1    0   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -3    0    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2   -1    1   -0.1963   -0.5869   -0.1976   -0.5890    0.0025    1
    5    1    0    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6   -2   -1    1   -0.1042    0.1167   -0.1046    0.1173    0.0007    1
    7    3    0    1    0.1198   -0.5972    0.1201   -0.5972    0.0003    1
    8    3    1    0    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -1   -2    1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    1    1    0    0.2264   -0.1281    0.2267   -0.1283    0.0004    1
   11    2    1    1    0.5348   -0.6143    0.5314   -0.6143    0.0034    1
   12    0   -3    1   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    1    3    0    0.1976   -0.0087    0.1981   -0.0091    0.0007    1
   14    2    3    1    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15    1   -2    1   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16    0    1    0    0.1250    0.0350    0.1256    0.0356    0.0009    1
   17    1    2    1    0.7285   -0.0805    0.7260   -0.0804    0.0025    1
   18    1    1    1    1.0601   -0.5121    1.0655   -0.4953    0.0176    1
   19   -1    3    0    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    0    3    1    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    1   -1    0   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1    2    1    0.2949    0.3309    0.2970    0.3320    0.0023    1
   23   -2    1    1    0.0341    0.2668    0.0342    0.2676    0.0009    1

###            No.3                ###
# Bravais type
        Cubic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9976    0.9990    1.0034   90.0410   90.1487   90.0532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2372   -0.9470   -0.2272)
 a2 = (   -0.9551   -0.2709    0.1279)
 a3 = (   -0.1815    0.1828   -0.9628)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2383   -0.9441   -0.2279) (    0.0054    0.0016    0.0044)
 a2 = (   -0.9538   -0.2717    0.1284) (    0.0018    0.0055    0.0042)
 a3 = (   -0.1831    0.1868   -0.9652) (    0.0045    0.0046    0.0012)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.6142  164.8351 -135.5738    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
            159            142
# Figure of merit at the beginning and the end of the refinement
        31.8190        38.8177
# Chi-squares at the beginning and the end of the refinement
    0.0303    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2   -3   -1    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    3    0   -1   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4   -2   -1   -1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    0   -1    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8   -3    1    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1   -2   -1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10   -1    1    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -2    1   -1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    0   -3   -1   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -1    3    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -2    3   -1    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15   -1   -2   -1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    0    1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1    2   -1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18   -1    1   -1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19    1    3    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    0    3   -1    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    2    1   -1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -3   -1    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    3    0   -1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -2   -1   -1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5   -1    0    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    2   -1   -1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -3    0   -1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8   -3    1    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    1   -2   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10   -1    1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -2    1   -1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    0   -3   -1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -1    3    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -2    3   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -2   -1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    0    1    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -1    2   -1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -1    1   -1    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    1    3    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    0    3   -1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21   -1   -1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    2   -1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    2    1   -1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.4                ###
# Bravais type
        Cubic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9990    0.9992    1.0018   89.8431   89.9956   89.9726      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9549   -0.2708    0.1299)
 a2 = (   -0.2368    0.9455    0.2269)
 a3 = (   -0.1829    0.1827   -0.9642)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9538   -0.2717    0.1284) (    0.0018    0.0055    0.0042)
 a2 = (   -0.2383    0.9441    0.2279) (    0.0054    0.0016    0.0044)
 a3 = (   -0.1831    0.1868   -0.9652) (    0.0045    0.0046    0.0012)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3858  164.8351 -135.5738    0.9295    0.2578    1.0356
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
            161            158
# Figure of merit at the beginning and the end of the refinement
        34.2913        36.7998
# Chi-squares at the beginning and the end of the refinement
    0.0319    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    3    0   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    0   -3   -1   -0.0256    0.0864   -0.0241    0.0824    0.0042    1
    4   -1    2   -1   -0.1963   -0.5849   -0.1976   -0.5890    0.0043    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -2   -1   -0.1049    0.1173   -0.1046    0.1173    0.0003    1
    7    0    3   -1    0.1185   -0.5962    0.1201   -0.5972    0.0018    1
    8    1    3    0    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -2   -1   -1   -0.1928    0.0485   -0.1940    0.0483    0.0013    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2   -1    0.5329   -0.6149    0.5314   -0.6143    0.0016    1
   12   -3    0   -1   -0.1808   -0.0374   -0.1815   -0.0378    0.0008    1
   13    3    1    0    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    3    2   -1    0.5301   -0.1505    0.5323   -0.1459    0.0051    1
   15   -2    1   -1   -0.3359   -0.2361   -0.3358   -0.2354    0.0007    1
   16    1    0    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    2    1   -1    0.7295   -0.0822    0.7260   -0.0804    0.0039    1
   18    1    1   -1    1.0577   -0.5159    1.0655   -0.4953    0.0220    1
   19    3   -1    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    3    0   -1    0.4437    0.1647    0.4436    0.1639    0.0008    1
   21   -1    1    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    2   -1   -1    0.2966    0.3324    0.2970    0.3320    0.0005    1
   23    1   -2   -1    0.0342    0.2687    0.0342    0.2676    0.0011    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -1    3    0   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0   -3   -1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -1    2   -1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0    1    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1   -2   -1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    0    3   -1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    1    3    0    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -2   -1   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    1    1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11    1    2   -1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12   -3    0   -1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    3    1    0    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3    2   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2    1   -1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    1    0    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    2    1   -1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18    1    1   -1    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    3   -1    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    3    0   -1    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2   -1   -1    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    1   -2   -1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.5                ###
# Bravais type
        Cubic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9973    1.0007    1.0021   89.9453   89.5045   89.8382      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   90.0000   90.0000   90.0000      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.0000    0.0000    0.0000      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1736   -0.1863    0.9699)
 a2 = (    0.2365   -0.9441   -0.2265)
 a3 = (    0.9522    0.2701   -0.1275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1831   -0.1868    0.9652) (    0.0045    0.0046    0.0012)
 a2 = (    0.2383   -0.9441   -0.2279) (    0.0054    0.0016    0.0044)
 a3 = (    0.9538    0.2717   -0.1284) (    0.0018    0.0055    0.0042)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2877   97.3750  105.9007    0.2591    0.2440    0.3309
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0021    0.0020    0.0106

# Number of computed bands
            163            159
# Figure of merit at the beginning and the end of the refinement
        22.0792        36.6839
# Chi-squares at the beginning and the end of the refinement
    0.1791    0.0198
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2    0   -3    1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1    3    0   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4    1   -2    1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2    1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7    1   -3    0    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    0   -3   -1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1    1    2   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    0   -1   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1   -2   -1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    1    0    3   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    0   -1   -3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    1   -2   -3    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15    1   -1    2   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    0   -1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1   -1   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1   -1   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    0    1   -3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    1    0   -3    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    2   -1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2    0   -3    1   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1    3    0   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    1   -2    1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    0   -1    0    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    1    2    1   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    1   -3    0    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    0   -3   -1    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    1    1    2   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0   -1   -1    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11    1   -2   -1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12    1    0    3   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    0   -1   -3    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    1   -2   -3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1   -1    2   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    0    0   -1    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    1   -1   -2    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18    1   -1   -1    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    0    1   -3    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    1    0   -3    0.4410    0.1645    0.4436    0.1639    0.0027    1
   21    0   -1    1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    1   -2    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    1    2   -1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###                                ###
### Candidates for       Hexagonal ###
###                                ###

###                                ###
### Candidates for        Trigonal ###
###                                ###

###            No.1                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1040    1.0789    1.0812  109.5904  110.4436  107.6295      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0913    1.0913    1.0913  109.4875  109.4875  109.4875      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0047    0.0047    0.0060    0.0204    0.0204    0.3768      0.0000         0.0098    0.0098
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8845   -0.0686   -0.6486)
 a2 = (    0.0717   -0.6099   -0.9348)
 a3 = (   -0.5751   -0.9756   -0.0784)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9029   -0.0678   -0.6640) (    0.0031    0.0074    0.0041)
 a2 = (    0.0425   -0.6020   -0.9468) (    0.0075    0.0043    0.0027)
 a3 = (   -0.5688   -0.9649   -0.0786) (    0.0075    0.0074    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -136.9060   59.9542  -20.8088    0.3424    0.2896    0.3863
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0032      0.0022    0.0020    0.0109

# Number of computed bands
            400             58
# Figure of merit at the beginning and the end of the refinement
         5.4164        61.3391
# Chi-squares at the beginning and the end of the refinement
    0.0248    0.0103
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -1   -2   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -2    1    2   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    0   -1   -1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    1   -1   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -2    1    1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7    1   -2   -1    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8    2   -2   -1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -2    1    0   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2    0    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12   -2    1   -1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    2   -2    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -3    1    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15   -1    0   -1   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -2    1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18    1   -3    1    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19    1   -1    2    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    1   -2    2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    0    0   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    0   -1    2    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -1    0    2    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7285   -0.0551   -0.7289   -0.0565    0.0015    1
    2    1   -1   -2   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -2    1    2   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4    0   -1   -1   -0.1964   -0.5865   -0.1976   -0.5890    0.0027    1
    5    1   -1   -1    0.0573   -0.2264    0.0566   -0.2258    0.0009    1
    6   -2    1    1   -0.1042    0.1168   -0.1046    0.1173    0.0006    1
    7    1   -2   -1    0.1195   -0.5972    0.1201   -0.5972    0.0006    1
    8    2   -2   -1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -2    1    0   -0.1928    0.0484   -0.1940    0.0483    0.0012    1
   10    1   -1    0    0.2265   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -2    0    0.5346   -0.6147    0.5314   -0.6143    0.0032    1
   12   -2    1   -1   -0.1814   -0.0379   -0.1815   -0.0378    0.0002    1
   13    2   -2    1    0.1975   -0.0087    0.1981   -0.0091    0.0008    1
   14    2   -3    1    0.5296   -0.1496    0.5323   -0.1459    0.0045    1
   15   -1    0   -1   -0.3366   -0.2369   -0.3358   -0.2354    0.0016    1
   16    1   -1    1    0.1249    0.0350    0.1256    0.0356    0.0010    1
   17    1   -2    1    0.7287   -0.0805    0.7260   -0.0804    0.0027    1
   18    1   -3    1    1.0602   -0.5129    1.0655   -0.4953    0.0184    1
   19    1   -1    2    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1   -2    2    0.4419    0.1644    0.4436    0.1639    0.0017    1
   21    0    0   -1   -0.0350   -0.0606   -0.0357   -0.0605    0.0007    1
   22    0   -1    2    0.2949    0.3308    0.2970    0.3320    0.0024    1
   23   -1    0    2    0.0342    0.2667    0.0342    0.2676    0.0009    1

###            No.2                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1020    1.0812    1.1040  110.4436  111.2642  107.6325      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0911    1.0911    1.0911  109.4702  109.4702  109.4702      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0045    0.0058    0.0190    0.0190    0.3623      0.0000         0.0094    0.0094
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0717   -0.6099   -0.9348)
 a2 = (    0.6467    0.3658   -0.8564)
 a3 = (    0.9562   -0.5413   -0.2862)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0437   -0.6010   -0.9470) (    0.0070    0.0043    0.0027)
 a2 = (    0.6116    0.3640   -0.8679) (    0.0047    0.0065    0.0033)
 a3 = (    0.9461   -0.5337   -0.2828) (    0.0078    0.0063    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -115.6879   69.4207   58.0034    0.3290    0.3045    0.3682
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0022    0.0020    0.0106

# Number of computed bands
            400             57
# Figure of merit at the beginning and the end of the refinement
         5.4164        61.2295
# Chi-squares at the beginning and the end of the refinement
    0.4908    0.0203
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    2   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    1   -2    2   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4   -2    1    0   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5   -1    1   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    0   -1    2   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -2    1   -1    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -1    1   -2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    0    2   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0   -1    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12   -2    1    2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -1   -2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    0   -1   -2    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15   -2    1    1   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    1   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -1   -1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -1   -1   -1    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19    2   -2   -1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    1   -2   -1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1   -2    0    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23    1   -2    1    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7286   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -2    2   -1   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1   -2    2   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -2    1    0   -0.1960   -0.5871   -0.1976   -0.5890    0.0025    1
    5   -1    1   -1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    0   -1    2   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -2    1   -1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8   -1    1   -2    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -1    0    2   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0    0   -1    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1    0   -1    0.5352   -0.6133    0.5314   -0.6143    0.0039    1
   12   -2    1    2   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    1   -1   -2    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    0   -1   -2    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2    1    1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    1   -1   -1    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    0   -1   -1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -1   -1   -1    1.0597   -0.5101    1.0655   -0.4953    0.0159    1
   19    2   -2   -1    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    1   -2   -1    0.4409    0.1645    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -2    0    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    1   -2    1    0.0339    0.2661    0.0342    0.2676    0.0015    1

###            No.4                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1002    1.0834    1.0939  109.6412  110.2099  108.8529      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0912    1.0912    1.0912  109.4739  109.4739  109.4739      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0046    0.0046    0.0059    0.0194    0.0194    0.3669      0.0000         0.0095    0.0095
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8951   -0.0801   -0.6619)
 a2 = (    0.0536   -0.6172   -0.9443)
 a3 = (   -0.5714   -0.9694   -0.0791)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9024   -0.0675   -0.6642) (    0.0031    0.0073    0.0041)
 a2 = (    0.0437   -0.6011   -0.9470) (    0.0071    0.0043    0.0027)
 a3 = (   -0.5679   -0.9650   -0.0791) (    0.0073    0.0073    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -136.9079   60.0116  -20.7844    0.3425    0.2825    0.3813
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0022    0.0020    0.0106

# Number of computed bands
             89             57
# Figure of merit at the beginning and the end of the refinement
        22.5666        61.2119
# Chi-squares at the beginning and the end of the refinement
    0.1066    0.0204
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7336   -0.0656   -0.7289   -0.0565    0.0103    1
    2    1   -1   -2   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3   -2    1    2   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    0   -1   -1   -0.1902   -0.5829   -0.1976   -0.5890    0.0095    1
    5    1   -1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    1    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1   -2   -1    0.1198   -0.5906    0.1201   -0.5972    0.0066    1
    8    2   -2   -1    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9   -2    1    0   -0.1939    0.0481   -0.1940    0.0483    0.0003    1
   10    1   -1    0    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11    1   -2    0    0.5261   -0.6059    0.5314   -0.6143    0.0099    1
   12   -2    1   -1   -0.1817   -0.0385   -0.1815   -0.0378    0.0008    1
   13    2   -2    1    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14    2   -3    1    0.5240   -0.1500    0.5323   -0.1459    0.0092    1
   15   -1    0   -1   -0.3341   -0.2391   -0.3358   -0.2354    0.0041    1
   16    1   -1    1    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17    1   -2    1    0.7193   -0.0845    0.7260   -0.0804    0.0079    1
   18    1   -3    1    1.0343   -0.5098    1.0655   -0.4953    0.0344    1
   19    1   -1    2    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20    1   -2    2    0.4394    0.1607    0.4436    0.1639    0.0052    1
   21    0    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -1    2    0.2960    0.3270    0.2970    0.3320    0.0052    1
   23   -1    0    2    0.0355    0.2663    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7285   -0.0548   -0.7289   -0.0565    0.0017    1
    2    1   -1   -2   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -2    1    2   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    0   -1   -1   -0.1960   -0.5871   -0.1976   -0.5890    0.0025    1
    5    1   -1   -1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -2    1    1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    1   -2   -1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    2   -2   -1    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -2    1    0   -0.1928    0.0484   -0.1940    0.0483    0.0013    1
   10    1   -1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11    1   -2    0    0.5352   -0.6133    0.5314   -0.6143    0.0038    1
   12   -2    1   -1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    2   -2    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    2   -3    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1    0   -1   -0.3367   -0.2371   -0.3358   -0.2354    0.0019    1
   16    1   -1    1    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    1   -2    1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18    1   -3    1    1.0597   -0.5102    1.0655   -0.4953    0.0160    1
   19    1   -1    2    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    1   -2    2    0.4409    0.1645    0.4436    0.1639    0.0027    1
   21    0    0   -1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    0   -1    2    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23   -1    0    2    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.10                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0913    1.0893    1.0951  109.6983  109.6925  109.1928      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0912    1.0912    1.0912  109.4739  109.4739  109.4739      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0046    0.0046    0.0059    0.0194    0.0194    0.3669      0.0000         0.0095    0.0095
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0405    0.6049    0.9454)
 a2 = (    0.9079    0.0704    0.6608)
 a3 = (    0.5687    0.9648    0.0787)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0437    0.6011    0.9470) (    0.0071    0.0043    0.0027)
 a2 = (    0.9024    0.0675    0.6642) (    0.0031    0.0073    0.0041)
 a3 = (    0.5679    0.9650    0.0791) (    0.0073    0.0073    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.9144  119.9884  159.2156    0.3826    0.2825    0.3813
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0022    0.0020    0.0106

# Number of computed bands
             79             57
# Figure of merit at the beginning and the end of the refinement
        41.9156        61.2118
# Chi-squares at the beginning and the end of the refinement
    0.0534    0.0204
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2    1   -1    2   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1    2   -2   -0.0252    0.0839   -0.0241    0.0824    0.0018    1
    4    1    0    1   -0.1972   -0.5860   -0.1976   -0.5890    0.0030    1
    5    1   -1    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    2   -1   -0.1036    0.1149   -0.1046    0.1173    0.0026    1
    7    2   -1    1    0.1194   -0.5981    0.1201   -0.5972    0.0011    1
    8    2   -2    1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    2    0   -0.1908    0.0477   -0.1940    0.0483    0.0033    1
   10    1   -1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    2   -1    0    0.5344   -0.6157    0.5314   -0.6143    0.0033    1
   12   -1    2    1   -0.1799   -0.0372   -0.1815   -0.0378    0.0017    1
   13    2   -2   -1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3   -2   -1    0.5305   -0.1501    0.5323   -0.1459    0.0045    1
   15    0    1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -1   -1    0.7300   -0.0818    0.7260   -0.0804    0.0042    1
   18    3   -1   -1    1.0598   -0.5170    1.0655   -0.4953    0.0224    1
   19    1   -1   -2    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    2   -1   -2    0.4432    0.1647    0.4436    0.1639    0.0009    1
   21    0    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    0   -2    0.2954    0.3322    0.2970    0.3320    0.0016    1
   23    0    1   -2    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7285   -0.0548   -0.7289   -0.0565    0.0017    1
    2    1   -1    2   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    2   -2   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    1    0    1   -0.1960   -0.5871   -0.1976   -0.5890    0.0025    1
    5    1   -1    1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1    2   -1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    2   -1    1    0.1204   -0.5971    0.1201   -0.5972    0.0003    1
    8    2   -2    1    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -1    2    0   -0.1928    0.0484   -0.1940    0.0483    0.0013    1
   10    1   -1    0    0.2263   -0.1277    0.2267   -0.1283    0.0007    1
   11    2   -1    0    0.5352   -0.6133    0.5314   -0.6143    0.0038    1
   12   -1    2    1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    2   -2   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3   -2   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    0    1    1   -0.3367   -0.2371   -0.3358   -0.2354    0.0019    1
   16    1   -1   -1    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    2   -1   -1    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18    3   -1   -1    1.0597   -0.5102    1.0655   -0.4953    0.0160    1
   19    1   -1   -2    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    2   -1   -2    0.4409    0.1645    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    0   -2    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23    0    1   -2    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.14                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0977    1.0862    1.0839  108.6479  110.2098  109.1212      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0910    1.0910    1.0910  109.4647  109.4647  109.4647      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0062    0.0062    0.0079    0.0259    0.0259    0.4971      0.0000         0.0129    0.0129
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5933    0.3576   -0.8743)
 a2 = (    0.9402   -0.5323   -0.2815)
 a3 = (    0.0270   -0.6031   -0.9511)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6116    0.3641   -0.8678) (    0.0053    0.0114    0.0040)
 a2 = (    0.9460   -0.5336   -0.2826) (    0.0032    0.0054    0.0058)
 a3 = (    0.0436   -0.6009   -0.9469) (    0.0049    0.0113    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -78.6381  127.9419  -41.1318    0.5573    0.4166    0.3781
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0039      0.0021    0.0023    0.0114

# Number of computed bands
            400             57
# Figure of merit at the beginning and the end of the refinement
         7.7680        60.8603
# Chi-squares at the beginning and the end of the refinement
    0.4849    0.0205
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2   -1   -2   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -2    2    1   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4    1    0   -2   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5    1   -1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    2    0   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7    1   -1   -2    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8    1   -2   -1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    0    2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    2   -2   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13   -1   -2    1    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14   -1   -2    0    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15    1    1   -2   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16   -1   -1    1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17   -1   -1    0    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18   -1   -1   -1    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19   -2   -1    2    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20   -2   -1    1    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21    1    0   -1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -2    0    1    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23   -2    1    1    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7287   -0.0547   -0.7289   -0.0565    0.0018    1
    2    2   -1   -2   -0.0132   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -2    2    1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    1    0   -2   -0.1961   -0.5872   -0.1976   -0.5890    0.0023    1
    5    1   -1   -1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1    2    0   -0.1041    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -1   -2    0.1203   -0.5972    0.1201   -0.5972    0.0002    1
    8    1   -2   -1    0.1449   -0.2221    0.1441   -0.2219    0.0008    1
    9    0    2   -1   -0.1929    0.0484   -0.1940    0.0483    0.0012    1
   10    0   -1    0    0.2262   -0.1277    0.2267   -0.1283    0.0008    1
   11    0   -1   -1    0.5352   -0.6134    0.5314   -0.6143    0.0039    1
   12    1    2   -2   -0.1817   -0.0379   -0.1815   -0.0378    0.0002    1
   13   -1   -2    1    0.1970   -0.0085    0.1981   -0.0091    0.0013    1
   14   -1   -2    0    0.5289   -0.1488    0.5323   -0.1459    0.0044    1
   15    1    1   -2   -0.3369   -0.2372   -0.3358   -0.2354    0.0021    1
   16   -1   -1    1    0.1243    0.0349    0.1256    0.0356    0.0015    1
   17   -1   -1    0    0.7276   -0.0795    0.7260   -0.0804    0.0018    1
   18   -1   -1   -1    1.0600   -0.5101    1.0655   -0.4953    0.0159    1
   19   -2   -1    2    0.0415    0.0272    0.0407    0.0272    0.0008    1
   20   -2   -1    1    0.4408    0.1645    0.4436    0.1639    0.0028    1
   21    1    0   -1   -0.0353   -0.0610   -0.0357   -0.0605    0.0006    1
   22   -2    0    1    0.2939    0.3303    0.2970    0.3320    0.0036    1
   23   -2    1    1    0.0339    0.2660    0.0342    0.2676    0.0016    1

###            No.27                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0993    1.0856    1.0967  110.2180  109.6408  109.1528      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0918    1.0918    1.0918  109.5249  109.5249  109.5249      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0070    0.0070    0.0090    0.0325    0.0325    0.5652      0.0000         0.0147    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5659   -0.9601   -0.0783)
 a2 = (   -0.9139   -0.0708   -0.6702)
 a3 = (    0.0270   -0.6035   -0.9518)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5694   -0.9654   -0.0791) (    0.0058    0.0036    0.0059)
 a2 = (   -0.9034   -0.0692   -0.6644) (    0.0043    0.0127    0.0050)
 a3 = (    0.0412   -0.6032   -0.9471) (    0.0058    0.0123    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -173.7524  139.7062   64.2420    0.4449    0.4692    0.4079
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0006   -0.0003    0.0033      0.0021    0.0023    0.0121

# Number of computed bands
            400             58
# Figure of merit at the beginning and the end of the refinement
         7.9763        58.0979
# Chi-squares at the beginning and the end of the refinement
    0.0808    0.0108
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    1   -1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    2   -2    1   -0.0271    0.0891   -0.0241    0.0824    0.0073    1
    4   -1    0   -1   -0.2029   -0.5889   -0.1976   -0.5890    0.0053    1
    5   -1    1   -1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    1   -2    1   -0.1085    0.1197   -0.1046    0.1173    0.0046    1
    7   -1    1   -2    0.1158   -0.6036    0.1201   -0.5972    0.0077    1
    8   -1    2   -2    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    0   -2    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0    1   -2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1   -2    1   -0.1850   -0.0381   -0.1815   -0.0378    0.0035    1
   13    1    2   -2    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14    1    2   -3    0.5366   -0.1537    0.5323   -0.1459    0.0088    1
   15   -1   -1    0   -0.3405   -0.2372   -0.3358   -0.2354    0.0051    1
   16    1    1   -1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17    1    1   -2    0.7433   -0.0854    0.7260   -0.0804    0.0180    1
   18    1    1   -3    1.0803   -0.5396    1.0655   -0.4953    0.0468    0
   19    2    1   -1    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20    2    1   -2    0.4501    0.1681    0.4436    0.1639    0.0078    1
   21   -1    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    0   -1    0.2995    0.3403    0.2970    0.3320    0.0087    1
   23    2   -1    0    0.0323    0.2739    0.0342    0.2676    0.0065    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7281   -0.0561   -0.7289   -0.0565    0.0009    1
    2   -2    1   -1   -0.0133   -0.1774   -0.0133   -0.1793    0.0019    1
    3    2   -2    1   -0.0247    0.0853   -0.0241    0.0824    0.0029    1
    4   -1    0   -1   -0.1966   -0.5859   -0.1976   -0.5890    0.0032    1
    5   -1    1   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1   -2    1   -0.1042    0.1170   -0.1046    0.1173    0.0005    1
    7   -1    1   -2    0.1189   -0.5973    0.1201   -0.5972    0.0012    1
    8   -1    2   -2    0.1449   -0.2225    0.1441   -0.2219    0.0009    1
    9    0   -2    1   -0.1930    0.0484   -0.1940    0.0483    0.0010    1
   10    0    1   -1    0.2266   -0.1280    0.2267   -0.1283    0.0003    1
   11    0    1   -2    0.5341   -0.6156    0.5314   -0.6143    0.0030    1
   12   -1   -2    1   -0.1816   -0.0380   -0.1815   -0.0378    0.0002    1
   13    1    2   -2    0.1974   -0.0085    0.1981   -0.0091    0.0010    1
   14    1    2   -3    0.5299   -0.1497    0.5323   -0.1459    0.0045    1
   15   -1   -1    0   -0.3363   -0.2369   -0.3358   -0.2354    0.0016    1
   16    1    1   -1    0.1246    0.0351    0.1256    0.0356    0.0012    1
   17    1    1   -2    0.7291   -0.0807    0.7260   -0.0804    0.0031    1
   18    1    1   -3    1.0605   -0.5148    1.0655   -0.4953    0.0201    1
   19    2    1   -1    0.0417    0.0273    0.0407    0.0272    0.0010    1
   20    2    1   -2    0.4417    0.1645    0.4436    0.1639    0.0019    1
   21   -1    0    0   -0.0351   -0.0608   -0.0357   -0.0605    0.0006    1
   22    2    0   -1    0.2947    0.3306    0.2970    0.3320    0.0027    1
   23    2   -1    0    0.0343    0.2665    0.0342    0.2676    0.0011    1

###            No.29                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0865    1.0838    1.1112  110.5849  110.2967  108.0800      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0918    1.0918    1.0918  109.5225  109.5225  109.5225      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0070    0.0070    0.0090    0.0324    0.0324    0.5652      0.0000         0.0147    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9074    0.0703    0.6654)
 a2 = (    0.5555    0.9832    0.0832)
 a3 = (   -0.0268    0.5993    0.9451)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9034    0.0691    0.6644) (    0.0043    0.0127    0.0050)
 a2 = (    0.5693    0.9654    0.0791) (    0.0058    0.0036    0.0059)
 a3 = (   -0.0413    0.6031    0.9470) (    0.0058    0.0123    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  113.8798   40.2961 -115.7591    0.5858    0.4692    0.4080
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0006   -0.0003    0.0033      0.0021    0.0023    0.0121

# Number of computed bands
            400             60
# Figure of merit at the beginning and the end of the refinement
         3.3930        57.5500
# Chi-squares at the beginning and the end of the refinement
    0.4184    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    2    1   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    2   -2   -1   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4    0    1    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5   -1    1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -1    1    2    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8   -2    1    2    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9    2    0   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    2    1   -1   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13   -2   -1    2    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14   -2   -1    3    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    1    1    0   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16   -1   -1    1    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17   -1   -1    2    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18   -2   -2    5    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19   -1   -2    1    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20   -1   -2    2    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    0    1    0   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22    0   -2    1    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    1   -2    0    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7282   -0.0560   -0.7289   -0.0565    0.0009    1
    2   -1    2    1   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3    2   -2   -1   -0.0248    0.0853   -0.0241    0.0824    0.0030    1
    4    0    1    1   -0.1966   -0.5859   -0.1976   -0.5890    0.0032    1
    5   -1    1    1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    2   -1   -1   -0.1042    0.1170   -0.1046    0.1173    0.0005    1
    7   -1    1    2    0.1189   -0.5972    0.1201   -0.5972    0.0012    1
    8   -2    1    2    0.1448   -0.2224    0.1441   -0.2219    0.0009    1
    9    2    0   -1   -0.1931    0.0485   -0.1940    0.0483    0.0010    1
   10   -1    0    1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1    0    2    0.5340   -0.6154    0.5314   -0.6143    0.0028    1
   12    2    1   -1   -0.1816   -0.0380   -0.1815   -0.0378    0.0002    1
   13   -2   -1    2    0.1973   -0.0085    0.1981   -0.0091    0.0010    1
   14   -2   -1    3    0.5297   -0.1496    0.5323   -0.1459    0.0045    1
   15    1    1    0   -0.3363   -0.2369   -0.3358   -0.2354    0.0016    1
   16   -1   -1    1    0.1245    0.0350    0.1256    0.0356    0.0012    1
   17   -1   -1    2    0.7290   -0.0807    0.7260   -0.0804    0.0030    1
   18   -1   -1    3    1.0603   -0.5145    1.0655   -0.4953    0.0200    1
   19   -1   -2    1    0.0417    0.0273    0.0407    0.0272    0.0009    1
   20   -1   -2    2    0.4417    0.1645    0.4436    0.1639    0.0020    1
   21    0    1    0   -0.0351   -0.0608   -0.0357   -0.0605    0.0006    1
   22    0   -2    1    0.2947    0.3306    0.2970    0.3320    0.0027    1
   23    1   -2    0    0.0343    0.2665    0.0342    0.2676    0.0011    1

###            No.30                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1040    1.0789    1.1020  110.2851  111.2642  107.6295      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0915    1.0915    1.0915  109.4986  109.4986  109.4986      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0046    0.0046    0.0059    0.0203    0.0203    0.3690      0.0000         0.0096    0.0096
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3094   -0.9071    0.5702)
 a2 = (   -0.6467   -0.3658    0.8564)
 a3 = (   -0.5751   -0.9756   -0.0784)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3332   -0.8985    0.5856) (    0.0083    0.0038    0.0044)
 a2 = (   -0.6120   -0.3643    0.8683) (    0.0049    0.0066    0.0032)
 a3 = (   -0.5688   -0.9652   -0.0782) (    0.0075    0.0072    0.0050)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   41.3957  127.9517  -41.1909    0.3615    0.2915    0.4032
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0031      0.0022    0.0020    0.0109

# Number of computed bands
            400             67
# Figure of merit at the beginning and the end of the refinement
         5.4164        57.4893
# Chi-squares at the beginning and the end of the refinement
    0.3490    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    1   -2   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    2   -1    1   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    0    1   -2   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5   -1    1   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2   -1    0   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -1    2   -2    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -2    2   -1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    2   -1   -1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    2   -1    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    2   -1   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -2    2    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    3    0    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    1    0   -2   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16   -1    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    2    0    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -1    3   -1    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19   -1    1    2    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -1    2    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    0    0   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    0    1    1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23    1    0    1    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7291   -0.0544   -0.7289   -0.0565    0.0021    1
    2   -1    1   -2   -0.0133   -0.1770   -0.0133   -0.1793    0.0023    1
    3    2   -1    1   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4    0    1   -2   -0.1963   -0.5867   -0.1976   -0.5890    0.0026    1
    5   -1    1   -1    0.0571   -0.2262    0.0566   -0.2258    0.0007    1
    6    2   -1    0   -0.1042    0.1168   -0.1046    0.1173    0.0006    1
    7   -1    2   -2    0.1197   -0.5973    0.1201   -0.5972    0.0005    1
    8   -2    2   -1    0.1446   -0.2223    0.1441   -0.2219    0.0007    1
    9    2   -1   -1   -0.1928    0.0484   -0.1940    0.0483    0.0013    1
   10   -1    1    0    0.2265   -0.1282    0.2267   -0.1283    0.0003    1
   11   -1    2   -1    0.5352   -0.6145    0.5314   -0.6143    0.0037    1
   12    2   -1   -2   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13   -2    2    1    0.1976   -0.0088    0.1981   -0.0091    0.0006    1
   14   -2    3    0    0.5297   -0.1494    0.5323   -0.1459    0.0043    1
   15    1    0   -2   -0.3365   -0.2369   -0.3358   -0.2354    0.0017    1
   16   -1    1    1    0.1250    0.0350    0.1256    0.0356    0.0008    1
   17   -1    2    0    0.7287   -0.0799    0.7260   -0.0804    0.0027    1
   18   -1    3   -1    1.0611   -0.5112    1.0655   -0.4953    0.0166    1
   19   -1    1    2    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20   -1    2    1    0.4418    0.1646    0.4436    0.1639    0.0020    1
   21    0    0   -1   -0.0349   -0.0604   -0.0357   -0.0605    0.0008    1
   22    0    1    1    0.2946    0.3307    0.2970    0.3320    0.0027    1
   23    1    0    1    0.0342    0.2667    0.0342    0.2676    0.0010    1

###            No.32                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0970    1.0839    1.0862  108.6479  110.2698  109.0104      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0917    1.0917    1.0917  109.5111  109.5111  109.5111      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0063    0.0063    0.0081    0.0286    0.0286    0.5078      0.0000         0.0132    0.0132
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5933   -0.3576    0.8743)
 a2 = (   -0.5663   -0.9607   -0.0768)
 a3 = (    0.3470   -0.8899    0.5929)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6122   -0.3656    0.8679) (    0.0056    0.0116    0.0038)
 a2 = (   -0.5684   -0.9657   -0.0786) (    0.0056    0.0035    0.0058)
 a3 = (    0.3331   -0.8990    0.5854) (    0.0080    0.0119    0.0044)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  124.3859   69.4378   58.0117    0.4763    0.4138    0.3978
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0039      0.0021    0.0023    0.0115

# Number of computed bands
            400             67
# Figure of merit at the beginning and the end of the refinement
         7.7680        56.4867
# Chi-squares at the beginning and the end of the refinement
    0.5739    0.0193
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -2   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -1    1    2   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4    1   -2    0   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5    1   -1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0    2   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7    2   -2   -1    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8    2   -1   -2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1   -2    2   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13    2    1   -2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    3    0   -2    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15    0   -2    1   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16    1    1   -1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    2    0   -1    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18    3   -1   -1    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19    1    2   -1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    2    1   -1    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21    0   -1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    1    0    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23    0    1    1    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7292   -0.0544   -0.7289   -0.0565    0.0021    1
    2    1   -2   -1   -0.0132   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    1    2   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    1   -2    0   -0.1959   -0.5868   -0.1976   -0.5890    0.0027    1
    5    1   -1   -1    0.0573   -0.2262    0.0566   -0.2258    0.0008    1
    6   -1    0    2   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    2   -2   -1    0.1201   -0.5970    0.1201   -0.5972    0.0001    1
    8    2   -1   -2    0.1447   -0.2221    0.1441   -0.2219    0.0007    1
    9   -1   -1    2   -0.1929    0.0484   -0.1940    0.0483    0.0012    1
   10    1    0   -1    0.2263   -0.1279    0.2267   -0.1283    0.0006    1
   11    2   -1   -1    0.5356   -0.6136    0.5314   -0.6143    0.0042    1
   12   -1   -2    2   -0.1815   -0.0380   -0.1815   -0.0378    0.0003    1
   13    2    1   -2    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    3    0   -2    0.5293   -0.1486    0.5323   -0.1459    0.0040    1
   15    0   -2    1   -0.3365   -0.2371   -0.3358   -0.2354    0.0019    1
   16    1    1   -1    0.1246    0.0350    0.1256    0.0356    0.0012    1
   17    2    0   -1    0.7278   -0.0788    0.7260   -0.0804    0.0024    1
   18    3   -1   -1    1.0610   -0.5090    1.0655   -0.4953    0.0144    1
   19    1    2   -1    0.0418    0.0273    0.0407    0.0272    0.0011    1
   20    2    1   -1    0.4407    0.1648    0.4436    0.1639    0.0030    1
   21    0   -1    0   -0.0350   -0.0607   -0.0357   -0.0605    0.0007    1
   22    1    1    0    0.2937    0.3301    0.2970    0.3320    0.0038    1
   23    0    1    1    0.0341    0.2660    0.0342    0.2676    0.0017    1

###            No.33                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1022    1.0802    1.0878  109.1858  110.0570  108.9230      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0914    1.0914    1.0914  109.4935  109.4935  109.4935      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0044    0.0044    0.0057    0.0196    0.0196    0.3582      0.0000         0.0093    0.0093
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3219   -0.8872    0.5839)
 a2 = (   -0.6266   -0.3502    0.8679)
 a3 = (   -0.5705   -0.9679   -0.0789)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3336   -0.8985    0.5852) (    0.0082    0.0038    0.0043)
 a2 = (   -0.6121   -0.3649    0.8678) (    0.0048    0.0065    0.0032)
 a3 = (   -0.5682   -0.9653   -0.0790) (    0.0073    0.0071    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   41.3877  127.9826  -41.1587    0.3607    0.2893    0.3955
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0039      0.0022    0.0020    0.0106

# Number of computed bands
             91             67
# Figure of merit at the beginning and the end of the refinement
        23.8349        56.2709
# Chi-squares at the beginning and the end of the refinement
    0.1114    0.0197
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7367   -0.0666   -0.7289   -0.0565    0.0128    1
    2   -1    1   -2   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    2   -1    1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    0    1   -2   -0.1899   -0.5853   -0.1976   -0.5890    0.0085    1
    5   -1    1   -1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    2   -1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    2   -2    0.1211   -0.5922    0.1201   -0.5972    0.0050    1
    8   -2    2   -1    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    2   -1   -1   -0.1939    0.0481   -0.1940    0.0483    0.0003    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    2   -1    0.5278   -0.6066    0.5314   -0.6143    0.0085    1
   12    2   -1   -2   -0.1817   -0.0385   -0.1815   -0.0378    0.0008    1
   13   -2    2    1    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -2    3    0    0.5257   -0.1508    0.5323   -0.1459    0.0082    1
   15    1    0   -2   -0.3350   -0.2401   -0.3358   -0.2354    0.0048    1
   16   -1    1    1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -1    2    0    0.7211   -0.0855    0.7260   -0.0804    0.0072    1
   18   -1    3   -1    1.0348   -0.5103    1.0655   -0.4953    0.0342    1
   19   -1    1    2    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -1    2    1    0.4415    0.1607    0.4436    0.1639    0.0037    1
   21    0    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    1    1    0.2979    0.3280    0.2970    0.3320    0.0041    1
   23    1    0    1    0.0358    0.2674    0.0342    0.2676    0.0017    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7291   -0.0545   -0.7289   -0.0565    0.0020    1
    2   -1    1   -2   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    2   -1    1   -0.0249    0.0850   -0.0241    0.0824    0.0026    1
    4    0    1   -2   -0.1961   -0.5872   -0.1976   -0.5890    0.0023    1
    5   -1    1   -1    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6    2   -1    0   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -1    2   -2    0.1202   -0.5972    0.1201   -0.5972    0.0002    1
    8   -2    2   -1    0.1448   -0.2222    0.1441   -0.2219    0.0008    1
    9    2   -1   -1   -0.1929    0.0484   -0.1940    0.0483    0.0012    1
   10   -1    1    0    0.2263   -0.1278    0.2267   -0.1283    0.0007    1
   11   -1    2   -1    0.5355   -0.6135    0.5314   -0.6143    0.0041    1
   12    2   -1   -2   -0.1817   -0.0380   -0.1815   -0.0378    0.0002    1
   13   -2    2    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -2    3    0    0.5291   -0.1487    0.5323   -0.1459    0.0042    1
   15    1    0   -2   -0.3368   -0.2372   -0.3358   -0.2354    0.0021    1
   16   -1    1    1    0.1244    0.0349    0.1256    0.0356    0.0014    1
   17   -1    2    0    0.7276   -0.0791    0.7260   -0.0804    0.0020    1
   18   -1    3   -1    1.0605   -0.5094    1.0655   -0.4953    0.0150    1
   19   -1    1    2    0.0416    0.0272    0.0407    0.0272    0.0009    1
   20   -1    2    1    0.4407    0.1646    0.4436    0.1639    0.0030    1
   21    0    0   -1   -0.0352   -0.0609   -0.0357   -0.0605    0.0007    1
   22    0    1    1    0.2937    0.3301    0.2970    0.3320    0.0038    1
   23    1    0    1    0.0340    0.2659    0.0342    0.2676    0.0018    1

###            No.40                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0992    1.0930    1.0901  109.6822  109.6564  109.7275      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0918    1.0918    1.0918  109.5184  109.5184  109.5184      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0063    0.0063    0.0081    0.0289    0.0289    0.5079      0.0000         0.0132    0.0132
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5683    0.9642    0.0771)
 a2 = (    0.6145    0.3749   -0.8691)
 a3 = (   -0.3292    0.9091   -0.5866)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5685    0.9658    0.0786) (    0.0056    0.0035    0.0058)
 a2 = (    0.6124    0.3659   -0.8679) (    0.0056    0.0116    0.0038)
 a3 = (   -0.3329    0.8992   -0.5854) (    0.0080    0.0119    0.0044)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  175.7163  110.5610 -121.9879    0.3234    0.4137    0.3978
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0039      0.0021    0.0023    0.0115

# Number of computed bands
             77             68
# Figure of merit at the beginning and the end of the refinement
        34.7489        55.8410
# Chi-squares at the beginning and the end of the refinement
    0.0624    0.0192
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    2   -1    1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -1    1   -2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    2   -1    0   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    1   -1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    1   -2   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7    2   -2    1    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    1   -2    2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    1   -2   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2    1    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12    2    1   -2   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13   -1   -2    2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    0   -3    2    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    2    0   -1   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16   -1   -1    1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    0   -2    1    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    1   -3    1    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19   -2   -1    1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20   -1   -2    1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    1    0    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1   -1    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1    0   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7293   -0.0544   -0.7289   -0.0565    0.0021    1
    2    2   -1    1   -0.0132   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -1    1   -2   -0.0248    0.0852   -0.0241    0.0824    0.0029    1
    4    2   -1    0   -0.1959   -0.5868   -0.1976   -0.5890    0.0028    1
    5    1   -1    1    0.0572   -0.2261    0.0566   -0.2258    0.0007    1
    6    0    1   -2   -0.1041    0.1168   -0.1046    0.1173    0.0007    1
    7    2   -2    1    0.1200   -0.5970    0.1201   -0.5972    0.0002    1
    8    1   -2    2    0.1446   -0.2221    0.1441   -0.2219    0.0006    1
    9    1    1   -2   -0.1929    0.0484   -0.1940    0.0483    0.0011    1
   10    0   -1    1    0.2263   -0.1279    0.2267   -0.1283    0.0006    1
   11    1   -2    1    0.5356   -0.6136    0.5314   -0.6143    0.0042    1
   12    2    1   -2   -0.1815   -0.0381   -0.1815   -0.0378    0.0003    1
   13   -1   -2    2    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14    0   -3    2    0.5293   -0.1486    0.5323   -0.1459    0.0040    1
   15    2    0   -1   -0.3365   -0.2372   -0.3358   -0.2354    0.0019    1
   16   -1   -1    1    0.1246    0.0350    0.1256    0.0356    0.0012    1
   17    0   -2    1    0.7278   -0.0787    0.7260   -0.0804    0.0024    1
   18    1   -3    1    1.0611   -0.5088    1.0655   -0.4953    0.0142    1
   19   -2   -1    1    0.0418    0.0273    0.0407    0.0272    0.0011    1
   20   -1   -2    1    0.4406    0.1648    0.4436    0.1639    0.0031    1
   21    1    0    0   -0.0349   -0.0607   -0.0357   -0.0605    0.0008    1
   22   -1   -1    0    0.2936    0.3301    0.2970    0.3320    0.0039    1
   23   -1    0   -1    0.0342    0.2660    0.0342    0.2676    0.0017    1

###            No.41                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0907    1.0907    1.0901  109.5696  109.5309  109.1731      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0911    1.0911    1.0911  109.4679  109.4679  109.4679      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0045    0.0058    0.0190    0.0190    0.3628      0.0000         0.0094    0.0094
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9017    0.0699    0.6612)
 a2 = (    0.3318   -0.8970    0.5839)
 a3 = (    0.9462   -0.5357   -0.2833)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9022    0.0675    0.6642) (    0.0030    0.0074    0.0040)
 a2 = (    0.3343   -0.8975    0.5852) (    0.0082    0.0039    0.0043)
 a3 = (    0.9461   -0.5337   -0.2827) (    0.0077    0.0063    0.0053)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   66.2470  139.7154   64.2973    0.4358    0.2936    0.3915
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0041      0.0022    0.0020    0.0106

# Number of computed bands
             85             69
# Figure of merit at the beginning and the end of the refinement
        48.7903        55.7803
# Chi-squares at the beginning and the end of the refinement
    0.0433    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2   -2   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -1    2    1   -0.0253    0.0856   -0.0241    0.0824    0.0034    1
    4    2   -1   -1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    1   -1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    1    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    2   -1   -2    0.1189   -0.5953    0.1201   -0.5972    0.0022    1
    8    1   -1   -2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    0    1   -0.1923    0.0485   -0.1940    0.0483    0.0018    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    0   -2    0.5325   -0.6134    0.5314   -0.6143    0.0014    1
   12    2   -1    1   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13   -1    1   -2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    0    1   -3    0.5294   -0.1500    0.5323   -0.1459    0.0050    1
   15    2   -1    0   -0.3354   -0.2363   -0.3358   -0.2354    0.0010    1
   16   -1    1   -1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    0    1   -2    0.7280   -0.0814    0.7260   -0.0804    0.0023    1
   18    1    1   -3    1.0557   -0.5130    1.0655   -0.4953    0.0203    1
   19   -2    2   -1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20   -1    2   -2    0.4425    0.1646    0.4436    0.1639    0.0013    1
   21    1   -1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1    2   -1    0.2954    0.3313    0.2970    0.3320    0.0017    1
   23   -1    2    0    0.0342    0.2675    0.0342    0.2676    0.0002    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7287   -0.0548   -0.7289   -0.0565    0.0017    1
    2    2   -2   -1   -0.0132   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -1    2    1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    2   -1   -1   -0.1959   -0.5871   -0.1976   -0.5890    0.0026    1
    5    1   -1   -1    0.0575   -0.2263    0.0566   -0.2258    0.0011    1
    6    0    1    1   -0.1041    0.1166   -0.1046    0.1173    0.0008    1
    7    2   -1   -2    0.1204   -0.5970    0.1201   -0.5972    0.0003    1
    8    1   -1   -2    0.1449   -0.2220    0.1441   -0.2219    0.0008    1
    9    1    0    1   -0.1928    0.0484   -0.1940    0.0483    0.0012    1
   10    0    0   -1    0.2263   -0.1277    0.2267   -0.1283    0.0008    1
   11    1    0   -2    0.5351   -0.6132    0.5314   -0.6143    0.0038    1
   12    2   -1    1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -1    1   -2    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    0    1   -3    0.5289   -0.1488    0.5323   -0.1459    0.0044    1
   15    2   -1    0   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16   -1    1   -1    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    0    1   -2    0.7275   -0.0795    0.7260   -0.0804    0.0017    1
   18    1    1   -3    1.0595   -0.5100    1.0655   -0.4953    0.0159    1
   19   -2    2   -1    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20   -1    2   -2    0.4409    0.1645    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1    2   -1    0.2940    0.3303    0.2970    0.3320    0.0034    1
   23   -1    2    0    0.0339    0.2662    0.0342    0.2676    0.0015    1

###            No.42                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0935    1.0888    1.0880  109.2712  109.5118  109.4048      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0911    1.0911    1.0911  109.4681  109.4681  109.4681      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0045    0.0058    0.0190    0.0190    0.3628      0.0000         0.0094    0.0094
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3316    0.8929   -0.5859)
 a2 = (   -0.9004   -0.0721   -0.6647)
 a3 = (   -0.9457    0.5354    0.2831)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3342    0.8975   -0.5852) (    0.0082    0.0039    0.0043)
 a2 = (   -0.9022   -0.0675   -0.6643) (    0.0030    0.0074    0.0040)
 a3 = (   -0.9461    0.5337    0.2827) (    0.0077    0.0063    0.0053)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -126.2558   40.2846 -115.7026    0.4359    0.2936    0.3915
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0040      0.0022    0.0020    0.0106

# Number of computed bands
             87             69
# Figure of merit at the beginning and the end of the refinement
        43.7704        55.7665
# Chi-squares at the beginning and the end of the refinement
    0.0379    0.0203
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7335   -0.0587   -0.7289   -0.0565    0.0051    1
    2    2   -2    1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -2    1   -1   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4    1   -2    1   -0.1956   -0.5876   -0.1976   -0.5890    0.0024    1
    5    1   -1    1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6   -1    0   -1   -0.1054    0.1178   -0.1046    0.1173    0.0009    1
    7    1   -2    2    0.1196   -0.5973    0.1201   -0.5972    0.0005    1
    8    1   -1    2    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    0   -1   -1   -0.1944    0.0488   -0.1940    0.0483    0.0006    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -1    2    0.5330   -0.6148    0.5314   -0.6143    0.0017    1
   12    1   -2   -1   -0.1827   -0.0380   -0.1815   -0.0378    0.0012    1
   13   -1    1    2    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -1    0    3    0.5299   -0.1509    0.5323   -0.1459    0.0055    1
   15    1   -2    0   -0.3377   -0.2384   -0.3358   -0.2354    0.0035    1
   16   -1    1    1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -1    0    2    0.7292   -0.0832    0.7260   -0.0804    0.0042    1
   18   -1   -1    3    1.0555   -0.5165    1.0655   -0.4953    0.0235    1
   19   -2    2    1    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -2    1    2    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21    1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -2    1    0    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7287   -0.0548   -0.7289   -0.0565    0.0017    1
    2    2   -2    1   -0.0132   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -2    1   -1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    1   -2    1   -0.1959   -0.5871   -0.1976   -0.5890    0.0025    1
    5    1   -1    1    0.0575   -0.2263    0.0566   -0.2258    0.0011    1
    6   -1    0   -1   -0.1041    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -2    2    0.1204   -0.5970    0.1201   -0.5972    0.0003    1
    8    1   -1    2    0.1449   -0.2220    0.1441   -0.2219    0.0008    1
    9    0   -1   -1   -0.1928    0.0484   -0.1940    0.0483    0.0012    1
   10    0    0    1    0.2263   -0.1277    0.2267   -0.1283    0.0008    1
   11    0   -1    2    0.5351   -0.6132    0.5314   -0.6143    0.0038    1
   12    1   -2   -1   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -1    1    2    0.1970   -0.0085    0.1981   -0.0091    0.0013    1
   14   -1    0    3    0.5289   -0.1488    0.5323   -0.1459    0.0044    1
   15    1   -2    0   -0.3368   -0.2371   -0.3358   -0.2354    0.0020    1
   16   -1    1    1    0.1244    0.0350    0.1256    0.0356    0.0014    1
   17   -1    0    2    0.7275   -0.0795    0.7260   -0.0804    0.0016    1
   18   -1   -1    3    1.0595   -0.5100    1.0655   -0.4953    0.0159    1
   19   -2    2    1    0.0416    0.0273    0.0407    0.0272    0.0008    1
   20   -2    1    2    0.4409    0.1644    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -2    1    1    0.2940    0.3303    0.2970    0.3320    0.0034    1
   23   -2    1    0    0.0339    0.2662    0.0342    0.2676    0.0015    1

###            No.50                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1112    1.0838    1.0838  109.1731  110.5849  109.0250      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0904    1.0904    1.0904  109.4162  109.4162  109.4162      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0069    0.0069    0.0088    0.0264    0.0264    0.5555      0.0000         0.0144    0.0144
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9343   -0.5289   -0.2797)
 a2 = (    0.9074    0.0703    0.6654)
 a3 = (    0.3519   -0.9129    0.5823)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9445   -0.5339   -0.2833) (    0.0033    0.0056    0.0059)
 a2 = (    0.9009    0.0686    0.6641) (    0.0039    0.0129    0.0047)
 a3 = (    0.3316   -0.8969    0.5857) (    0.0072    0.0137    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.9667   59.9627  -20.7974    0.3969    0.4204    0.4358
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0040      0.0021    0.0023    0.0119

# Number of computed bands
            400             71
# Figure of merit at the beginning and the end of the refinement
         3.3930        55.5793
# Chi-squares at the beginning and the end of the refinement
    0.2361    0.0105
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    2   -2   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    1   -1    2   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4   -1    2   -1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5   -1    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    0    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -2    2   -1    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8   -2    1   -1    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9    1    1    0   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1    0    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    2   -1   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13   -2   -1    1    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14   -3    0    1    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    0    2   -1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16   -1   -1    1    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17   -2    0    1    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18   -5    1    2    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19   -1   -2    2    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20   -2   -1    2    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    0    1   -1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22   -1   -1    2    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    0   -1    2    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7295   -0.0559   -0.7289   -0.0565    0.0009    1
    2   -1    2   -2   -0.0135   -0.1771   -0.0133   -0.1793    0.0023    1
    3    1   -1    2   -0.0248    0.0853   -0.0241    0.0824    0.0030    1
    4   -1    2   -1   -0.1959   -0.5860   -0.1976   -0.5890    0.0034    1
    5   -1    1   -1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    1    0    1   -0.1041    0.1169   -0.1046    0.1173    0.0006    1
    7   -2    2   -1    0.1193   -0.5969    0.1201   -0.5972    0.0008    1
    8   -2    1   -1    0.1447   -0.2226    0.1441   -0.2219    0.0009    1
    9    1    1    0   -0.1928    0.0484   -0.1940    0.0483    0.0012    1
   10   -1    0    0    0.2268   -0.1283    0.2267   -0.1283    0.0001    1
   11   -2    1    0    0.5345   -0.6145    0.5314   -0.6143    0.0030    1
   12    1    2   -1   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13   -2   -1    1    0.1979   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3    0    1    0.5299   -0.1495    0.5323   -0.1459    0.0043    1
   15    0    2   -1   -0.3361   -0.2370   -0.3358   -0.2354    0.0016    1
   16   -1   -1    1    0.1251    0.0352    0.1256    0.0356    0.0007    1
   17   -2    0    1    0.7285   -0.0802    0.7260   -0.0804    0.0025    1
   18   -3    1    1    1.0594   -0.5119    1.0655   -0.4953    0.0178    1
   19   -1   -2    2    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -2   -1    2    0.4417    0.1645    0.4436    0.1639    0.0020    1
   21    0    1   -1   -0.0350   -0.0603   -0.0357   -0.0605    0.0007    1
   22   -1   -1    2    0.2948    0.3304    0.2970    0.3320    0.0027    1
   23    0   -1    2    0.0345    0.2666    0.0342    0.2676    0.0011    1

###            No.52                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0917    1.0904    1.0919  109.6396  109.6414  109.1811      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0913    1.0913    1.0913  109.4819  109.4819  109.4819      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0044    0.0044    0.0057    0.0192    0.0192    0.3580      0.0000         0.0093    0.0093
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6127    0.3635   -0.8660)
 a2 = (   -0.3343    0.8996   -0.5825)
 a3 = (    0.5696    0.9663    0.0777)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6119    0.3644   -0.8679) (    0.0048    0.0065    0.0032)
 a2 = (   -0.3340    0.8980   -0.5851) (    0.0082    0.0038    0.0043)
 a3 = (    0.5681    0.9651    0.0791) (    0.0073    0.0071    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -101.3506   52.0419  138.8538    0.4179    0.2895    0.3954
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0040      0.0022    0.0020    0.0106

# Number of computed bands
             83             69
# Figure of merit at the beginning and the end of the refinement
        46.4461        55.5523
# Chi-squares at the beginning and the end of the refinement
    0.0314    0.0200
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2   -1    1    2   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    1   -2   -1   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4   -1    0    2   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5   -1    1    1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1   -2    0   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7   -2    1    2    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8   -2    2    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1   -2    1   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1    1    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12    1   -2    2   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13   -2    2   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3    2    0    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15    0   -1    2   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1    0    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -3    1    1    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1    1   -2    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -2    1   -1    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21    0    0    1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1    0   -1    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23    0   -1   -1    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7288   -0.0546   -0.7289   -0.0565    0.0019    1
    2   -1    1    2   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1   -2   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    0    2   -0.1960   -0.5872   -0.1976   -0.5890    0.0024    1
    5   -1    1    1    0.0575   -0.2265    0.0566   -0.2258    0.0011    1
    6    1   -2    0   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -2    1    2    0.1203   -0.5972    0.1201   -0.5972    0.0002    1
    8   -2    2    1    0.1449   -0.2222    0.1441   -0.2219    0.0009    1
    9    1   -2    1   -0.1928    0.0484   -0.1940    0.0483    0.0012    1
   10   -1    1    0    0.2263   -0.1278    0.2267   -0.1283    0.0007    1
   11   -2    1    1    0.5354   -0.6134    0.5314   -0.6143    0.0040    1
   12    1   -2    2   -0.1816   -0.0379   -0.1815   -0.0378    0.0002    1
   13   -2    2   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3    2    0    0.5291   -0.1487    0.5323   -0.1459    0.0043    1
   15    0   -1    2   -0.3368   -0.2372   -0.3358   -0.2354    0.0021    1
   16   -1    1   -1    0.1244    0.0350    0.1256    0.0356    0.0014    1
   17   -2    1    0    0.7276   -0.0793    0.7260   -0.0804    0.0019    1
   18   -3    1    1    1.0601   -0.5097    1.0655   -0.4953    0.0154    1
   19   -1    1   -2    0.0416    0.0272    0.0407    0.0272    0.0008    1
   20   -2    1   -1    0.4408    0.1645    0.4436    0.1639    0.0029    1
   21    0    0    1   -0.0352   -0.0610   -0.0357   -0.0605    0.0006    1
   22   -1    0   -1    0.2938    0.3302    0.2970    0.3320    0.0036    1
   23    0   -1   -1    0.0339    0.2660    0.0342    0.2676    0.0017    1

###            No.59                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0901    1.0823    1.0992  109.6289  109.6564  108.9938      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0902    1.0902    1.0902  109.4044  109.4044  109.4044      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0062    0.0062    0.0079    0.0231    0.0231    0.4967      0.0000         0.0129    0.0129
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9436    0.5342    0.2825)
 a2 = (   -0.6145   -0.3749    0.8691)
 a3 = (   -0.0461    0.5893    0.9462)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9451    0.5331    0.2817) (    0.0032    0.0054    0.0058)
 a2 = (   -0.6098   -0.3660    0.8666) (    0.0053    0.0114    0.0040)
 a3 = (   -0.0412    0.6002    0.9460) (    0.0049    0.0112    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   18.5874   52.0158  138.8802    0.3496    0.4170    0.3781
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0006   -0.0005    0.0032      0.0021    0.0023    0.0114

# Number of computed bands
             77             58
# Figure of merit at the beginning and the end of the refinement
        34.7489        55.0641
# Chi-squares at the beginning and the end of the refinement
    0.1131    0.0235
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    1   -2    2   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -2    2   -1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    0   -1    2   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    1   -1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    1    0   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7    1   -1    2    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    2   -1    1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -2    0    1   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    0    1    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12   -2   -1    2   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    2    1   -1    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    2    1    0    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15   -1   -1    2   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    1    1   -1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    1    0    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    1    1    1    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19    1    2   -2    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    2   -1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0   -1    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    0    2   -1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1    2   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7279   -0.0545   -0.7289   -0.0565    0.0022    1
    2    1   -2    2   -0.0132   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -2    2   -1   -0.0247    0.0851   -0.0241    0.0824    0.0027    1
    4    0   -1    2   -0.1967   -0.5865   -0.1976   -0.5890    0.0026    1
    5    1   -1    1    0.0573   -0.2262    0.0566   -0.2258    0.0009    1
    6   -2    1    0   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    1   -1    2    0.1194   -0.5974    0.1201   -0.5972    0.0008    1
    8    2   -1    1    0.1447   -0.2220    0.1441   -0.2219    0.0006    1
    9   -2    0    1   -0.1933    0.0484   -0.1940    0.0483    0.0007    1
   10    1    0    0    0.2260   -0.1276    0.2267   -0.1283    0.0010    1
   11    1    0    1    0.5354   -0.6149    0.5314   -0.6143    0.0040    1
   12   -2   -1    2   -0.1820   -0.0382   -0.1815   -0.0378    0.0007    1
   13    2    1   -1    0.1965   -0.0084    0.1981   -0.0091    0.0018    1
   14    2    1    0    0.5293   -0.1485    0.5323   -0.1459    0.0040    1
   15   -1   -1    2   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    1    1   -1    0.1238    0.0348    0.1256    0.0356    0.0020    1
   17    1    1    0    0.7283   -0.0787    0.7260   -0.0804    0.0029    1
   18    1    1    1    1.0630   -0.5112    1.0655   -0.4953    0.0161    1
   19    1    2   -2    0.0412    0.0268    0.0407    0.0272    0.0006    1
   20    1    2   -1    0.4402    0.1649    0.4436    0.1639    0.0036    1
   21    0   -1    1   -0.0352   -0.0613   -0.0357   -0.0605    0.0009    1
   22    0    2   -1    0.2930    0.3300    0.2970    0.3320    0.0045    1
   23   -1    2   -1    0.0339    0.2656    0.0342    0.2676    0.0021    1

###            No.82                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0952    1.0815    1.1011  109.7247  109.8924  109.1113      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0918    1.0918    1.0918  109.5239  109.5239  109.5239      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0063    0.0063    0.0082    0.0294    0.0294    0.5120      0.0000         0.0133    0.0133
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9440   -0.5344   -0.2826)
 a2 = (    0.9152    0.0764    0.6652)
 a3 = (    0.3474   -0.8868    0.5878)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9473   -0.5341   -0.2824) (    0.0032    0.0055    0.0058)
 a2 = (    0.9040    0.0661    0.6639) (    0.0037    0.0122    0.0045)
 a3 = (    0.3369   -0.8981    0.5850) (    0.0068    0.0127    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.8651   60.0296  -20.8025    0.3825    0.3838    0.4350
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0032      0.0021    0.0023    0.0114

# Number of computed bands
             69             73
# Figure of merit at the beginning and the end of the refinement
        23.4273        51.9915
# Chi-squares at the beginning and the end of the refinement
    0.2972    0.0224
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7218   -0.0603   -0.7289   -0.0565    0.0080    1
    2   -1    2   -2   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    1   -1    2   -0.0265    0.0875   -0.0241    0.0824    0.0056    1
    4   -1    2   -1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5   -1    1   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1    0    1   -0.1069    0.1176   -0.1046    0.1173    0.0023    1
    7   -2    2   -1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8   -2    1   -1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1    1    0   -0.1940    0.0478   -0.1940    0.0483    0.0005    1
   10   -1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1    0    0.5301   -0.6241    0.5314   -0.6143    0.0099    1
   12    1    2   -1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13   -2   -1    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3    0    1    0.5334   -0.1538    0.5323   -0.1459    0.0080    1
   15    0    2   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    0    1    0.7381   -0.0872    0.7260   -0.0804    0.0139    1
   18   -3    1    1    1.0664   -0.5388    1.0655   -0.4953    0.0436    1
   19   -1   -2    2    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -2   -1    2    0.4486    0.1662    0.4436    0.1639    0.0055    1
   21    0    1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1    2    0.2991    0.3380    0.2970    0.3320    0.0064    1
   23    0   -1    2    0.0324    0.2720    0.0342    0.2676    0.0047    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7276   -0.0536   -0.7289   -0.0565    0.0032    1
    2   -1    2   -2   -0.0130   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1   -1    2   -0.0251    0.0851   -0.0241    0.0824    0.0028    1
    4   -1    2   -1   -0.1962   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -1    1   -1    0.0577   -0.2261    0.0566   -0.2258    0.0012    1
    6    1    0    1   -0.1042    0.1164   -0.1046    0.1173    0.0010    1
    7   -2    2   -1    0.1209   -0.5971    0.1201   -0.5972    0.0008    1
    8   -2    1   -1    0.1450   -0.2216    0.1441   -0.2219    0.0009    1
    9    1    1    0   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10   -1    0    0    0.2259   -0.1275    0.2267   -0.1283    0.0012    1
   11   -2    1    0    0.5354   -0.6129    0.5314   -0.6143    0.0042    1
   12    1    2   -1   -0.1816   -0.0377   -0.1815   -0.0378    0.0001    1
   13   -2   -1    1    0.1969   -0.0087    0.1981   -0.0091    0.0014    1
   14   -3    0    1    0.5286   -0.1488    0.5323   -0.1459    0.0047    1
   15    0    2   -1   -0.3372   -0.2368   -0.3358   -0.2354    0.0020    1
   16   -1   -1    1    0.1244    0.0348    0.1256    0.0356    0.0014    1
   17   -2    0    1    0.7275   -0.0798    0.7260   -0.0804    0.0016    1
   18   -3    1    1    1.0602   -0.5102    1.0655   -0.4953    0.0159    1
   19   -1   -2    2    0.0417    0.0272    0.0407    0.0272    0.0009    1
   20   -2   -1    2    0.4413    0.1644    0.4436    0.1639    0.0024    1
   21    0    1   -1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1   -1    2    0.2942    0.3310    0.2970    0.3320    0.0029    1
   23    0   -1    2    0.0334    0.2665    0.0342    0.2676    0.0014    1

###            No.83                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0992    1.0930    1.0823  109.1350  109.6289  109.7275      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0918    1.0918    1.0918  109.5239  109.5239  109.5239      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0063    0.0063    0.0082    0.0294    0.0294    0.5120      0.0000         0.0133    0.0133
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8975   -0.0551   -0.6637)
 a2 = (   -0.9436    0.5342    0.2825)
 a3 = (   -0.3292    0.9091   -0.5866)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9040   -0.0661   -0.6639) (    0.0037    0.0122    0.0045)
 a2 = (   -0.9473    0.5341    0.2824) (    0.0032    0.0055    0.0058)
 a3 = (   -0.3369    0.8981   -0.5850) (    0.0068    0.0127    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -43.0056  119.9704  159.1975    0.4517    0.3838    0.4350
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0032      0.0021    0.0023    0.0114

# Number of computed bands
             77             73
# Figure of merit at the beginning and the end of the refinement
        34.7489        51.9906
# Chi-squares at the beginning and the end of the refinement
    0.1789    0.0224
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2   -2    1    2   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1   -1   -2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -2    1    1   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5   -1    1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1   -1   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7   -2    2    1    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8   -1    2    1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -1    0   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    2    0    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12   -2   -1    1   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    1    2   -1    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    0    3   -1    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15   -2    0    1   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    1    1   -1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    0    2   -1    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18   -1    3   -1    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19    2    1   -2    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    2   -2    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21   -1    0    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    1   -2    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    1    0   -2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7276   -0.0536   -0.7289   -0.0565    0.0032    1
    2   -2    1    2   -0.0130   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1   -1   -2   -0.0251    0.0851   -0.0241    0.0824    0.0028    1
    4   -2    1    1   -0.1962   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -1    1    1    0.0577   -0.2261    0.0566   -0.2258    0.0012    1
    6    0   -1   -1   -0.1042    0.1164   -0.1046    0.1173    0.0010    1
    7   -2    2    1    0.1209   -0.5971    0.1201   -0.5972    0.0008    1
    8   -1    2    1    0.1450   -0.2216    0.1441   -0.2219    0.0009    1
    9   -1   -1    0   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10    0    1    0    0.2259   -0.1275    0.2267   -0.1283    0.0012    1
   11   -1    2    0    0.5354   -0.6129    0.5314   -0.6143    0.0042    1
   12   -2   -1    1   -0.1816   -0.0377   -0.1815   -0.0378    0.0001    1
   13    1    2   -1    0.1969   -0.0087    0.1981   -0.0091    0.0014    1
   14    0    3   -1    0.5286   -0.1488    0.5323   -0.1459    0.0047    1
   15   -2    0    1   -0.3372   -0.2368   -0.3358   -0.2354    0.0020    1
   16    1    1   -1    0.1244    0.0348    0.1256    0.0356    0.0014    1
   17    0    2   -1    0.7275   -0.0798    0.7260   -0.0804    0.0016    1
   18   -1    3   -1    1.0602   -0.5102    1.0655   -0.4953    0.0159    1
   19    2    1   -2    0.0417    0.0272    0.0407    0.0272    0.0009    1
   20    1    2   -2    0.4413    0.1644    0.4436    0.1639    0.0024    1
   21   -1    0    1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    1   -2    0.2942    0.3310    0.2970    0.3320    0.0029    1
   23    1    0   -2    0.0334    0.2665    0.0342    0.2676    0.0014    1

###            No.89                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1011    1.0869    1.0952  109.7044  109.8924  109.5336      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0908    1.0908    1.0908  109.4451  109.4451  109.4451      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0064    0.0064    0.0083    0.0261    0.0261    0.5197      0.0000         0.0135    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5677   -0.9632   -0.0774)
 a2 = (   -0.9152   -0.0764   -0.6652)
 a3 = (    0.0288   -0.6108   -0.9478)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5676   -0.9646   -0.0787) (    0.0056    0.0035    0.0059)
 a2 = (   -0.9020   -0.0663   -0.6639) (    0.0040    0.0121    0.0048)
 a3 = (    0.0446   -0.6002   -0.9468) (    0.0056    0.0112    0.0073)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -173.7720  139.7384   64.2879    0.4410    0.4354    0.3966
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0038      0.0021    0.0023    0.0115

# Number of computed bands
             69             88
# Figure of merit at the beginning and the end of the refinement
        23.4273        49.4011
# Chi-squares at the beginning and the end of the refinement
    0.2401    0.0196
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7218   -0.0603   -0.7289   -0.0565    0.0080    1
    2   -2    1   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    2   -2    1   -0.0265    0.0875   -0.0241    0.0824    0.0056    1
    4   -1    0   -1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5   -1    1   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1   -2    1   -0.1069    0.1176   -0.1046    0.1173    0.0023    1
    7   -1    1   -2    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8   -1    2   -2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    0   -2    1   -0.1940    0.0478   -0.1940    0.0483    0.0005    1
   10    0    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0    1   -2    0.5301   -0.6241    0.5314   -0.6143    0.0099    1
   12   -1   -2    1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    1    2   -2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1    2   -3    0.5334   -0.1538    0.5323   -0.1459    0.0080    1
   15   -1   -1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1   -2    0.7381   -0.0872    0.7260   -0.0804    0.0139    1
   18    1    1   -3    1.0664   -0.5388    1.0655   -0.4953    0.0436    1
   19    2    1   -1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    2    1   -2    0.4486    0.1662    0.4436    0.1639    0.0055    1
   21   -1    0    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    2    0   -1    0.2991    0.3380    0.2970    0.3320    0.0064    1
   23    2   -1    0    0.0324    0.2720    0.0342    0.2676    0.0047    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0540   -0.7289   -0.0565    0.0025    1
    2   -2    1   -1   -0.0132   -0.1774   -0.0133   -0.1793    0.0019    1
    3    2   -2    1   -0.0250    0.0850   -0.0241    0.0824    0.0028    1
    4   -1    0   -1   -0.1959   -0.5876   -0.1976   -0.5890    0.0022    1
    5   -1    1   -1    0.0575   -0.2263    0.0566   -0.2258    0.0011    1
    6    1   -2    1   -0.1041    0.1164   -0.1046    0.1173    0.0010    1
    7   -1    1   -2    0.1208   -0.5971    0.1201   -0.5972    0.0007    1
    8   -1    2   -2    0.1449   -0.2220    0.1441   -0.2219    0.0008    1
    9    0   -2    1   -0.1926    0.0484   -0.1940    0.0483    0.0015    1
   10    0    1   -1    0.2262   -0.1278    0.2267   -0.1283    0.0007    1
   11    0    1   -2    0.5356   -0.6127    0.5314   -0.6143    0.0044    1
   12   -1   -2    1   -0.1814   -0.0378   -0.1815   -0.0378    0.0001    1
   13    1    2   -2    0.1972   -0.0086    0.1981   -0.0091    0.0010    1
   14    1    2   -3    0.5289   -0.1488    0.5323   -0.1459    0.0045    1
   15   -1   -1    0   -0.3370   -0.2370   -0.3358   -0.2354    0.0020    1
   16    1    1   -1    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1    1   -2    0.7274   -0.0795    0.7260   -0.0804    0.0016    1
   18    1    1   -3    1.0596   -0.5089    1.0655   -0.4953    0.0149    1
   19    2    1   -1    0.0418    0.0274    0.0407    0.0272    0.0011    1
   20    2    1   -2    0.4412    0.1644    0.4436    0.1639    0.0025    1
   21   -1    0    0   -0.0351   -0.0607   -0.0357   -0.0605    0.0006    1
   22    2    0   -1    0.2942    0.3306    0.2970    0.3320    0.0031    1
   23    2   -1    0    0.0338    0.2663    0.0342    0.2676    0.0014    1

###            No.90                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0901    1.0823    1.0930  109.1350  109.6822  108.9938      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0908    1.0908    1.0908  109.4438  109.4438  109.4438      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0064    0.0064    0.0083    0.0260    0.0260    0.5197      0.0000         0.0135    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8975    0.0551    0.6637)
 a2 = (    0.5683    0.9642    0.0771)
 a3 = (   -0.0461    0.5893    0.9462)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9019    0.0663    0.6639) (    0.0040    0.0121    0.0048)
 a2 = (    0.5675    0.9646    0.0786) (    0.0056    0.0035    0.0059)
 a3 = (   -0.0447    0.6002    0.9468) (    0.0056    0.0112    0.0073)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  113.7061   40.2625 -115.7130    0.5411    0.4354    0.3966
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0038      0.0021    0.0023    0.0115

# Number of computed bands
             77             88
# Figure of merit at the beginning and the end of the refinement
        34.7489        49.3929
# Chi-squares at the beginning and the end of the refinement
    0.0567    0.0196
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2   -1    2    1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    2   -2   -1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    0    1    1   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5   -1    1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7   -1    1    2    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8   -2    1    2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    2    0   -1   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0    2    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12    2    1   -1   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13   -2   -1    2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14   -2   -1    3    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    1    1    0   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16   -1   -1    1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17   -1   -1    2    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18   -1   -1    3    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19   -1   -2    1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20   -1   -2    2    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    0   -2    1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    1   -2    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7289   -0.0540   -0.7289   -0.0565    0.0025    1
    2   -1    2    1   -0.0132   -0.1774   -0.0133   -0.1793    0.0019    1
    3    2   -2   -1   -0.0251    0.0850   -0.0241    0.0824    0.0028    1
    4    0    1    1   -0.1958   -0.5876   -0.1976   -0.5890    0.0022    1
    5   -1    1    1    0.0575   -0.2263    0.0566   -0.2258    0.0011    1
    6    2   -1   -1   -0.1041    0.1164   -0.1046    0.1173    0.0010    1
    7   -1    1    2    0.1208   -0.5971    0.1201   -0.5972    0.0007    1
    8   -2    1    2    0.1449   -0.2220    0.1441   -0.2219    0.0008    1
    9    2    0   -1   -0.1926    0.0484   -0.1940    0.0483    0.0015    1
   10   -1    0    1    0.2262   -0.1278    0.2267   -0.1283    0.0007    1
   11   -1    0    2    0.5355   -0.6127    0.5314   -0.6143    0.0044    1
   12    2    1   -1   -0.1814   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -2   -1    2    0.1972   -0.0086    0.1981   -0.0091    0.0010    1
   14   -2   -1    3    0.5288   -0.1488    0.5323   -0.1459    0.0045    1
   15    1    1    0   -0.3370   -0.2370   -0.3358   -0.2354    0.0020    1
   16   -1   -1    1    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1   -1    2    0.7273   -0.0795    0.7260   -0.0804    0.0016    1
   18   -1   -1    3    1.0595   -0.5088    1.0655   -0.4953    0.0149    1
   19   -1   -2    1    0.0418    0.0274    0.0407    0.0272    0.0011    1
   20   -1   -2    2    0.4411    0.1644    0.4436    0.1639    0.0025    1
   21    0    1    0   -0.0351   -0.0607   -0.0357   -0.0605    0.0006    1
   22    0   -2    1    0.2942    0.3306    0.2970    0.3320    0.0031    1
   23    1   -2    0    0.0338    0.2663    0.0342    0.2676    0.0014    1

###            No.91                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0932    1.0892    1.0912  109.4513  109.5555  109.4220      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0913    1.0913    1.0913  109.4825  109.4825  109.4825      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0045    0.0058    0.0195    0.0195    0.3624      0.0000         0.0094    0.0094
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6101   -0.3595    0.8686)
 a2 = (   -0.0413    0.6055    0.9462)
 a3 = (   -0.9456    0.5354    0.2831)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6121   -0.3636    0.8681) (    0.0047    0.0065    0.0033)
 a2 = (   -0.0443    0.6012    0.9471) (    0.0070    0.0043    0.0027)
 a3 = (   -0.9463    0.5338    0.2829) (    0.0078    0.0063    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   55.6991  110.6068 -122.0018    0.3432    0.3043    0.3683
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0041      0.0022    0.0020    0.0106

# Number of computed bands
             73             89
# Figure of merit at the beginning and the end of the refinement
        47.9565        49.2772
# Chi-squares at the beginning and the end of the refinement
    0.0429    0.0201
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    2    1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    2   -1   -2   -0.0257    0.0863   -0.0241    0.0824    0.0041    1
    4   -1    2    0   -0.1968   -0.5859   -0.1976   -0.5890    0.0032    1
    5   -1    1    1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1    0   -2   -0.1051    0.1173   -0.1046    0.1173    0.0005    1
    7   -1    2    1    0.1186   -0.5971    0.1201   -0.5972    0.0015    1
    8   -1    1    2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    0    1   -2   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0    1    1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12   -1    2   -2   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13    1   -1    2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1    0    2    0.5307   -0.1509    0.5323   -0.1459    0.0052    1
   15   -1    2   -1   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16    1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    0    1    0.7309   -0.0827    0.7260   -0.0804    0.0054    1
   18    1    1    1    1.0599   -0.5185    1.0655   -0.4953    0.0240    1
   19    2   -2    1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    2   -1    1    0.4443    0.1650    0.4436    0.1639    0.0014    1
   21   -1    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    2   -1    0    0.2966    0.3333    0.2970    0.3320    0.0013    1
   23    2   -1   -1    0.0337    0.2689    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7288   -0.0548   -0.7289   -0.0565    0.0017    1
    2   -2    2    1   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    2   -1   -2   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -1    2    0   -0.1958   -0.5873   -0.1976   -0.5890    0.0025    1
    5   -1    1    1    0.0575   -0.2264    0.0566   -0.2258    0.0012    1
    6    1    0   -2   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -1    2    1    0.1206   -0.5970    0.1201   -0.5972    0.0005    1
    8   -1    1    2    0.1450   -0.2220    0.1441   -0.2219    0.0009    1
    9    0    1   -2   -0.1927    0.0485   -0.1940    0.0483    0.0013    1
   10    0    0    1    0.2263   -0.1277    0.2267   -0.1283    0.0008    1
   11    0    1    1    0.5351   -0.6129    0.5314   -0.6143    0.0039    1
   12   -1    2   -2   -0.1816   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1   -1    2    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    1    0    2    0.5288   -0.1488    0.5323   -0.1459    0.0045    1
   15   -1    2   -1   -0.3368   -0.2371   -0.3358   -0.2354    0.0020    1
   16    1   -1    1    0.1245    0.0350    0.1256    0.0356    0.0013    1
   17    1    0    1    0.7273   -0.0797    0.7260   -0.0804    0.0014    1
   18    1    1    1    1.0589   -0.5098    1.0655   -0.4953    0.0159    1
   19    2   -2    1    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    2   -1    1    0.4410    0.1643    0.4436    0.1639    0.0026    1
   21   -1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2   -1    0    0.2942    0.3304    0.2970    0.3320    0.0033    1
   23    2   -1   -1    0.0339    0.2662    0.0342    0.2676    0.0015    1

###            No.96                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0938    1.0901    1.0979  109.7774  109.8357  109.4110      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0913    1.0913    1.0913  109.4827  109.4827  109.4827      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0045    0.0058    0.0195    0.0195    0.3624      0.0000         0.0094    0.0094
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0550   -0.6040   -0.9490)
 a2 = (    0.6234    0.3603   -0.8703)
 a3 = (    0.9478   -0.5342   -0.2844)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0443   -0.6012   -0.9472) (    0.0070    0.0043    0.0027)
 a2 = (    0.6121    0.3636   -0.8681) (    0.0047    0.0065    0.0033)
 a3 = (    0.9463   -0.5338   -0.2829) (    0.0078    0.0063    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -115.6695   69.3934   57.9979    0.3290    0.3043    0.3683
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0041      0.0022    0.0020    0.0106

# Number of computed bands
             95             89
# Figure of merit at the beginning and the end of the refinement
        36.0330        49.2273
# Chi-squares at the beginning and the end of the refinement
    0.0505    0.0201
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7399   -0.0578   -0.7289   -0.0565    0.0110    1
    2   -2    2   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1   -2    2   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4   -2    1    0   -0.1937   -0.5919   -0.1976   -0.5890    0.0048    1
    5   -1    1   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    0   -1    2   -0.1048    0.1177   -0.1046    0.1173    0.0005    1
    7   -2    1   -1    0.1237   -0.5985    0.1201   -0.5972    0.0038    1
    8   -1    1   -2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    0    2   -0.1942    0.0490   -0.1940    0.0483    0.0007    1
   10    0    0   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    0   -1    0.5375   -0.6100    0.5314   -0.6143    0.0074    1
   12   -2    1    2   -0.1826   -0.0379   -0.1815   -0.0378    0.0011    1
   13    1   -1   -2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    0   -1   -2    0.5295   -0.1488    0.5323   -0.1459    0.0041    1
   15   -2    1    1   -0.3389   -0.2398   -0.3358   -0.2354    0.0054    1
   16    1   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -1   -1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -1   -1   -1    1.0527   -0.5035    1.0655   -0.4953    0.0152    1
   19    2   -2   -1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    1   -2   -1    0.4425    0.1635    0.4436    0.1639    0.0011    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -2    0    0.2972    0.3303    0.2970    0.3320    0.0017    1
   23    1   -2    1    0.0352    0.2683    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7288   -0.0548   -0.7289   -0.0565    0.0017    1
    2   -2    2   -1   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1   -2    2   -0.0249    0.0849   -0.0241    0.0824    0.0027    1
    4   -2    1    0   -0.1958   -0.5873   -0.1976   -0.5890    0.0024    1
    5   -1    1   -1    0.0575   -0.2264    0.0566   -0.2258    0.0012    1
    6    0   -1    2   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -2    1   -1    0.1206   -0.5970    0.1201   -0.5972    0.0005    1
    8   -1    1   -2    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9   -1    0    2   -0.1927    0.0485   -0.1940    0.0483    0.0013    1
   10    0    0   -1    0.2263   -0.1277    0.2267   -0.1283    0.0008    1
   11   -1    0   -1    0.5351   -0.6129    0.5314   -0.6143    0.0039    1
   12   -2    1    2   -0.1816   -0.0378   -0.1815   -0.0378    0.0001    1
   13    1   -1   -2    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    0   -1   -2    0.5288   -0.1488    0.5323   -0.1459    0.0045    1
   15   -2    1    1   -0.3369   -0.2371   -0.3358   -0.2354    0.0020    1
   16    1   -1   -1    0.1245    0.0350    0.1256    0.0356    0.0013    1
   17    0   -1   -1    0.7273   -0.0797    0.7260   -0.0804    0.0014    1
   18   -1   -1   -1    1.0590   -0.5098    1.0655   -0.4953    0.0159    1
   19    2   -2   -1    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    1   -2   -1    0.4410    0.1643    0.4436    0.1639    0.0026    1
   21   -1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -2    0    0.2941    0.3304    0.2970    0.3320    0.0033    1
   23    1   -2    1    0.0339    0.2662    0.0342    0.2676    0.0015    1

###            No.113                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0942    1.0931    1.0876  109.3885  109.5045  109.6281      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0934    1.0934    1.0934  109.6404  109.6404  109.6404      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0071    0.0071    0.0092    0.0391    0.0391    0.5743      0.0000         0.0149    0.0149
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5680   -0.9637   -0.0786)
 a2 = (    0.3303   -0.8983    0.5851)
 a3 = (   -0.6169   -0.3644    0.8693)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5699   -0.9681   -0.0774) (    0.0056    0.0034    0.0056)
 a2 = (    0.3286   -0.9035    0.5862) (    0.0147    0.0051    0.0046)
 a3 = (   -0.6143   -0.3709    0.8678) (    0.0140    0.0056    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -6.0951   40.3708 -115.8351    0.4690    0.4569    0.4654
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0008    0.0039      0.0023    0.0020    0.0109

# Number of computed bands
             95             75
# Figure of merit at the beginning and the end of the refinement
        42.4242        46.9645
# Chi-squares at the beginning and the end of the refinement
    0.0284    0.0235
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2   -2   -1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1    2   -1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4   -2    0    1   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5   -1   -1    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    0    2   -1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -2   -1    2    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8   -1   -2    2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    2   -1   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10    0   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1   -1    2    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12   -2    2   -1   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13    1   -2    2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    0   -2    3    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15   -2    1    0   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16    1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -1    2    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18   -1   -1    3    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19    2   -1    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    1   -1    2    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21   -1    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    0    1    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23    1    1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7315   -0.0534   -0.7289   -0.0565    0.0040    1
    2   -2   -1    1   -0.0135   -0.1758   -0.0133   -0.1793    0.0035    1
    3    1    2   -1   -0.0248    0.0859   -0.0241    0.0824    0.0036    1
    4   -2    0    1   -0.1959   -0.5857   -0.1976   -0.5890    0.0037    1
    5   -1   -1    1    0.0563   -0.2253    0.0566   -0.2258    0.0006    1
    6    0    2   -1   -0.1044    0.1176   -0.1046    0.1173    0.0004    1
    7   -2   -1    2    0.1190   -0.5966    0.1201   -0.5972    0.0012    1
    8   -1   -2    2    0.1437   -0.2220    0.1441   -0.2219    0.0004    1
    9   -1    2   -1   -0.1937    0.0485   -0.1940    0.0483    0.0004    1
   10    0   -1    1    0.2260   -0.1282    0.2267   -0.1283    0.0007    1
   11   -1   -1    2    0.5365   -0.6142    0.5314   -0.6143    0.0050    1
   12   -2    2   -1   -0.1815   -0.0386   -0.1815   -0.0378    0.0008    1
   13    1   -2    2    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14    0   -2    3    0.5298   -0.1478    0.5323   -0.1459    0.0031    1
   15   -2    1    0   -0.3359   -0.2374   -0.3358   -0.2354    0.0020    1
   16    1   -1    1    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17    0   -1    2    0.7279   -0.0764    0.7260   -0.0804    0.0044    1
   18   -1   -1    3    1.0644   -0.5049    1.0655   -0.4953    0.0097    1
   19    2   -1    1    0.0422    0.0272    0.0407    0.0272    0.0014    1
   20    1   -1    2    0.4394    0.1655    0.4436    0.1639    0.0045    1
   21   -1    0    0   -0.0343   -0.0600   -0.0357   -0.0605    0.0014    1
   22    1    0    1    0.2923    0.3291    0.2970    0.3320    0.0055    1
   23    1    1    0    0.0348    0.2655    0.0342    0.2676    0.0022    1

###            No.114                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0939    1.0812    1.1012  109.6062  109.9146  109.1011      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0892    1.0892    1.0892  109.3255  109.3255  109.3255      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0069    0.0069    0.0089    0.0218    0.0218    0.5566      0.0000         0.0145    0.0145
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9445    0.5347    0.2827)
 a2 = (   -0.3299    0.9115   -0.5859)
 a3 = (   -0.8991   -0.0520   -0.6618)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9430    0.5324    0.2837) (    0.0033    0.0054    0.0058)
 a2 = (   -0.3274    0.8963   -0.5854) (    0.0145    0.0053    0.0044)
 a3 = (   -0.8975   -0.0708   -0.6654) (    0.0135    0.0081    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  161.2333  128.0212  -41.2698    0.4539    0.4280    0.5108
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0057      0.0023    0.0021    0.0107

# Number of computed bands
             75             75
# Figure of merit at the beginning and the end of the refinement
        33.6423        46.7640
# Chi-squares at the beginning and the end of the refinement
    0.1927    0.0249
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2    1    2   -2   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3   -1   -2    1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1    1   -2   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    1    1   -1    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6   -1   -1    0   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7    2    1   -2    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8    2    1   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1    0   -1   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0   -1    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12   -1    1   -2   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13    2   -1    1    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14    3   -1    0    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15    0    1   -2   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    1   -1    1    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17    2   -1    0    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18    3   -1   -1    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    1   -2    2    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20    2   -2    1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    1   -1   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22    1   -2    1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    0   -2    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7322   -0.0581   -0.7289   -0.0565    0.0036    1
    2    1    2   -2   -0.0138   -0.1780   -0.0133   -0.1793    0.0014    1
    3   -1   -2    1   -0.0244    0.0845   -0.0241    0.0824    0.0021    1
    4    1    1   -2   -0.1954   -0.5864   -0.1976   -0.5890    0.0033    1
    5    1    1   -1    0.0569   -0.2274    0.0566   -0.2258    0.0016    1
    6   -1   -1    0   -0.1039    0.1170   -0.1046    0.1173    0.0008    1
    7    2    1   -2    0.1192   -0.5974    0.1201   -0.5972    0.0009    1
    8    2    1   -1    0.1449   -0.2235    0.1441   -0.2219    0.0017    1
    9   -1    0   -1   -0.1936    0.0484   -0.1940    0.0483    0.0005    1
   10    1    0    0    0.2272   -0.1284    0.2267   -0.1283    0.0005    1
   11    2    0   -1    0.5349   -0.6144    0.5314   -0.6143    0.0035    1
   12   -1    1   -2   -0.1820   -0.0385   -0.1815   -0.0378    0.0009    1
   13    2   -1    1    0.1974   -0.0081    0.1981   -0.0091    0.0012    1
   14    3   -1    0    0.5298   -0.1486    0.5323   -0.1459    0.0037    1
   15    0    1   -2   -0.3362   -0.2383   -0.3358   -0.2354    0.0030    1
   16    1   -1    1    0.1241    0.0353    0.1256    0.0356    0.0016    1
   17    2   -1    0    0.7274   -0.0789    0.7260   -0.0804    0.0020    1
   18    3   -1   -1    1.0584   -0.5093    1.0655   -0.4953    0.0157    1
   19    1   -2    2    0.0411    0.0271    0.0407    0.0272    0.0004    1
   20    2   -2    1    0.4397    0.1645    0.4436    0.1639    0.0039    1
   21    0    1   -1   -0.0356   -0.0613   -0.0357   -0.0605    0.0008    1
   22    1   -2    1    0.2932    0.3284    0.2970    0.3320    0.0052    1
   23    0   -2    1    0.0349    0.2649    0.0342    0.2676    0.0028    1

###            No.115                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0897    1.0876    1.0942  109.5045  109.5084  109.2577      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0887    1.0887    1.0887  109.2906  109.2906  109.2906      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0069    0.0069    0.0088    0.0200    0.0200    0.5565      0.0000         0.0145    0.0145
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3303   -0.8983    0.5851)
 a2 = (    0.9473   -0.5339   -0.2842)
 a3 = (    0.8983    0.0654    0.6637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3260   -0.8961    0.5852) (    0.0145    0.0053    0.0044)
 a2 = (    0.9422   -0.5321   -0.2844) (    0.0033    0.0054    0.0058)
 a3 = (    0.8966    0.0715    0.6653) (    0.0135    0.0081    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  138.3872   51.9640  138.6816    0.4703    0.4283    0.5121
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0002    0.0065      0.0023    0.0021    0.0107

# Number of computed bands
             95             72
# Figure of merit at the beginning and the end of the refinement
        42.4242        45.2124
# Chi-squares at the beginning and the end of the refinement
    0.0330    0.0278
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2   -2   -1    2   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    2    1   -1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1    2   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5   -1   -1    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    1    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -1   -2    2    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8   -1   -2    1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    0    1    1   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10    0   -1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    0   -2    1    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12   -1    1    2   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13    1   -2   -1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    1   -3    0    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15   -1    0    2   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16    1   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -2    0    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18    1   -3    1    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19    2   -1   -2    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    2   -2   -1    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21   -1    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1   -1    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23    2    0   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7322   -0.0587   -0.7289   -0.0565    0.0039    1
    2   -2   -1    2   -0.0140   -0.1781   -0.0133   -0.1793    0.0014    1
    3    2    1   -1   -0.0242    0.0842   -0.0241    0.0824    0.0017    1
    4   -1   -1    2   -0.1953   -0.5860   -0.1976   -0.5890    0.0038    1
    5   -1   -1    1    0.0568   -0.2277    0.0566   -0.2258    0.0019    1
    6    1    1    0   -0.1035    0.1168   -0.1046    0.1173    0.0012    1
    7   -1   -2    2    0.1188   -0.5975    0.1201   -0.5972    0.0013    1
    8   -1   -2    1    0.1451   -0.2240    0.1441   -0.2219    0.0022    1
    9    0    1    1   -0.1933    0.0483   -0.1940    0.0483    0.0007    1
   10    0   -1    0    0.2277   -0.1286    0.2267   -0.1283    0.0011    1
   11    0   -2    1    0.5350   -0.6148    0.5314   -0.6143    0.0036    1
   12   -1    1    2   -0.1817   -0.0385   -0.1815   -0.0378    0.0007    1
   13    1   -2   -1    0.1978   -0.0080    0.1981   -0.0091    0.0012    1
   14    1   -3    0    0.5303   -0.1486    0.5323   -0.1459    0.0033    1
   15   -1    0    2   -0.3358   -0.2383   -0.3358   -0.2354    0.0029    1
   16    1   -1   -1    0.1242    0.0354    0.1256    0.0356    0.0014    1
   17    1   -2    0    0.7276   -0.0786    0.7260   -0.0804    0.0023    1
   18    1   -3    1    1.0585   -0.5092    1.0655   -0.4953    0.0156    1
   19    2   -1   -2    0.0411    0.0272    0.0407    0.0272    0.0004    1
   20    2   -2   -1    0.4395    0.1647    0.4436    0.1639    0.0041    1
   21   -1    0    1   -0.0356   -0.0613   -0.0357   -0.0605    0.0007    1
   22    2   -1   -1    0.2929    0.3280    0.2970    0.3320    0.0057    1
   23    2    0   -1    0.0351    0.2645    0.0342    0.2676    0.0033    1

###            No.116                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0939    1.0812    1.0884  108.9624  109.5972  109.1011      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0892    1.0892    1.0892  109.3288  109.3288  109.3288      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0073    0.0073    0.0093    0.0231    0.0231    0.5841      0.0000         0.0152    0.0152
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0454   -0.5867   -0.9445)
 a2 = (   -0.5692   -0.9635   -0.0759)
 a3 = (   -0.8991   -0.0520   -0.6618)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0484   -0.5968   -0.9460) (    0.0129    0.0055    0.0031)
 a2 = (   -0.5660   -0.9628   -0.0771) (    0.0055    0.0033    0.0056)
 a3 = (   -0.9003   -0.0617   -0.6626) (    0.0147    0.0072    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -64.5666  110.6646 -121.9413    0.5960    0.4814    0.3656
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0000   -0.0007    0.0032      0.0022    0.0020    0.0109

# Number of computed bands
             75             90
# Figure of merit at the beginning and the end of the refinement
        33.6423        44.4970
# Chi-squares at the beginning and the end of the refinement
    0.1240    0.0249
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2   -1   -2    1   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3    1    2   -2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1   -1    0   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5   -1   -1    1    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6    1    1   -2   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7   -2   -1    1    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8   -2   -1    2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1    0   -2   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0    1    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12    1   -1   -2   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13   -2    1    2    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -3    1    2    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15    0   -1   -1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16   -1    1    1    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17   -2    1    1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18   -3    1    1    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19   -1    2    1    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20   -2    2    1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0   -1    0   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22   -1    2    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    0    2   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0508   -0.7289   -0.0565    0.0059    1
    2   -1   -2    1   -0.0131   -0.1769   -0.0133   -0.1793    0.0024    1
    3    1    2   -2   -0.0256    0.0852   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1955   -0.5897   -0.1976   -0.5890    0.0023    1
    5   -1   -1    1    0.0575   -0.2259    0.0566   -0.2258    0.0010    1
    6    1    1   -2   -0.1042    0.1159   -0.1046    0.1173    0.0014    1
    7   -2   -1    1    0.1228   -0.5971    0.1201   -0.5972    0.0027    1
    8   -2   -1    2    0.1447   -0.2216    0.1441   -0.2219    0.0007    1
    9    1    0   -2   -0.1919    0.0484   -0.1940    0.0483    0.0022    1
   10   -1    0    1    0.2259   -0.1281    0.2267   -0.1283    0.0008    1
   11   -2    0    1    0.5371   -0.6103    0.5314   -0.6143    0.0069    1
   12    1   -1   -2   -0.1809   -0.0374   -0.1815   -0.0378    0.0008    1
   13   -2    1    2    0.1978   -0.0093    0.1981   -0.0091    0.0004    1
   14   -3    1    2    0.5283   -0.1487    0.5323   -0.1459    0.0049    1
   15    0   -1   -1   -0.3378   -0.2368   -0.3358   -0.2354    0.0025    1
   16   -1    1    1    0.1257    0.0348    0.1256    0.0356    0.0008    1
   17   -2    1    1    0.7263   -0.0792    0.7260   -0.0804    0.0012    1
   18   -3    1    1    1.0588   -0.5038    1.0655   -0.4953    0.0108    1
   19   -1    2    1    0.0428    0.0279    0.0407    0.0272    0.0022    1
   20   -2    2    1    0.4419    0.1641    0.4436    0.1639    0.0016    1
   21    0   -1    0   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    2    0    0.2949    0.3313    0.2970    0.3320    0.0022    1
   23    0    2   -1    0.0333    0.2671    0.0342    0.2676    0.0010    1

###            No.117                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0897    1.0876    1.0931  109.3885  109.5394  109.2577      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0894    1.0894    1.0894  109.3393  109.3393  109.3393      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0073    0.0073    0.0093    0.0237    0.0237    0.5846      0.0000         0.0152    0.0152
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5680    0.9637    0.0786)
 a2 = (   -0.0489    0.5993    0.9479)
 a3 = (    0.8983    0.0654    0.6637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5663    0.9629    0.0773) (    0.0055    0.0034    0.0056)
 a2 = (   -0.0482    0.5972    0.9460) (    0.0129    0.0055    0.0031)
 a3 = (    0.9002    0.0621    0.6630) (    0.0147    0.0072    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    4.2311   69.3240   58.0421    0.3016    0.4815    0.3656
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0001   -0.0006    0.0035      0.0022    0.0020    0.0109

# Number of computed bands
             95             89
# Figure of merit at the beginning and the end of the refinement
        42.4242        44.3425
# Chi-squares at the beginning and the end of the refinement
    0.0331    0.0241
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2    2    1   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -2   -1    2   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1    0   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5    1    1   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -1    2   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    1    2   -1    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8    1    2   -2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    0   -1    2   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10    0    1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    0    2   -1    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12    1   -1    2   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -1    2   -2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -1    3   -2    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15    1    0    1   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16   -1    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    2   -1    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18   -1    3   -1    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19   -2    1   -1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -2    2   -1    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21    1    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1    0    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23   -2    0    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0510   -0.7289   -0.0565    0.0057    1
    2    2    1   -1   -0.0131   -0.1768   -0.0133   -0.1793    0.0025    1
    3   -2   -1    2   -0.0256    0.0853   -0.0241    0.0824    0.0033    1
    4    1    1    0   -0.1954   -0.5893   -0.1976   -0.5890    0.0022    1
    5    1    1   -1    0.0575   -0.2257    0.0566   -0.2258    0.0010    1
    6   -1   -1    2   -0.1043    0.1162   -0.1046    0.1173    0.0011    1
    7    1    2   -1    0.1226   -0.5968    0.1201   -0.5972    0.0025    1
    8    1    2   -2    0.1446   -0.2214    0.1441   -0.2219    0.0007    1
    9    0   -1    2   -0.1921    0.0486   -0.1940    0.0483    0.0019    1
   10    0    1   -1    0.2256   -0.1279    0.2267   -0.1283    0.0012    1
   11    0    2   -1    0.5365   -0.6100    0.5314   -0.6143    0.0066    1
   12    1   -1    2   -0.1811   -0.0374   -0.1815   -0.0378    0.0006    1
   13   -1    2   -2    0.1974   -0.0092    0.1981   -0.0091    0.0007    1
   14   -1    3   -2    0.5278   -0.1487    0.5323   -0.1459    0.0052    1
   15    1    0    1   -0.3379   -0.2368   -0.3358   -0.2354    0.0025    1
   16   -1    1   -1    0.1254    0.0348    0.1256    0.0356    0.0009    1
   17   -1    2   -1    0.7258   -0.0793    0.7260   -0.0804    0.0011    1
   18   -1    3   -1    1.0580   -0.5039    1.0655   -0.4953    0.0115    1
   19   -2    1   -1    0.0426    0.0278    0.0407    0.0272    0.0019    1
   20   -2    2   -1    0.4416    0.1639    0.4436    0.1639    0.0020    1
   21    1    0    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -2    1    0    0.2948    0.3310    0.2970    0.3320    0.0024    1
   23   -2    0    1    0.0335    0.2670    0.0342    0.2676    0.0009    1

###            No.118                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1012    1.0884    1.0939  109.5972  109.9146  109.6406      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0945    1.0945    1.0945  109.7175  109.7175  109.7175      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0071    0.0071    0.0092    0.0431    0.0431    0.5751      0.0000         0.0149    0.0149
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5692   -0.9635   -0.0759)
 a2 = (    0.3299   -0.9115    0.5859)
 a3 = (   -0.6146   -0.3768    0.8686)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5709   -0.9695   -0.0766) (    0.0056    0.0034    0.0056)
 a2 = (    0.3263   -0.9063    0.5864) (    0.0147    0.0051    0.0046)
 a3 = (   -0.6151   -0.3743    0.8679) (    0.0140    0.0056    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -6.0147   40.3875 -115.9014    0.4677    0.4564    0.4641
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0006   -0.0012    0.0035      0.0023    0.0020    0.0109

# Number of computed bands
             75             69
# Figure of merit at the beginning and the end of the refinement
        33.6423        44.2796
# Chi-squares at the beginning and the end of the refinement
    0.1317    0.0305
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2   -2   -1    1   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3    1    2   -1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -2    0    1   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5   -1   -1    1    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6    0    2   -1   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7   -2   -1    2    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8   -1   -2    2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1    2   -1   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1    2    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12   -2    2   -1   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13    1   -2    2    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14    0   -2    3    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15   -2    1    0   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    1   -1    1    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17    0   -1    2    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18   -1   -1    3    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    2   -1    1    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20    1   -1    2    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21   -1    0    0   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22    1    0    1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    1    1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7322   -0.0528   -0.7289   -0.0565    0.0049    1
    2   -2   -1    1   -0.0135   -0.1753   -0.0133   -0.1793    0.0040    1
    3    1    2   -1   -0.0246    0.0860   -0.0241    0.0824    0.0036    1
    4   -2    0    1   -0.1959   -0.5853   -0.1976   -0.5890    0.0041    1
    5   -1   -1    1    0.0559   -0.2252    0.0566   -0.2258    0.0009    1
    6    0    2   -1   -0.1042    0.1177   -0.1046    0.1173    0.0006    1
    7   -2   -1    2    0.1185   -0.5969    0.1201   -0.5972    0.0017    1
    8   -1   -2    2    0.1434   -0.2225    0.1441   -0.2219    0.0009    1
    9   -1    2   -1   -0.1935    0.0483   -0.1940    0.0483    0.0005    1
   10    0   -1    1    0.2265   -0.1288    0.2267   -0.1283    0.0005    1
   11   -1   -1    2    0.5377   -0.6155    0.5314   -0.6143    0.0064    1
   12   -2    2   -1   -0.1810   -0.0389   -0.1815   -0.0378    0.0013    1
   13    1   -2    2    0.1979   -0.0088    0.1981   -0.0091    0.0004    1
   14    0   -2    3    0.5311   -0.1477    0.5323   -0.1459    0.0021    1
   15   -2    1    0   -0.3352   -0.2374   -0.3358   -0.2354    0.0021    1
   16    1   -1    1    0.1253    0.0349    0.1256    0.0356    0.0008    1
   17    0   -1    2    0.7291   -0.0750    0.7260   -0.0804    0.0062    1
   18   -1   -1    3    1.0680   -0.5034    1.0655   -0.4953    0.0085    1
   19    2   -1    1    0.0428    0.0273    0.0407    0.0272    0.0021    1
   20    1   -1    2    0.4393    0.1662    0.4436    0.1639    0.0048    1
   21   -1    0    0   -0.0338   -0.0596   -0.0357   -0.0605    0.0021    1
   22    1    0    1    0.2918    0.3287    0.2970    0.3320    0.0061    1
   23    1    1    0    0.0354    0.2652    0.0342    0.2676    0.0028    1

###            No.119                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0942    1.0931    1.0897  109.5394  109.5084  109.6281      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0934    1.0934    1.0934  109.6394  109.6394  109.6394      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0072    0.0072    0.0093    0.0393    0.0393    0.5787      0.0000         0.0150    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0489    0.5993    0.9479)
 a2 = (   -0.9473    0.5339    0.2842)
 a3 = (   -0.6169   -0.3644    0.8693)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0506    0.6025    0.9499) (    0.0125    0.0058    0.0033)
 a2 = (   -0.9486    0.5352    0.2858) (    0.0033    0.0055    0.0059)
 a3 = (   -0.6170   -0.3592    0.8707) (    0.0135    0.0071    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.3952   60.1354  -20.7634    0.6101    0.4958    0.3930
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0001    0.0058      0.0022    0.0021    0.0108

# Number of computed bands
             95             90
# Figure of merit at the beginning and the end of the refinement
        42.4242        41.6136
# Chi-squares at the beginning and the end of the refinement
    0.0372    0.0260
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2    2    1   -2   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1   -2    2   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    2    0   -1   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5    1    1   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    0   -2    1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    2    1   -1    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8    1    2   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1   -2    0   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10    0    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    1    0    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12    2   -2   -1   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -1    2    1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    0    2    1    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15    2   -1   -1   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16   -1    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    1    1    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18    1    1    1    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19   -2    1    2    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -1    1    2    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21    1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    0    2    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23   -1   -1    2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7312   -0.0549   -0.7289   -0.0565    0.0028    1
    2    2    1   -2   -0.0135   -0.1787   -0.0133   -0.1793    0.0007    1
    3   -1   -2    2   -0.0252    0.0839   -0.0241    0.0824    0.0018    1
    4    2    0   -1   -0.1947   -0.5900   -0.1976   -0.5890    0.0031    1
    5    1    1   -1    0.0580   -0.2276    0.0566   -0.2258    0.0023    1
    6    0   -2    1   -0.1035    0.1154   -0.1046    0.1173    0.0022    1
    7    2    1   -1    0.1230   -0.5974    0.1201   -0.5972    0.0029    1
    8    1    2   -1    0.1458   -0.2229    0.1441   -0.2219    0.0020    1
    9    1   -2    0   -0.1915    0.0484   -0.1940    0.0483    0.0025    1
   10    0    1    0    0.2271   -0.1282    0.2267   -0.1283    0.0004    1
   11    1    1    0    0.5353   -0.6097    0.5314   -0.6143    0.0060    1
   12    2   -2   -1   -0.1810   -0.0371   -0.1815   -0.0378    0.0009    1
   13   -1    2    1    0.1982   -0.0088    0.1981   -0.0091    0.0003    1
   14    0    2    1    0.5280   -0.1494    0.5323   -0.1459    0.0055    1
   15    2   -1   -1   -0.3379   -0.2374   -0.3358   -0.2354    0.0029    1
   16   -1    1    1    0.1255    0.0353    0.1256    0.0356    0.0003    1
   17    0    1    1    0.7252   -0.0816    0.7260   -0.0804    0.0015    1
   18    1    1    1    1.0517   -0.5067    1.0655   -0.4953    0.0179    1
   19   -2    1    2    0.0420    0.0280    0.0407    0.0272    0.0015    1
   20   -1    1    2    0.4422    0.1630    0.4436    0.1639    0.0017    1
   21    1    0   -1   -0.0359   -0.0608   -0.0357   -0.0605    0.0004    1
   22   -1    0    2    0.2959    0.3304    0.2970    0.3320    0.0019    1
   23   -1   -1    2    0.0336    0.2666    0.0342    0.2676    0.0012    1

###            No.121                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0048    1.0048    0.9906   90.9941   90.1692   90.0261      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   90.0459   90.0459   90.0459      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.5284    0.5284    0.5284      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2355   -0.9402   -0.2259)
 a2 = (   -0.9495   -0.2693    0.1288)
 a3 = (   -0.2015    0.1801   -0.9728)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2371   -0.9444   -0.2277) (    0.0077    0.0019    0.0046)
 a2 = (   -0.9539   -0.2713    0.1286) (    0.0019    0.0065    0.0050)
 a3 = (   -0.1838    0.1857   -0.9653) (    0.0072    0.0099    0.0014)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.5130  164.8361 -135.5412    0.9782    0.2668    1.1825
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0032      0.0022    0.0021    0.0110

# Number of computed bands
            400            140
# Figure of merit at the beginning and the end of the refinement
         7.7835        39.2333
# Chi-squares at the beginning and the end of the refinement
    0.0174    0.0103
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1    0   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    3    0   -1   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -2   -1   -1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5   -1    0    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    2   -1   -1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7   -3    0   -1    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8   -3    1    0    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    1   -2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0   -3   -1   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13   -1    3    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    3   -1    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -1   -2   -1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    2   -1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18   -1    1   -1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    1    3    0    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    0    3   -1    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21   -1   -1    0   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1    2   -1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    2    1   -1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7285   -0.0552   -0.7289   -0.0565    0.0014    1
    2   -3   -1    0   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    3    0   -1   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4   -2   -1   -1   -0.1964   -0.5865   -0.1976   -0.5890    0.0028    1
    5   -1    0    0    0.0573   -0.2264    0.0566   -0.2258    0.0010    1
    6    2   -1   -1   -0.1042    0.1168   -0.1046    0.1173    0.0006    1
    7   -3    0   -1    0.1194   -0.5972    0.1201   -0.5972    0.0007    1
    8   -3    1    0    0.1448   -0.2224    0.1441   -0.2219    0.0008    1
    9    1   -2   -1   -0.1928    0.0484   -0.1940    0.0483    0.0012    1
   10   -1    1    0    0.2265   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    1   -1    0.5345   -0.6148    0.5314   -0.6143    0.0031    1
   12    0   -3   -1   -0.1814   -0.0379   -0.1815   -0.0378    0.0001    1
   13   -1    3    0    0.1975   -0.0086    0.1981   -0.0091    0.0008    1
   14   -2    3   -1    0.5297   -0.1496    0.5323   -0.1459    0.0045    1
   15   -1   -2   -1   -0.3365   -0.2369   -0.3358   -0.2354    0.0016    1
   16    0    1    0    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17   -1    2   -1    0.7288   -0.0806    0.7260   -0.0804    0.0027    1
   18   -1    1   -1    1.0603   -0.5131    1.0655   -0.4953    0.0186    1
   19    1    3    0    0.0419    0.0274    0.0407    0.0272    0.0012    1
   20    0    3   -1    0.4419    0.1644    0.4436    0.1639    0.0018    1
   21   -1   -1    0   -0.0350   -0.0607   -0.0357   -0.0605    0.0006    1
   22    1    2   -1    0.2948    0.3308    0.2970    0.3320    0.0025    1
   23    2    1   -1    0.0342    0.2667    0.0342    0.2676    0.0010    1

###            No.122                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0021    1.0007    0.9973   89.8382   89.5045   89.9453      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   89.9331   89.9331   89.9331      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.5846    0.5846    0.5846      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9522   -0.2701    0.1275)
 a2 = (   -0.2365    0.9441    0.2265)
 a3 = (   -0.1736    0.1863   -0.9699)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9536   -0.2722    0.1284) (    0.0022    0.0068    0.0043)
 a2 = (   -0.2375    0.9442    0.2282) (    0.0085    0.0020    0.0048)
 a3 = (   -0.1820    0.1863   -0.9655) (    0.0108    0.0064    0.0030)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3615  164.8130 -135.5726    0.9524    0.3228    1.0348
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0045      0.0021    0.0020    0.0113

# Number of computed bands
            163            147
# Figure of merit at the beginning and the end of the refinement
        22.0792        38.5123
# Chi-squares at the beginning and the end of the refinement
    0.0490    0.0200
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2   -1    3    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    0   -3   -1   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4   -1    2   -1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -2   -1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7    0    3   -1    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    1    3    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9   -2   -1   -1   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    1    1    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1    2   -1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12   -3    0   -1   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    3    1    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    3    2   -1    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15   -2    1   -1   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    1    0    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    2    1   -1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1    1   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    3   -1    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    3    0   -1    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -2   -1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7291   -0.0554   -0.7289   -0.0565    0.0011    1
    2   -1    3    0   -0.0133   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0   -3   -1   -0.0248    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    2   -1   -0.1958   -0.5868   -0.1976   -0.5890    0.0028    1
    5    0    1    0    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6   -1   -2   -1   -0.1040    0.1166   -0.1046    0.1173    0.0009    1
    7    0    3   -1    0.1201   -0.5970    0.1201   -0.5972    0.0002    1
    8    1    3    0    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9   -2   -1   -1   -0.1928    0.0484   -0.1940    0.0483    0.0012    1
   10    1    1    0    0.2266   -0.1278    0.2267   -0.1283    0.0005    1
   11    1    2   -1    0.5351   -0.6135    0.5314   -0.6143    0.0037    1
   12   -3    0   -1   -0.1815   -0.0380   -0.1815   -0.0378    0.0002    1
   13    3    1    0    0.1973   -0.0084    0.1981   -0.0091    0.0011    1
   14    3    2   -1    0.5292   -0.1487    0.5323   -0.1459    0.0042    1
   15   -2    1   -1   -0.3365   -0.2372   -0.3358   -0.2354    0.0020    1
   16    1    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    2    1   -1    0.7276   -0.0794    0.7260   -0.0804    0.0018    1
   18    1    1   -1    1.0594   -0.5100    1.0655   -0.4953    0.0159    1
   19    3   -1    0    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    3    0   -1    0.4408    0.1645    0.4436    0.1639    0.0029    1
   21   -1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2   -1   -1    0.2939    0.3300    0.2970    0.3320    0.0037    1
   23    1   -2   -1    0.0341    0.2659    0.0342    0.2676    0.0017    1

###            No.124                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0018    0.9992    0.9990   89.9726   89.9956   89.8431      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   89.9325   89.9325   89.9325      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.5837    0.5837    0.5837      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1829   -0.1827    0.9642)
 a2 = (    0.2368   -0.9455   -0.2269)
 a3 = (    0.9549    0.2708   -0.1299)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1820   -0.1863    0.9655) (    0.0108    0.0064    0.0030)
 a2 = (    0.2375   -0.9442   -0.2282) (    0.0085    0.0020    0.0048)
 a3 = (    0.9536    0.2722   -0.1284) (    0.0021    0.0068    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2327   97.3299  105.8467    0.5414    0.4605    0.5727
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0045      0.0021    0.0020    0.0113

# Number of computed bands
            161            149
# Figure of merit at the beginning and the end of the refinement
        34.2913        38.2528
# Chi-squares at the beginning and the end of the refinement
    0.0461    0.0200
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3    1   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1    3    0   -0.0256    0.0864   -0.0241    0.0824    0.0042    1
    4    1   -2    1   -0.1963   -0.5849   -0.1976   -0.5890    0.0043    1
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2    1   -0.1049    0.1173   -0.1046    0.1173    0.0003    1
    7    1   -3    0    0.1185   -0.5962    0.1201   -0.5972    0.0018    1
    8    0   -3   -1    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    1    2   -0.1928    0.0485   -0.1940    0.0483    0.0013    1
   10    0   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2   -1    0.5329   -0.6149    0.5314   -0.6143    0.0016    1
   12    1    0    3   -0.1808   -0.0374   -0.1815   -0.0378    0.0008    1
   13    0   -1   -3    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    1   -2   -3    0.5301   -0.1505    0.5323   -0.1459    0.0051    1
   15    1   -1    2   -0.3359   -0.2361   -0.3358   -0.2354    0.0007    1
   16    0    0   -1    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    1   -1   -2    0.7295   -0.0822    0.7260   -0.0804    0.0039    1
   18    1   -1   -1    1.0577   -0.5159    1.0655   -0.4953    0.0220    1
   19    0    1   -3    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    1    0   -3    0.4437    0.1647    0.4436    0.1639    0.0008    1
   21    0   -1    1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1    1   -2    0.2966    0.3324    0.2970    0.3320    0.0005    1
   23    1    2   -1    0.0342    0.2687    0.0342    0.2676    0.0011    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7291   -0.0555   -0.7289   -0.0565    0.0011    1
    2    0   -3    1   -0.0133   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1    3    0   -0.0248    0.0849   -0.0241    0.0824    0.0026    1
    4    1   -2    1   -0.1958   -0.5868   -0.1976   -0.5890    0.0028    1
    5    0   -1    0    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1    2    1   -0.1040    0.1166   -0.1046    0.1173    0.0009    1
    7    1   -3    0    0.1201   -0.5970    0.1201   -0.5972    0.0002    1
    8    0   -3   -1    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9    1    1    2   -0.1928    0.0484   -0.1940    0.0483    0.0012    1
   10    0   -1   -1    0.2266   -0.1278    0.2267   -0.1283    0.0005    1
   11    1   -2   -1    0.5351   -0.6135    0.5314   -0.6143    0.0037    1
   12    1    0    3   -0.1815   -0.0380   -0.1815   -0.0378    0.0002    1
   13    0   -1   -3    0.1973   -0.0084    0.1981   -0.0091    0.0011    1
   14    1   -2   -3    0.5292   -0.1487    0.5323   -0.1459    0.0042    1
   15    1   -1    2   -0.3365   -0.2373   -0.3358   -0.2354    0.0020    1
   16    0    0   -1    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1   -1   -2    0.7276   -0.0794    0.7260   -0.0804    0.0018    1
   18    1   -1   -1    1.0594   -0.5100    1.0655   -0.4953    0.0159    1
   19    0    1   -3    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    1    0   -3    0.4408    0.1645    0.4436    0.1639    0.0029    1
   21    0   -1    1   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    1   -2    0.2939    0.3300    0.2970    0.3320    0.0037    1
   23    1    2   -1    0.0341    0.2659    0.0342    0.2676    0.0017    1

###            No.127                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0141    0.9855    1.0013   90.8349   91.9005   90.4410      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   90.0217   90.0217   90.0217      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.6604    0.6604    0.6604      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1480   -0.1850    0.9578)
 a2 = (   -0.2550    0.9544    0.2323)
 a3 = (   -0.9533   -0.2704    0.1294)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1829   -0.1863    0.9653) (    0.0122    0.0075    0.0035)
 a2 = (   -0.2378    0.9443    0.2277) (    0.0074    0.0026    0.0054)
 a3 = (   -0.9539   -0.2709    0.1289) (    0.0021    0.0075    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.7491   82.6201  -74.1320    0.5559    0.6581    0.3905
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0033      0.0024    0.0021    0.0119

# Number of computed bands
            400            171
# Figure of merit at the beginning and the end of the refinement
         5.4027        36.6424
# Chi-squares at the beginning and the end of the refinement
    0.6598    0.0105
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    0    3   -1   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3    1   -3    0   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    1    2   -1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    0    1    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6    1   -2   -1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    1    3    0    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    0    3    1    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9    1   -1   -2   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    0    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    1    0   -3   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    0    1    3    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    1    2    3    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    1    1   -2   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1    2    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    1    1    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19    0   -1    3    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    1    0    3    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    0    1   -1   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22    1   -1    2    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23    1   -2    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7288   -0.0546   -0.7289   -0.0565    0.0019    1
    2    0    3   -1   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    1   -3    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    2   -1   -0.1962   -0.5870   -0.1976   -0.5890    0.0024    1
    5    0    1    0    0.0573   -0.2264    0.0566   -0.2258    0.0010    1
    6    1   -2   -1   -0.1042    0.1167   -0.1046    0.1173    0.0008    1
    7    1    3    0    0.1200   -0.5972    0.1201   -0.5972    0.0001    1
    8    0    3    1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1   -1   -2   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10    0    1    1    0.2265   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    2    1    0.5348   -0.6140    0.5314   -0.6143    0.0034    1
   12    1    0   -3   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0    1    3    0.1976   -0.0088    0.1981   -0.0091    0.0006    1
   14    1    2    3    0.5294   -0.1496    0.5323   -0.1459    0.0046    1
   15    1    1   -2   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16    0    0    1    0.1250    0.0350    0.1256    0.0356    0.0008    1
   17    1    1    2    0.7283   -0.0806    0.7260   -0.0804    0.0023    1
   18    1    1    1    1.0595   -0.5118    1.0655   -0.4953    0.0176    1
   19    0   -1    3    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    1    0    3    0.4420    0.1643    0.4436    0.1639    0.0016    1
   21    0    1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1   -1    2    0.2950    0.3309    0.2970    0.3320    0.0023    1
   23    1   -2    1    0.0341    0.2668    0.0342    0.2676    0.0008    1

###            No.128                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0011    1.0009    0.9980   90.5921   90.2806   90.0245      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   89.9178   89.9178   89.9178      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.4816    0.4816    0.4816      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2364   -0.9437   -0.2264)
 a2 = (   -0.9531   -0.2703    0.1296)
 a3 = (   -0.1930    0.1785   -0.9670)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2390   -0.9439   -0.2277) (    0.0070    0.0018    0.0046)
 a2 = (   -0.9539   -0.2711    0.1288) (    0.0019    0.0065    0.0050)
 a3 = (   -0.1823    0.1881   -0.9651) (    0.0066    0.0090    0.0013)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.5633  164.8439 -135.4769    0.9758    0.2628    1.1796
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0004    0.0038      0.0022    0.0021    0.0107

# Number of computed bands
            145            163
# Figure of merit at the beginning and the end of the refinement
        20.8895        36.1990
# Chi-squares at the beginning and the end of the refinement
    0.0409    0.0195
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7260   -0.0582   -0.7289   -0.0565    0.0034    1
    2   -3   -1    0   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    3    0   -1   -0.0263    0.0877   -0.0241    0.0824    0.0057    1
    4   -2   -1   -1   -0.1988   -0.5843   -0.1976   -0.5890    0.0048    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1065    0.1181   -0.1046    0.1173    0.0020    1
    7   -3    0   -1    0.1164   -0.5980    0.1201   -0.5972    0.0038    1
    8   -3    1    0    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9    1   -2   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1   -1    0.5322   -0.6210    0.5314   -0.6143    0.0068    1
   12    0   -3   -1   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -1    3    0    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14   -2    3   -1    0.5326   -0.1524    0.5323   -0.1459    0.0064    1
   15   -1   -2   -1   -0.3362   -0.2357   -0.3358   -0.2354    0.0006    1
   16    0    1    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17   -1    2   -1    0.7354   -0.0847    0.7260   -0.0804    0.0103    1
   18   -1    1   -1    1.0650   -0.5290    1.0655   -0.4953    0.0337    1
   19    1    3    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    0    3   -1    0.4470    0.1659    0.4436    0.1639    0.0040    1
   21   -1   -1    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1    2   -1    0.2985    0.3361    0.2970    0.3320    0.0044    1
   23    2    1   -1    0.0334    0.2714    0.0342    0.2676    0.0039    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7290   -0.0537   -0.7289   -0.0565    0.0028    1
    2   -3   -1    0   -0.0132   -0.1773   -0.0133   -0.1793    0.0020    1
    3    3    0   -1   -0.0251    0.0850   -0.0241    0.0824    0.0028    1
    4   -2   -1   -1   -0.1958   -0.5878   -0.1976   -0.5890    0.0021    1
    5   -1    0    0    0.0575   -0.2263    0.0566   -0.2258    0.0011    1
    6    2   -1   -1   -0.1041    0.1164   -0.1046    0.1173    0.0010    1
    7   -3    0   -1    0.1210   -0.5971    0.1201   -0.5972    0.0009    1
    8   -3    1    0    0.1449   -0.2220    0.1441   -0.2219    0.0008    1
    9    1   -2   -1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2262   -0.1278    0.2267   -0.1283    0.0007    1
   11   -2    1   -1    0.5357   -0.6125    0.5314   -0.6143    0.0047    1
   12    0   -3   -1   -0.1814   -0.0377   -0.1815   -0.0378    0.0002    1
   13   -1    3    0    0.1973   -0.0087    0.1981   -0.0091    0.0009    1
   14   -2    3   -1    0.5288   -0.1488    0.5323   -0.1459    0.0045    1
   15   -1   -2   -1   -0.3371   -0.2370   -0.3358   -0.2354    0.0020    1
   16    0    1    0    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17   -1    2   -1    0.7273   -0.0794    0.7260   -0.0804    0.0015    1
   18   -1    1   -1    1.0595   -0.5084    1.0655   -0.4953    0.0144    1
   19    1    3    0    0.0420    0.0275    0.0407    0.0272    0.0012    1
   20    0    3   -1    0.4413    0.1644    0.4436    0.1639    0.0024    1
   21   -1   -1    0   -0.0351   -0.0606   -0.0357   -0.0605    0.0006    1
   22    1    2   -1    0.2943    0.3307    0.2970    0.3320    0.0030    1
   23    2    1   -1    0.0337    0.2664    0.0342    0.2676    0.0013    1

###            No.129                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0034    0.9990    0.9976   90.0532   90.1487   90.0410      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0000    1.0000    1.0000   89.9181   89.9181   89.9181      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0000    0.4819    0.4819    0.4819      0.0000         0.0000    0.0000
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1815   -0.1828    0.9628)
 a2 = (    0.9551    0.2709   -0.1279)
 a3 = (   -0.2372    0.9470    0.2272)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1823   -0.1881    0.9651) (    0.0066    0.0090    0.0013)
 a2 = (    0.9539    0.2711   -0.1288) (    0.0019    0.0065    0.0050)
 a3 = (   -0.2390    0.9439    0.2277) (    0.0070    0.0018    0.0046)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.5225   76.7682 -165.8842    0.4012    0.4177    0.4307
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0004    0.0038      0.0022    0.0021    0.0107

# Number of computed bands
            159            168
# Figure of merit at the beginning and the end of the refinement
        31.8190        35.6581
# Chi-squares at the beginning and the end of the refinement
    0.0423    0.0195
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    0    1    3   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1    0   -3   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4    1    1    2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1    0    3    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8    0   -1    3    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1    2   -1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10    0   -1    1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1   -1    2    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    1    3    0   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13    0   -3    1    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    1   -3    2    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15    1    2    1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    0   -1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1   -2    1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18    1   -1    1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19    0   -3   -1    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    1   -3    0    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21    0    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -2   -1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    1   -1   -2    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7290   -0.0537   -0.7289   -0.0565    0.0028    1
    2    0    1    3   -0.0132   -0.1773   -0.0133   -0.1793    0.0020    1
    3    1    0   -3   -0.0251    0.0850   -0.0241    0.0824    0.0028    1
    4    1    1    2   -0.1958   -0.5878   -0.1976   -0.5890    0.0021    1
    5    0    0    1    0.0575   -0.2263    0.0566   -0.2258    0.0011    1
    6    1    1   -2   -0.1041    0.1164   -0.1046    0.1173    0.0010    1
    7    1    0    3    0.1210   -0.5971    0.1201   -0.5972    0.0009    1
    8    0   -1    3    0.1449   -0.2220    0.1441   -0.2219    0.0008    1
    9    1    2   -1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2262   -0.1278    0.2267   -0.1283    0.0007    1
   11    1   -1    2    0.5357   -0.6125    0.5314   -0.6143    0.0046    1
   12    1    3    0   -0.1814   -0.0377   -0.1815   -0.0378    0.0002    1
   13    0   -3    1    0.1973   -0.0087    0.1981   -0.0091    0.0009    1
   14    1   -3    2    0.5288   -0.1488    0.5323   -0.1459    0.0045    1
   15    1    2    1   -0.3370   -0.2370   -0.3358   -0.2354    0.0020    1
   16    0   -1    0    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17    1   -2    1    0.7273   -0.0794    0.7260   -0.0804    0.0016    1
   18    1   -1    1    1.0595   -0.5084    1.0655   -0.4953    0.0144    1
   19    0   -3   -1    0.0420    0.0275    0.0407    0.0272    0.0012    1
   20    1   -3    0    0.4413    0.1644    0.4436    0.1639    0.0024    1
   21    0    1    1   -0.0351   -0.0606   -0.0357   -0.0605    0.0006    1
   22    1   -2   -1    0.2943    0.3307    0.2970    0.3320    0.0030    1
   23    1   -1   -2    0.0337    0.2664    0.0342    0.2676    0.0013    1

###            No.130                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3038    1.3296    1.3244  118.6146  116.2205  116.3925      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3164    1.3164    1.3164  117.0380  117.0380  117.0380      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0093    0.0093    0.0159    0.4797    0.4797    1.0116      0.0000         0.0191    0.0191
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0214   -1.1353    0.2397)
 a2 = (    1.4742   -0.3671    0.3024)
 a3 = (    1.0075   -0.6449    0.9901)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0168   -1.1361    0.2400) (    0.0082    0.0077    0.0073)
 a2 = (    1.4675   -0.3703    0.3027) (    0.0032    0.0100    0.0070)
 a3 = (    0.9821   -0.6591    0.9915) (    0.0065    0.0078    0.0128)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   52.2523   11.3418  -99.8756    1.3017    0.2643    1.2338
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0039      0.0022    0.0020    0.0203

# Number of computed bands
            400            221
# Figure of merit at the beginning and the end of the refinement
         6.6778        30.9909
# Chi-squares at the beginning and the end of the refinement
    0.0237    0.0205
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7158   -0.0605   -0.7289   -0.0565    0.0137    1
    2   -5    3    1   -0.0145   -0.1766   -0.0133   -0.1793    0.0030    1
    3    2   -1    0   -0.0255    0.0854   -0.0241    0.0824    0.0033    1
    4   -2    1    1   -0.2008   -0.5759   -0.1976   -0.5890    0.0134    1
    5   -3    1    1    0.0550   -0.2261    0.0566   -0.2258    0.0016    1
    6    1    0    0   -0.1050    0.1167   -0.1046    0.1173    0.0007    1
    7   -5    1    3    0.1076   -0.5951    0.1201   -0.5972    0.0127    1
    8   -2    0    1    0.1423   -0.2235    0.1441   -0.2219    0.0023    1
    9    0    1    0   -0.1931    0.0481   -0.1940    0.0483    0.0010    1
   10   -1   -1    1    0.2260   -0.1302    0.2267   -0.1283    0.0020    1
   11   -3   -1    3    0.5203   -0.6310    0.5314   -0.6143    0.0201    1
   12   -1    2    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    0   -2    1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -1   -2    2    0.5340   -0.1584    0.5323   -0.1459    0.0125    1
   15   -3    3    1   -0.3337   -0.2341   -0.3358   -0.2354    0.0025    1
   16    1   -3    1    0.1248    0.0354    0.1256    0.0356    0.0009    1
   17   -1   -3    3    0.7415   -0.0924    0.7260   -0.0804    0.0196    1
   18   -3   -3    5    1.0651   -0.5578    1.0655   -0.4953    0.0625    0
   19    3   -5    1    0.0412    0.0277    0.0407    0.0272    0.0007    1
   20    1   -5    3    0.4486    0.1665    0.4436    0.1639    0.0057    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -2    1    0.2963    0.3371    0.2970    0.3320    0.0051    1
   23    3   -3    1    0.0319    0.2681    0.0342    0.2676    0.0023    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2   -5    3    1   -0.0132   -0.1775   -0.0133   -0.1793    0.0018    1
    3    2   -1    0   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4   -2    1    1   -0.1960   -0.5872   -0.1976   -0.5890    0.0024    1
    5   -3    1    1    0.0576   -0.2264    0.0566   -0.2258    0.0011    1
    6    1    0    0   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -5    1    3    0.1205   -0.5971    0.1201   -0.5972    0.0004    1
    8   -2    0    1    0.1450   -0.2220    0.1441   -0.2219    0.0009    1
    9    0    1    0   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10   -1   -1    1    0.2263   -0.1277    0.2267   -0.1283    0.0008    1
   11   -3   -1    3    0.5352   -0.6132    0.5314   -0.6143    0.0039    1
   12   -1    2    0   -0.1816   -0.0379   -0.1815   -0.0378    0.0001    1
   13    0   -2    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -1   -2    2    0.5289   -0.1488    0.5323   -0.1459    0.0044    1
   15   -3    3    1   -0.3368   -0.2371   -0.3358   -0.2354    0.0019    1
   16    1   -3    1    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -1   -3    3    0.7276   -0.0796    0.7260   -0.0804    0.0017    1
   18   -3   -3    5    1.0598   -0.5101    1.0655   -0.4953    0.0159    1
   19    3   -5    1    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    1   -5    3    0.4410    0.1645    0.4436    0.1639    0.0026    1
   21   -1    1    0   -0.0352   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -2    1    0.2940    0.3305    0.2970    0.3320    0.0033    1
   23    3   -3    1    0.0338    0.2662    0.0342    0.2676    0.0015    1

###            No.132                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3187    1.3226    1.3223  117.5470  117.0481  116.7219      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3167    1.3167    1.3167  117.0424  117.0424  117.0424      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0078    0.0078    0.0132    0.3998    0.3998    0.8430      0.0000         0.0159    0.0159
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4276   -1.2489   -0.8135)
 a2 = (   -1.1766   -0.8249   -0.5893)
 a3 = (   -0.7011   -0.5447   -1.2801)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4168   -1.2437   -0.8147) (    0.0097    0.0071    0.0076)
 a2 = (   -1.1674   -0.8203   -0.5903) (    0.0053    0.0077    0.0081)
 a3 = (   -0.6823   -0.5317   -1.2791) (    0.0063    0.0107    0.0114)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -78.8247  147.4646  174.6612    0.5176    0.3580    0.5610
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0041      0.0022    0.0021    0.0178

# Number of computed bands
            219            219
# Figure of merit at the beginning and the end of the refinement
        13.9340        30.8643
# Chi-squares at the beginning and the end of the refinement
    0.1246    0.0214
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7232   -0.0602   -0.7289   -0.0565    0.0068    1
    2   -2    0    1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    5   -1   -3   -0.0265    0.0877   -0.0241    0.0824    0.0058    1
    4   -1    0    0   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5   -3    1    1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    2   -1   -1   -0.1069    0.1180   -0.1046    0.1173    0.0024    1
    7   -2    1    0    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8   -5    3    1    0.1443   -0.2224    0.1441   -0.2219    0.0005    1
    9    3   -3   -1   -0.1943    0.0479   -0.1940    0.0483    0.0004    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3    3   -1    0.5305   -0.6235    0.5314   -0.6143    0.0092    1
   12    1   -2    0   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13   -3    5   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    3   -1    0.5332   -0.1534    0.5323   -0.1459    0.0075    1
   15    0   -1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    3   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    2   -1    0.7371   -0.0866    0.7260   -0.0804    0.0127    1
   18   -3    5   -3    1.0657   -0.5362    1.0655   -0.4953    0.0409    1
   19    0    2   -1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1    5   -3    0.4480    0.1659    0.4436    0.1639    0.0048    1
   21   -1   -1    1   -0.0351   -0.0594   -0.0357   -0.0605    0.0012    1
   22    1    3   -3    0.2992    0.3371    0.2970    0.3320    0.0056    1
   23    3    1   -3    0.0330    0.2720    0.0342    0.2676    0.0045    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7283   -0.0553   -0.7289   -0.0565    0.0013    1
    2   -2    0    1   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    5   -1   -3   -0.0248    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    0    0   -0.1960   -0.5867   -0.1976   -0.5890    0.0027    1
    5   -3    1    1    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    2   -1   -1   -0.1041    0.1166   -0.1046    0.1173    0.0008    1
    7   -2    1    0    0.1200   -0.5970    0.1201   -0.5972    0.0001    1
    8   -5    3    1    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    3   -3   -1   -0.1929    0.0484   -0.1940    0.0483    0.0012    1
   10   -1    1    0    0.2264   -0.1276    0.2267   -0.1283    0.0008    1
   11   -3    3   -1    0.5349   -0.6137    0.5314   -0.6143    0.0035    1
   12    1   -2    0   -0.1817   -0.0380   -0.1815   -0.0378    0.0002    1
   13   -3    5   -1    0.1970   -0.0084    0.1981   -0.0091    0.0014    1
   14   -2    3   -1    0.5291   -0.1488    0.5323   -0.1459    0.0043    1
   15    0   -1    0   -0.3366   -0.2371   -0.3358   -0.2354    0.0019    1
   16   -1    3   -1    0.1242    0.0350    0.1256    0.0356    0.0015    1
   17   -1    2   -1    0.7277   -0.0796    0.7260   -0.0804    0.0019    1
   18   -3    5   -3    1.0598   -0.5110    1.0655   -0.4953    0.0167    1
   19    0    2   -1    0.0414    0.0272    0.0407    0.0272    0.0007    1
   20   -1    5   -3    0.4408    0.1645    0.4436    0.1639    0.0029    1
   21   -1   -1    1   -0.0353   -0.0610   -0.0357   -0.0605    0.0007    1
   22    1    3   -3    0.2939    0.3303    0.2970    0.3320    0.0036    1
   23    3    1   -3    0.0339    0.2660    0.0342    0.2676    0.0017    1

###            No.133                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3166    1.3153    1.3189  117.0922  117.1524  116.8933      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3167    1.3167    1.3167  117.0423  117.0423  117.0423      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0078    0.0078    0.0132    0.3998    0.3998    0.8430      0.0000         0.0159    0.0159
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.1684    0.8191    0.5906)
 a2 = (    0.4175    1.2443    0.8154)
 a3 = (    0.6835    0.5324    1.2786)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.1674    0.8203    0.5903) (    0.0053    0.0077    0.0081)
 a2 = (    0.4168    1.2437    0.8147) (    0.0097    0.0071    0.0076)
 a3 = (    0.6822    0.5317    1.2791) (    0.0063    0.0107    0.0114)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   45.3036   32.5358   -5.3389    0.4799    0.3580    0.5610
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0041      0.0022    0.0021    0.0178

# Number of computed bands
            221            219
# Figure of merit at the beginning and the end of the refinement
        27.3576        30.8599
# Chi-squares at the beginning and the end of the refinement
    0.0322    0.0213
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7306   -0.0546   -0.7289   -0.0565    0.0025    1
    2    0    2   -1   -0.0139   -0.1789   -0.0133   -0.1793    0.0007    1
    3    1   -5    3   -0.0251    0.0844   -0.0241    0.0824    0.0022    1
    4    0    1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1    3   -1    0.0573   -0.2278    0.0566   -0.2258    0.0022    1
    6    1   -2    1   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -1    2    0    0.1197   -0.5992    0.1201   -0.5972    0.0020    1
    8   -3    5   -1    0.1452   -0.2232    0.1441   -0.2219    0.0017    1
    9    3   -3    1   -0.1934    0.0489   -0.1940    0.0483    0.0009    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3    3    1    0.5348   -0.6160    0.5314   -0.6143    0.0038    1
   12    2   -1    0   -0.1829   -0.0375   -0.1815   -0.0378    0.0013    1
   13   -5    3    1    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14   -3    2    1    0.5300   -0.1503    0.5323   -0.1459    0.0050    1
   15    1    0    0   -0.3389   -0.2376   -0.3358   -0.2354    0.0038    1
   16   -3    1    1    0.1241    0.0351    0.1256    0.0356    0.0016    1
   17   -2    1    1    0.7294   -0.0817    0.7260   -0.0804    0.0037    1
   18   -5    3    3    1.0605   -0.5154    1.0655   -0.4953    0.0208    1
   19   -2    0    1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20   -5    1    3    0.4422    0.1644    0.4436    0.1639    0.0015    1
   21    1    1   -1   -0.0364   -0.0617   -0.0357   -0.0605    0.0014    1
   22   -3   -1    3    0.2947    0.3312    0.2970    0.3320    0.0025    1
   23   -1   -3    3    0.0334    0.2663    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7283   -0.0553   -0.7289   -0.0565    0.0013    1
    2    0    2   -1   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -5    3   -0.0248    0.0849   -0.0241    0.0824    0.0026    1
    4    0    1    0   -0.1960   -0.5868   -0.1976   -0.5890    0.0027    1
    5   -1    3   -1    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1   -2    1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -1    2    0    0.1200   -0.5970    0.1201   -0.5972    0.0001    1
    8   -3    5   -1    0.1450   -0.2221    0.1441   -0.2219    0.0009    1
    9    3   -3    1   -0.1929    0.0484   -0.1940    0.0483    0.0012    1
   10   -1    1    0    0.2264   -0.1276    0.2267   -0.1283    0.0008    1
   11   -3    3    1    0.5349   -0.6137    0.5314   -0.6143    0.0035    1
   12    2   -1    0   -0.1817   -0.0380   -0.1815   -0.0378    0.0002    1
   13   -5    3    1    0.1970   -0.0084    0.1981   -0.0091    0.0014    1
   14   -3    2    1    0.5291   -0.1488    0.5323   -0.1459    0.0043    1
   15    1    0    0   -0.3366   -0.2371   -0.3358   -0.2354    0.0019    1
   16   -3    1    1    0.1242    0.0350    0.1256    0.0356    0.0015    1
   17   -2    1    1    0.7277   -0.0796    0.7260   -0.0804    0.0019    1
   18   -5    3    3    1.0598   -0.5110    1.0655   -0.4953    0.0167    1
   19   -2    0    1    0.0414    0.0272    0.0407    0.0272    0.0007    1
   20   -5    1    3    0.4408    0.1645    0.4436    0.1639    0.0029    1
   21    1    1   -1   -0.0353   -0.0610   -0.0357   -0.0605    0.0007    1
   22   -3   -1    3    0.2939    0.3302    0.2970    0.3320    0.0036    1
   23   -1   -3    3    0.0339    0.2660    0.0342    0.2676    0.0017    1

###            No.135                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3070    1.3058    1.3357  117.9386  117.8806  115.2748      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3173    1.3173    1.3173  117.0509  117.0509  117.0509      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0064    0.0064    0.0110    0.3319    0.3319    0.6996      0.0000         0.0132    0.0132
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4249    1.2411    0.8084)
 a2 = (    0.7044    0.5149    1.2729)
 a3 = (    1.1692    0.8197    0.5856)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4186    1.2449    0.8144) (    0.0079    0.0046    0.0059)
 a2 = (    0.6835    0.5335    1.2792) (    0.0058    0.0105    0.0045)
 a3 = (    1.1686    0.8210    0.5905) (    0.0092    0.0080    0.0066)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   36.8277  118.4525   91.0478    0.3048    0.2512    0.4027
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0027      0.0021    0.0020    0.0118

# Number of computed bands
            400            219
# Figure of merit at the beginning and the end of the refinement
         4.0023        30.4711
# Chi-squares at the beginning and the end of the refinement
    0.5288    0.0252
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7218   -0.0466   -0.7289   -0.0565    0.0122    1
    2    2   -1    0   -0.0129   -0.1738   -0.0133   -0.1793    0.0055    1
    3   -5    3    1   -0.0261    0.0865   -0.0241    0.0824    0.0045    1
    4    1    0    0   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    3   -1   -1    0.0560   -0.2232    0.0566   -0.2258    0.0026    1
    6   -2    1    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    2    0   -1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    5   -1   -3    0.1428   -0.2210    0.1441   -0.2219    0.0016    1
    9   -3    1    3   -0.1932    0.0493   -0.1940    0.0483    0.0013    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    1   -3    0.5394   -0.6278    0.5314   -0.6143    0.0157    1
   12   -1    0    2   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    3    1   -5    0.1989   -0.0072    0.1981   -0.0091    0.0021    1
   14    2    1   -3    0.5391   -0.1484    0.5323   -0.1459    0.0072    1
   15    0    0    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1    1   -3    0.1255    0.0371    0.1256    0.0356    0.0015    1
   17    1    1   -2    0.7458   -0.0719    0.7260   -0.0804    0.0215    1
   18    4    3   -6    0.8863   -0.4402    1.0655   -0.4953    0.1874    0
   19    0    1   -2    0.0423    0.0291    0.0407    0.0272    0.0024    1
   20    1    3   -5    0.4437    0.1761    0.4436    0.1639    0.0123    1
   21    1   -1    1   -0.0339   -0.0588   -0.0357   -0.0605    0.0025    1
   22   -1    3   -3    0.2866    0.3396    0.2970    0.3320    0.0128    1
   23   -3    3   -1    0.0294    0.2662    0.0342    0.2676    0.0050    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7294   -0.0561   -0.7289   -0.0565    0.0006    1
    2    2   -1    0   -0.0134   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -5    3    1   -0.0249    0.0855   -0.0241    0.0824    0.0032    1
    4    1    0    0   -0.1966   -0.5865   -0.1976   -0.5890    0.0027    1
    5    3   -1   -1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    1    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    2    0   -1    0.1190   -0.5973    0.1201   -0.5972    0.0011    1
    8    5   -1   -3    0.1447   -0.2223    0.1441   -0.2219    0.0007    1
    9   -3    1    3   -0.1937    0.0486   -0.1940    0.0483    0.0004    1
   10    1    0   -1    0.2262   -0.1279    0.2267   -0.1283    0.0007    1
   11    3    1   -3    0.5341   -0.6153    0.5314   -0.6143    0.0028    1
   12   -1    0    2   -0.1822   -0.0381   -0.1815   -0.0378    0.0007    1
   13    3    1   -5    0.1969   -0.0085    0.1981   -0.0091    0.0013    1
   14    2    1   -3    0.5294   -0.1496    0.5323   -0.1459    0.0047    1
   15    0    0    1   -0.3369   -0.2373   -0.3358   -0.2354    0.0022    1
   16    1    1   -3    0.1242    0.0349    0.1256    0.0356    0.0016    1
   17    1    1   -2    0.7287   -0.0807    0.7260   -0.0804    0.0027    1
   18    3    3   -5    1.0600   -0.5142    1.0655   -0.4953    0.0197    1
   19    0    1   -2    0.0414    0.0271    0.0407    0.0272    0.0007    1
   20    1    3   -5    0.4415    0.1643    0.4436    0.1639    0.0021    1
   21    1   -1    1   -0.0353   -0.0610   -0.0357   -0.0605    0.0006    1
   22   -1    3   -3    0.2947    0.3305    0.2970    0.3320    0.0027    1
   23   -3    3   -1    0.0343    0.2667    0.0342    0.2676    0.0009    1

###            No.136                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3209    1.3154    1.3144  116.9034  117.1024  117.1301      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3142    1.3142    1.3142  117.0077  117.0077  117.0077      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0059    0.0059    0.0100    0.3008    0.3008    0.6352      0.0000         0.0120    0.0120
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6820    0.5314    1.2765)
 a2 = (    1.1694    0.8198    0.5910)
 a3 = (    0.4178    1.2453    0.8160)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6783    0.5261    1.2772) (    0.0065    0.0089    0.0052)
 a2 = (    1.1651    0.8157    0.5877) (    0.0056    0.0083    0.0061)
 a3 = (    0.4129    1.2401    0.8123) (    0.0081    0.0096    0.0057)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  123.8156   92.6026 -146.0787    0.3455    0.2584    0.3765
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0043      0.0021    0.0021    0.0119

# Number of computed bands
            223            224
# Figure of merit at the beginning and the end of the refinement
        22.5996        28.9524
# Chi-squares at the beginning and the end of the refinement
    0.0968    0.0214
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7296   -0.0539   -0.7289   -0.0565    0.0027    1
    2   -1    0    2   -0.0141   -0.1803   -0.0133   -0.1793    0.0013    1
    3    3    1   -5   -0.0243    0.0822   -0.0241    0.0824    0.0003    1
    4    0    0    1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1   -1    3    0.0574   -0.2290    0.0566   -0.2258    0.0033    1
    6    1    1   -2   -0.1027    0.1152   -0.1046    0.1173    0.0028    1
    7    0   -1    2    0.1197   -0.5992    0.1201   -0.5972    0.0020    1
    8   -1   -3    5    0.1455   -0.2240    0.1441   -0.2219    0.0025    1
    9    1    3   -3   -0.1925    0.0488   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3    3    0.5345   -0.6145    0.5314   -0.6143    0.0031    1
   12    0    2   -1   -0.1829   -0.0375   -0.1815   -0.0378    0.0013    1
   13    1   -5    3    0.1964   -0.0084    0.1981   -0.0091    0.0019    1
   14    1   -3    2    0.5283   -0.1493    0.5323   -0.1459    0.0053    1
   15    0    1    0   -0.3389   -0.2376   -0.3358   -0.2354    0.0038    1
   16    1   -3    1    0.1228    0.0348    0.1256    0.0356    0.0029    1
   17    1   -2    1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    3   -5    3    1.0573   -0.5110    1.0655   -0.4953    0.0177    1
   19    1   -2    0    0.0394    0.0264    0.0407    0.0272    0.0016    1
   20    3   -5    1    0.4389    0.1634    0.4436    0.1639    0.0047    1
   21   -1    1    1   -0.0372   -0.0631   -0.0357   -0.0605    0.0030    1
   22    3   -3   -1    0.2920    0.3278    0.2970    0.3320    0.0066    1
   23    3   -1   -3    0.0334    0.2627    0.0342    0.2676    0.0050    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7287   -0.0524   -0.7289   -0.0565    0.0041    1
    2   -1    0    2   -0.0130   -0.1766   -0.0133   -0.1793    0.0027    1
    3    3    1   -5   -0.0254    0.0853   -0.0241    0.0824    0.0032    1
    4    0    0    1   -0.1952   -0.5877   -0.1976   -0.5890    0.0027    1
    5   -1   -1    3    0.0575   -0.2255    0.0566   -0.2258    0.0009    1
    6    1    1   -2   -0.1042    0.1162   -0.1046    0.1173    0.0012    1
    7    0   -1    2    0.1217   -0.5962    0.1201   -0.5972    0.0018    1
    8   -1   -3    5    0.1446   -0.2214    0.1441   -0.2219    0.0007    1
    9    1    3   -3   -0.1920    0.0483   -0.1940    0.0483    0.0021    1
   10    0   -1    1    0.2258   -0.1279    0.2267   -0.1283    0.0010    1
   11    1   -3    3    0.5356   -0.6108    0.5314   -0.6143    0.0054    1
   12    0    2   -1   -0.1807   -0.0375   -0.1815   -0.0378    0.0008    1
   13    1   -5    3    0.1975   -0.0091    0.1981   -0.0091    0.0006    1
   14    1   -3    2    0.5281   -0.1488    0.5323   -0.1459    0.0051    1
   15    0    1    0   -0.3368   -0.2366   -0.3358   -0.2354    0.0015    1
   16    1   -3    1    0.1254    0.0349    0.1256    0.0356    0.0008    1
   17    1   -2    1    0.7263   -0.0796    0.7260   -0.0804    0.0009    1
   18    3   -5    3    1.0579   -0.5062    1.0655   -0.4953    0.0133    1
   19    1   -2    0    0.0427    0.0278    0.0407    0.0272    0.0020    1
   20    3   -5    1    0.4416    0.1641    0.4436    0.1639    0.0020    1
   21   -1    1    1   -0.0347   -0.0600   -0.0357   -0.0605    0.0012    1
   22    3   -3   -1    0.2948    0.3309    0.2970    0.3320    0.0025    1
   23    3   -1   -3    0.0336    0.2669    0.0342    0.2676    0.0009    1

###            No.137                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3130    1.3056    1.3269  117.5862  117.7287  115.7420      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3145    1.3145    1.3145  117.0119  117.0119  117.0119      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0055    0.0055    0.0093    0.2819    0.2819    0.5951      0.0000         0.0113    0.0113
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.4547   -0.3848    0.3054)
 a2 = (    0.9587   -0.6799    0.9985)
 a3 = (    1.0063   -1.1456    0.2434)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.4639   -0.3687    0.3021) (    0.0027    0.0088    0.0066)
 a2 = (    0.9769   -0.6577    0.9915) (    0.0080    0.0078    0.0065)
 a3 = (    1.0120   -1.1353    0.2387) (    0.0074    0.0081    0.0073)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   12.7553  117.2885   -8.2105    0.2813    0.2560    0.3353
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0055      0.0021    0.0022    0.0112

# Number of computed bands
            225            223
# Figure of merit at the beginning and the end of the refinement
        14.2512        28.8211
# Chi-squares at the beginning and the end of the refinement
    0.2183    0.0219
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7512   -0.0432   -0.7289   -0.0565    0.0260    1
    2    3    1   -5   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3   -1    0    2   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    1    1   -2   -0.1967   -0.6020   -0.1976   -0.5890    0.0130    1
    5    1    1   -3    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    0    0    1   -0.1053    0.1199   -0.1046    0.1173    0.0027    1
    7    1    3   -5    0.1280   -0.6037    0.1201   -0.5972    0.0103    1
    8    0    1   -2    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    1    0    0   -0.1962    0.0519   -0.1940    0.0483    0.0042    1
   10   -1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3   -3    0.5467   -0.6098    0.5314   -0.6143    0.0159    1
   12    2    0   -1   -0.1858   -0.0367   -0.1815   -0.0378    0.0044    1
   13   -2    1    0    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14   -2    2   -1    0.5309   -0.1476    0.5323   -0.1459    0.0022    1
   15    3    1   -3   -0.3465   -0.2410   -0.3358   -0.2354    0.0121    1
   16   -3    1    1    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17   -3    3   -1    0.7281   -0.0760    0.7260   -0.0804    0.0048    1
   18   -3    5   -3    1.0664   -0.4908    1.0655   -0.4953    0.0046    1
   19   -5    1    3    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20   -5    3    1    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -3    1    3    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7296   -0.0561   -0.7289   -0.0565    0.0008    1
    2    3    1   -5   -0.0136   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1    0    2   -0.0245    0.0839   -0.0241    0.0824    0.0015    1
    4    1    1   -2   -0.1961   -0.5870   -0.1976   -0.5890    0.0025    1
    5    1    1   -3    0.0572   -0.2276    0.0566   -0.2258    0.0019    1
    6    0    0    1   -0.1035    0.1161   -0.1046    0.1173    0.0017    1
    7    1    3   -5    0.1196   -0.5979    0.1201   -0.5972    0.0009    1
    8    0    1   -2    0.1451   -0.2234    0.1441   -0.2219    0.0018    1
    9    1    0    0   -0.1926    0.0481   -0.1940    0.0483    0.0015    1
   10   -1    1   -1    0.2271   -0.1285    0.2267   -0.1283    0.0005    1
   11   -1    3   -3    0.5353   -0.6145    0.5314   -0.6143    0.0038    1
   12    2    0   -1   -0.1815   -0.0383   -0.1815   -0.0378    0.0005    1
   13   -2    1    0    0.1975   -0.0085    0.1981   -0.0091    0.0009    1
   14   -2    2   -1    0.5297   -0.1490    0.5323   -0.1459    0.0040    1
   15    3    1   -3   -0.3364   -0.2376   -0.3358   -0.2354    0.0023    1
   16   -3    1    1    0.1244    0.0350    0.1256    0.0356    0.0014    1
   17   -3    3   -1    0.7276   -0.0793    0.7260   -0.0804    0.0019    1
   18   -3    5   -3    1.0596   -0.5100    1.0655   -0.4953    0.0159    1
   19   -5    1    3    0.0413    0.0270    0.0407    0.0272    0.0006    1
   20   -5    3    1    0.4402    0.1643    0.4436    0.1639    0.0034    1
   21    1    0   -1   -0.0356   -0.0615   -0.0357   -0.0605    0.0009    1
   22   -2    1    1    0.2932    0.3289    0.2970    0.3320    0.0049    1
   23   -3    1    3    0.0343    0.2647    0.0342    0.2676    0.0030    1

###            No.138                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3117    1.3121    1.3123  117.4060  116.9645  116.5567      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3161    1.3161    1.3161  117.0338  117.0338  117.0338      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0073    0.0073    0.0125    0.3774    0.3774    0.7960      0.0000         0.0151    0.0151
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.2183    0.1453    0.9118)
 a2 = (   -0.4952    0.2014    1.4381)
 a3 = (   -0.7654    0.9138    0.9745)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.2358    0.1359    0.9136) (    0.0040    0.0084    0.0056)
 a2 = (   -0.5192    0.1893    1.4404) (    0.0111    0.0069    0.0042)
 a3 = (   -0.7845    0.9017    0.9756) (    0.0074    0.0110    0.0055)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   36.6381   97.1288  178.9965    0.2574    0.2571    0.3726
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0034      0.0021    0.0020    0.0115

# Number of computed bands
            400            275
# Figure of merit at the beginning and the end of the refinement
         9.3125        28.1789
# Chi-squares at the beginning and the end of the refinement
    0.1852    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2   -3   -1    5   -0.0145   -0.1766   -0.0133   -0.1793    0.0030    1
    3    1    3   -5   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4   -3    1    3   -0.1998   -0.5799   -0.1976   -0.5890    0.0093    1
    5   -1   -1    3    0.0550   -0.2261    0.0566   -0.2258    0.0016    1
    6   -1    3   -3   -0.1042    0.1173   -0.1046    0.1173    0.0004    1
    7   -1    0    2    0.1107   -0.5960    0.1201   -0.5972    0.0095    1
    8    0   -1    2    0.1423   -0.2235    0.1441   -0.2219    0.0023    1
    9   -3    3   -1   -0.1935    0.0492   -0.1940    0.0483    0.0010    1
   10    1   -1    1    0.2260   -0.1302    0.2267   -0.1283    0.0020    1
   11    0    0    1    0.5249   -0.6267    0.5314   -0.6143    0.0140    1
   12   -5    3    1   -0.1823   -0.0376   -0.1815   -0.0378    0.0008    1
   13    2   -1    0    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    3   -1    1    0.5331   -0.1560    0.5323   -0.1459    0.0101    1
   15   -2    1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    3   -1   -1    0.1248    0.0354    0.1256    0.0356    0.0009    1
   17    1    0    0    0.7379   -0.0880    0.7260   -0.0804    0.0141    1
   18    1    1    1    1.0655   -0.5418    1.0655   -0.4953    0.0466    0
   19    5   -1   -3    0.0412    0.0277    0.0407    0.0272    0.0007    1
   20    2    0   -1    0.4461    0.1663    0.4436    0.1639    0.0035    1
   21   -1    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    3    1   -3    0.2947    0.3344    0.2970    0.3320    0.0033    1
   23    1    1   -2    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2   -3   -1    5   -0.0133   -0.1770   -0.0133   -0.1793    0.0024    1
    3    1    3   -5   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4   -3    1    3   -0.1963   -0.5864   -0.1976   -0.5890    0.0029    1
    5   -1   -1    3    0.0572   -0.2261    0.0566   -0.2258    0.0007    1
    6   -1    3   -3   -0.1043    0.1168   -0.1046    0.1173    0.0006    1
    7   -1    0    2    0.1196   -0.5968    0.1201   -0.5972    0.0006    1
    8    0   -1    2    0.1446   -0.2221    0.1441   -0.2219    0.0005    1
    9   -3    3   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    1   -1    1    0.2263   -0.1280    0.2267   -0.1283    0.0005    1
   11    0    0    1    0.5344   -0.6142    0.5314   -0.6143    0.0030    1
   12   -5    3    1   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    2   -1    0    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    3   -1    1    0.5293   -0.1495    0.5323   -0.1459    0.0047    1
   15   -2    1    1   -0.3364   -0.2367   -0.3358   -0.2354    0.0014    1
   16    3   -1   -1    0.1250    0.0350    0.1256    0.0356    0.0009    1
   17    1    0    0    0.7284   -0.0805    0.7260   -0.0804    0.0024    1
   18    1    1    1    1.0599   -0.5122    1.0655   -0.4953    0.0179    1
   19    5   -1   -3    0.0422    0.0275    0.0407    0.0272    0.0014    1
   20    2    0   -1    0.4419    0.1644    0.4436    0.1639    0.0017    1
   21   -1    0    1   -0.0349   -0.0604   -0.0357   -0.0605    0.0008    1
   22    3    1   -3    0.2949    0.3309    0.2970    0.3320    0.0024    1
   23    1    1   -2    0.0341    0.2669    0.0342    0.2676    0.0008    1

###            No.139                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3153    1.3104    1.3155  117.0853  117.2227  116.6920      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3162    1.3162    1.3162  117.0353  117.0353  117.0353      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0073    0.0073    0.0124    0.3737    0.3737    0.7883      0.0000         0.0149    0.0149
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5123   -0.1926   -1.4338)
 a2 = (    1.2343   -0.1366   -0.9083)
 a3 = (    0.7820   -0.9039   -0.9709)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5202   -0.1884   -1.4404) (    0.0109    0.0067    0.0042)
 a2 = (    1.2364   -0.1348   -0.9133) (    0.0039    0.0082    0.0055)
 a3 = (    0.7857   -0.9007   -0.9759) (    0.0072    0.0107    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -70.1754   82.8964   -0.9714    0.4484    0.2535    0.3663
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0042      0.0021    0.0020    0.0113

# Number of computed bands
            281            275
# Figure of merit at the beginning and the end of the refinement
        20.8281        27.7676
# Chi-squares at the beginning and the end of the refinement
    0.0793    0.0204
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2    1    3   -5   -0.0137   -0.1765   -0.0133   -0.1793    0.0028    1
    3   -3   -1    5   -0.0257    0.0857   -0.0241    0.0824    0.0037    1
    4   -1    3   -3   -0.1975   -0.5832   -0.1976   -0.5890    0.0058    1
    5    1    1   -3    0.0567   -0.2252    0.0566   -0.2258    0.0006    1
    6   -3    1    3   -0.1052    0.1169   -0.1046    0.1173    0.0007    1
    7    0    1   -2    0.1174   -0.5952    0.1201   -0.5972    0.0033    1
    8    1    0   -2    0.1438   -0.2208    0.1441   -0.2219    0.0012    1
    9   -3    3    1   -0.1934    0.0483   -0.1940    0.0483    0.0006    1
   10    1   -1   -1    0.2247   -0.1267    0.2267   -0.1283    0.0026    1
   11    0    0   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -3    5   -1   -0.1819   -0.0377   -0.1815   -0.0378    0.0004    1
   13    1   -2    0    0.1953   -0.0081    0.1981   -0.0091    0.0030    1
   14    1   -3   -1    0.5273   -0.1488    0.5323   -0.1459    0.0057    1
   15   -1    2   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1   -3    1    0.1229    0.0350    0.1256    0.0356    0.0027    1
   17    0   -1    0    0.7269   -0.0805    0.7260   -0.0804    0.0009    1
   18   -1   -1   -1    1.0585   -0.5162    1.0655   -0.4953    0.0221    1
   19    1   -5    3    0.0406    0.0272    0.0407    0.0272    0.0001    1
   20    0   -2    1    0.4399    0.1645    0.4436    0.1639    0.0037    1
   21    0    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3    3    0.2932    0.3309    0.2970    0.3320    0.0039    1
   23   -1   -1    2    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7284   -0.0548   -0.7289   -0.0565    0.0017    1
    2    1    3   -5   -0.0132   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -3   -1    5   -0.0250    0.0851   -0.0241    0.0824    0.0028    1
    4   -1    3   -3   -0.1958   -0.5868   -0.1976   -0.5890    0.0028    1
    5    1    1   -3    0.0575   -0.2262    0.0566   -0.2258    0.0010    1
    6   -3    1    3   -0.1042    0.1166   -0.1046    0.1173    0.0008    1
    7    0    1   -2    0.1203   -0.5967    0.1201   -0.5972    0.0005    1
    8    1    0   -2    0.1448   -0.2219    0.1441   -0.2219    0.0008    1
    9   -3    3    1   -0.1928    0.0484   -0.1940    0.0483    0.0013    1
   10    1   -1   -1    0.2262   -0.1276    0.2267   -0.1283    0.0009    1
   11    0    0   -1    0.5349   -0.6131    0.5314   -0.6143    0.0037    1
   12   -3    5   -1   -0.1815   -0.0379   -0.1815   -0.0378    0.0001    1
   13    1   -2    0    0.1970   -0.0085    0.1981   -0.0091    0.0013    1
   14    1   -3   -1    0.5288   -0.1488    0.5323   -0.1459    0.0045    1
   15   -1    2   -1   -0.3366   -0.2370   -0.3358   -0.2354    0.0018    1
   16    1   -3    1    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17    0   -1    0    0.7274   -0.0796    0.7260   -0.0804    0.0016    1
   18   -1   -1   -1    1.0593   -0.5101    1.0655   -0.4953    0.0160    1
   19    1   -5    3    0.0416    0.0273    0.0407    0.0272    0.0009    1
   20    0   -2    1    0.4409    0.1644    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0351   -0.0608   -0.0357   -0.0605    0.0006    1
   22   -1   -3    3    0.2940    0.3304    0.2970    0.3320    0.0034    1
   23   -1   -1    2    0.0339    0.2662    0.0342    0.2676    0.0014    1

###            No.141                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3142    1.2989    1.3203  117.0745  117.6431  116.1666      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3159    1.3159    1.3159  117.0313  117.0313  117.0313      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0064    0.0064    0.0110    0.3310    0.3310    0.6984      0.0000         0.0132    0.0132
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9195    1.0442   -0.6292)
 a2 = (    0.1937    0.9880   -1.1615)
 a3 = (    0.1722    1.4673   -0.4055)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9364    1.0533   -0.6268) (    0.0073    0.0062    0.0063)
 a2 = (    0.2197    0.9999   -1.1537) (    0.0110    0.0057    0.0057)
 a3 = (    0.1856    1.4775   -0.4021) (    0.0092    0.0078    0.0075)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -151.2331   57.6109 -148.0257    0.3080    0.2656    0.3734
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0033      0.0022    0.0021    0.0111

# Number of computed bands
            400            289
# Figure of merit at the beginning and the end of the refinement
         8.0289        27.5802
# Chi-squares at the beginning and the end of the refinement
    0.0889    0.0106
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -1    2   -0.0139   -0.1789   -0.0133   -0.1793    0.0007    1
    3    1    0   -2   -0.0268    0.0880   -0.0241    0.0824    0.0062    1
    4    1   -3    3   -0.2033   -0.5901   -0.1976   -0.5890    0.0058    1
    5   -1   -1    3    0.0573   -0.2278    0.0566   -0.2258    0.0022    1
    6    3   -1   -3   -0.1081    0.1192   -0.1046    0.1173    0.0040    1
    7   -1   -3    5    0.1161   -0.6044    0.1201   -0.5972    0.0083    1
    8   -3   -1    5    0.1452   -0.2232    0.1441   -0.2219    0.0017    1
    9    2   -1   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    5   -3   -1   -0.1856   -0.0381   -0.1815   -0.0378    0.0041    1
   13   -5    1    3    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14   -5   -1    5    0.5360   -0.1538    0.5323   -0.1459    0.0087    1
   15    3   -3    1   -0.3414   -0.2377   -0.3358   -0.2354    0.0061    1
   16   -3    1    1    0.1241    0.0351    0.1256    0.0356    0.0016    1
   17   -3   -1    3    0.7425   -0.0857    0.7260   -0.0804    0.0174    1
   18   -3   -3    5    1.0793   -0.5399    1.0655   -0.4953    0.0468    0
   19   -2    1    0    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20   -2    0    1    0.4493    0.1675    0.4436    0.1639    0.0068    1
   21    1   -1    1   -0.0364   -0.0617   -0.0357   -0.0605    0.0014    1
   22   -1    0    0    0.2989    0.3394    0.2970    0.3320    0.0076    1
   23    0    0   -1    0.0320    0.2726    0.0342    0.2676    0.0054    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2    0   -1    2   -0.0133   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1    0   -2   -0.0250    0.0851   -0.0241    0.0824    0.0028    1
    4    1   -3    3   -0.1964   -0.5870   -0.1976   -0.5890    0.0023    1
    5   -1   -1    3    0.0574   -0.2266    0.0566   -0.2258    0.0012    1
    6    3   -1   -3   -0.1041    0.1165   -0.1046    0.1173    0.0010    1
    7   -1   -3    5    0.1200   -0.5974    0.1201   -0.5972    0.0003    1
    8   -3   -1    5    0.1449   -0.2224    0.1441   -0.2219    0.0010    1
    9    2   -1   -1   -0.1925    0.0484   -0.1940    0.0483    0.0015    1
   10   -1    0    1    0.2265   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -1    2    0.5348   -0.6143    0.5314   -0.6143    0.0034    1
   12    5   -3   -1   -0.1813   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -5    1    3    0.1976   -0.0088    0.1981   -0.0091    0.0006    1
   14   -5   -1    5    0.5295   -0.1497    0.5323   -0.1459    0.0046    1
   15    3   -3    1   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16   -3    1    1    0.1250    0.0350    0.1256    0.0356    0.0009    1
   17   -3   -1    3    0.7285   -0.0807    0.7260   -0.0804    0.0025    1
   18   -3   -3    5    1.0599   -0.5125    1.0655   -0.4953    0.0181    1
   19   -2    1    0    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -2    0    1    0.4421    0.1643    0.4436    0.1639    0.0015    1
   21    1   -1    1   -0.0351   -0.0607   -0.0357   -0.0605    0.0006    1
   22   -1    0    0    0.2950    0.3309    0.2970    0.3320    0.0023    1
   23    0    0   -1    0.0340    0.2667    0.0342    0.2676    0.0010    1

###            No.142                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0979    1.0637    1.0842  107.6325  111.5074  106.9766      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0840    1.0840    1.0840  108.9196  108.9196  108.9196      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0069    0.0069    0.0088    0.0007    0.0007    0.5565      0.0000         0.0145    0.0145
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9256    0.5240    0.2771)
 a2 = (   -0.2683    0.8958   -0.5933)
 a3 = (   -0.8990   -0.0697   -0.6592)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9342    0.5295    0.2872) (    0.0033    0.0054    0.0058)
 a2 = (   -0.3090    0.8924   -0.5861) (    0.0148    0.0052    0.0044)
 a3 = (   -0.8853   -0.0805   -0.6672) (    0.0137    0.0079    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  160.8082  128.1833  -41.6880    0.4642    0.4320    0.5224
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0006    0.0003    0.0123      0.0023    0.0021    0.0107

# Number of computed bands
            400             71
# Figure of merit at the beginning and the end of the refinement
         4.5372        27.4581
# Chi-squares at the beginning and the end of the refinement
    2.2105    0.1072
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2    3   -3   -0.0020   -0.1906   -0.0133   -0.1793    0.0159    1
    3   -1   -2    1   -0.0235    0.0994   -0.0241    0.0824    0.0170    1
    4    1    1   -2   -0.2166   -0.5589   -0.1976   -0.5890    0.0356    0
    5    1    1   -1    0.0439   -0.2216    0.0566   -0.2258    0.0134    1
    6   -1   -1    0   -0.1097    0.1305   -0.1046    0.1173    0.0142    1
    7    2    1   -2    0.0926   -0.5998    0.1201   -0.5972    0.0277    0
    8    2    1   -1    0.1365   -0.2252    0.1441   -0.2219    0.0083    1
    9   -1    0   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1    1   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    2   -1    1    0.1965   -0.0065    0.1981   -0.0091    0.0030    1
   14    3   -1    0    0.5294   -0.1427    0.5323   -0.1459    0.0043    1
   15    0    1   -2   -0.3251   -0.2200   -0.3358   -0.2354    0.0187    1
   16    1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -1    0    0.7183   -0.0691    0.7260   -0.0804    0.0137    1
   18    3   -1   -1    1.0658   -0.4939    1.0655   -0.4953    0.0013    1
   19    1   -2    2    0.0470    0.0302    0.0407    0.0272    0.0069    1
   20    2   -2    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    0    1   -1   -0.0312   -0.0478   -0.0357   -0.0605    0.0135    1
   22    1   -2    1    0.3006    0.3121    0.2970    0.3320    0.0203    1
   23    0   -2    1    0.0532    0.2730    0.0342    0.2676    0.0198    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7377   -0.0668   -0.7289   -0.0565    0.0135    1
    2    1    2   -2   -0.0151   -0.1776   -0.0133   -0.1793    0.0025    1
    3   -1   -2    1   -0.0226    0.0837   -0.0241    0.0824    0.0019    1
    4    1    1   -2   -0.1932   -0.5813   -0.1976   -0.5890    0.0088    1
    5    1    1   -1    0.0552   -0.2289    0.0566   -0.2258    0.0034    1
    6   -1   -1    0   -0.1023    0.1180   -0.1046    0.1173    0.0024    1
    7    2    1   -2    0.1154   -0.5961    0.1201   -0.5972    0.0048    1
    8    2    1   -1    0.1449   -0.2266    0.1441   -0.2219    0.0048    1
    9   -1    0   -1   -0.1938    0.0483   -0.1940    0.0483    0.0002    1
   10    1    0    0    0.2304   -0.1300    0.2267   -0.1283    0.0041    1
   11    2    0   -1    0.5329   -0.6168    0.5314   -0.6143    0.0029    1
   12   -1    1   -2   -0.1808   -0.0394   -0.1815   -0.0378    0.0018    1
   13    2   -1    1    0.1997   -0.0067    0.1981   -0.0091    0.0028    1
   14    3   -1    0    0.5326   -0.1482    0.5323   -0.1459    0.0023    1
   15    0    1   -2   -0.3322   -0.2396   -0.3358   -0.2354    0.0055    1
   16    1   -1    1    0.1247    0.0367    0.1256    0.0356    0.0014    1
   17    2   -1    0    0.7274   -0.0773    0.7260   -0.0804    0.0033    1
   18    3   -1   -1    1.0540   -0.5084    1.0655   -0.4953    0.0174    1
   19    1   -2    2    0.0411    0.0278    0.0407    0.0272    0.0007    1
   20    2   -2    1    0.4375    0.1652    0.4436    0.1639    0.0062    1
   21    0    1   -1   -0.0355   -0.0607   -0.0357   -0.0605    0.0002    1
   22    1   -2    1    0.2919    0.3241    0.2970    0.3320    0.0094    1
   23    0   -2    1    0.0382    0.2623    0.0342    0.2676    0.0067    1

###            No.148                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3155    1.3127    1.3175  117.0417  117.2742  116.7506      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3190    1.3190    1.3190  117.0746  117.0746  117.0746      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0065    0.0065    0.0112    0.3385    0.3385    0.7128      0.0000         0.0134    0.0134
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2251    0.9941   -1.1551)
 a2 = (    0.1883    1.4750   -0.4027)
 a3 = (    0.9391    1.0499   -0.6275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2243    1.0086   -1.1541) (    0.0087    0.0064    0.0059)
 a2 = (    0.1894    1.4835   -0.4035) (    0.0097    0.0022    0.0069)
 a3 = (    0.9385    1.0606   -0.6275) (    0.0116    0.0059    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -48.5361   83.8337   84.3944    0.3335    0.2487    0.3580
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0008    0.0031      0.0021    0.0022    0.0148

# Number of computed bands
            295            282
# Figure of merit at the beginning and the end of the refinement
        24.2457        26.3818
# Chi-squares at the beginning and the end of the refinement
    0.0687    0.0207
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7344   -0.0574   -0.7289   -0.0565    0.0056    1
    2   -1    2    0   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3    0   -2    1   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -3    3    1   -0.1957   -0.5887   -0.1976   -0.5890    0.0019    1
    5   -1    3   -1    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6   -1   -3    3   -0.1053    0.1178   -0.1046    0.1173    0.0008    1
    7   -3    5   -1    0.1203   -0.5977    0.1201   -0.5972    0.0006    1
    8   -1    5   -3    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1   -1    2   -0.1944    0.0490   -0.1940    0.0483    0.0008    1
   10    0    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    2   -1    0.5340   -0.6142    0.5314   -0.6143    0.0026    1
   12   -3   -1    5   -0.1828   -0.0378   -0.1815   -0.0378    0.0013    1
   13    1    3   -5    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14   -1    5   -5    0.5299   -0.1506    0.5323   -0.1459    0.0053    1
   15   -3    1    3   -0.3383   -0.2384   -0.3358   -0.2354    0.0039    1
   16    1    1   -3    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17   -1    3   -3    0.7290   -0.0827    0.7260   -0.0804    0.0038    1
   18   -3    5   -3    1.0562   -0.5146    1.0655   -0.4953    0.0214    1
   19    1    0   -2    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20    0    1   -2    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21   -1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    0   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    0   -1    0    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7306   -0.0540   -0.7289   -0.0565    0.0030    1
    2   -1    2    0   -0.0133   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0   -2    1   -0.0249    0.0857   -0.0241    0.0824    0.0034    1
    4   -3    3    1   -0.1959   -0.5863   -0.1976   -0.5890    0.0031    1
    5   -1    3   -1    0.0567   -0.2258    0.0566   -0.2258    0.0001    1
    6   -1   -3    3   -0.1043    0.1172   -0.1046    0.1173    0.0003    1
    7   -3    5   -1    0.1195   -0.5972    0.1201   -0.5972    0.0007    1
    8   -1    5   -3    0.1442   -0.2224    0.1441   -0.2219    0.0004    1
    9   -1   -1    2   -0.1932    0.0483   -0.1940    0.0483    0.0008    1
   10    0    1   -1    0.2266   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1    2   -1    0.5367   -0.6148    0.5314   -0.6143    0.0053    1
   12   -3   -1    5   -0.1812   -0.0384   -0.1815   -0.0378    0.0007    1
   13    1    3   -5    0.1978   -0.0086    0.1981   -0.0091    0.0006    1
   14   -1    5   -5    0.5305   -0.1484    0.5323   -0.1459    0.0030    1
   15   -3    1    3   -0.3360   -0.2373   -0.3358   -0.2354    0.0019    1
   16    1    1   -3    0.1251    0.0350    0.1256    0.0356    0.0008    1
   17   -1    3   -3    0.7290   -0.0774    0.7260   -0.0804    0.0042    1
   18   -3    5   -3    1.0646   -0.5073    1.0655   -0.4953    0.0121    1
   19    1    0   -2    0.0424    0.0274    0.0407    0.0272    0.0017    1
   20    0    1   -2    0.4407    0.1656    0.4436    0.1639    0.0034    1
   21   -1    1    1   -0.0344   -0.0601   -0.0357   -0.0605    0.0014    1
   22    0    0   -1    0.2932    0.3300    0.2970    0.3320    0.0042    1
   23    0   -1    0    0.0346    0.2661    0.0342    0.2676    0.0016    1

###            No.151                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3060    1.3076    1.3118  117.9493  116.6415  116.1753      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3196    1.3196    1.3196  117.0842  117.0842  117.0842      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0059    0.0059    0.0101    0.3070    0.3070    0.6464      0.0000         0.0122    0.0122
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9533   -0.6360    0.9912)
 a2 = (    1.0070   -1.1288    0.2381)
 a3 = (    1.4584   -0.3631    0.3005)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9902   -0.6636    0.9916) (    0.0064    0.0087    0.0064)
 a2 = (    1.0241   -1.1388    0.2417) (    0.0069    0.0062    0.0071)
 a3 = (    1.4734   -0.3750    0.3043) (    0.0070    0.0089    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  137.1654  109.8451  128.7001    0.3438    0.2468    0.3457
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0002      0.0021    0.0022    0.0136

# Number of computed bands
            241            224
# Figure of merit at the beginning and the end of the refinement
        10.3414        25.5807
# Chi-squares at the beginning and the end of the refinement
    0.5955    0.0335
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7438   -0.0687   -0.7289   -0.0565    0.0192    1
    2    1   -5    3   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3    0    2   -1   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -2    1   -0.1862   -0.5892   -0.1976   -0.5890    0.0114    1
    5    1   -3    1    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    0    1    0   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7    3   -5    1    0.1256   -0.5911    0.1201   -0.5972    0.0082    1
    8    1   -2    0    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    0    0    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -3   -1    0.5274   -0.5999    0.5314   -0.6143    0.0149    1
   12    0   -1    2   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13    1    0   -2    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14    2   -1   -2    0.5231   -0.1512    0.5323   -0.1459    0.0106    1
   15    1   -3    3   -0.3364   -0.2422   -0.3358   -0.2354    0.0068    1
   16    1    1   -3    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17    3   -1   -3    0.7164   -0.0882    0.7260   -0.0804    0.0124    1
   18    5   -3   -3    1.0221   -0.5038    1.0655   -0.4953    0.0443    1
   19    1    3   -5    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20    3    1   -5    0.4428    0.1579    0.4436    0.1639    0.0060    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1   -2    0.3014    0.3274    0.2970    0.3320    0.0065    1
   23    1    3   -3    0.0368    0.2690    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7281   -0.0514   -0.7289   -0.0565    0.0052    1
    2    1   -5    3   -0.0127   -0.1778   -0.0133   -0.1793    0.0017    1
    3    0    2   -1   -0.0256    0.0857   -0.0241    0.0824    0.0036    1
    4    1   -2    1   -0.1971   -0.5900   -0.1976   -0.5890    0.0011    1
    5    1   -3    1    0.0581   -0.2258    0.0566   -0.2258    0.0016    1
    6    0    1    0   -0.1051    0.1167   -0.1046    0.1173    0.0007    1
    7    3   -5    1    0.1219   -0.5979    0.1201   -0.5972    0.0019    1
    8    1   -2    0    0.1448   -0.2208    0.1441   -0.2219    0.0014    1
    9    0    0    1   -0.1934    0.0487   -0.1940    0.0483    0.0007    1
   10    1   -1   -1    0.2247   -0.1271    0.2267   -0.1283    0.0024    1
   11    3   -3   -1    0.5358   -0.6125    0.5314   -0.6143    0.0047    1
   12    0   -1    2   -0.1828   -0.0377   -0.1815   -0.0378    0.0012    1
   13    1    0   -2    0.1958   -0.0093    0.1981   -0.0091    0.0023    1
   14    2   -1   -2    0.5276   -0.1493    0.5323   -0.1459    0.0058    1
   15    1   -3    3   -0.3391   -0.2371   -0.3358   -0.2354    0.0038    1
   16    1    1   -3    0.1239    0.0341    0.1256    0.0356    0.0023    1
   17    3   -1   -3    0.7273   -0.0808    0.7260   -0.0804    0.0014    1
   18    5   -3   -3    1.0608   -0.5110    1.0655   -0.4953    0.0164    1
   19    1    3   -5    0.0414    0.0267    0.0407    0.0272    0.0009    1
   20    3    1   -5    0.4419    0.1636    0.4436    0.1639    0.0017    1
   21    0   -1    1   -0.0353   -0.0615   -0.0357   -0.0605    0.0010    1
   22    1    1   -2    0.2951    0.3319    0.2970    0.3320    0.0019    1
   23    1    3   -3    0.0329    0.2675    0.0342    0.2676    0.0013    1

###            No.153                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3235    1.3049    1.3185  116.6576  117.7149  116.7078      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3216    1.3216    1.3216  117.1119  117.1119  117.1119      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0062    0.0062    0.0106    0.3226    0.3226    0.6784      0.0000         0.0128    0.0128
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5264    0.1844    1.4329)
 a2 = (   -0.7845    0.9068    0.9740)
 a3 = (   -1.2383    0.1370    0.9100)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5334    0.1961    1.4472) (    0.0076    0.0101    0.0037)
 a2 = (   -0.7960    0.9045    0.9827) (    0.0062    0.0058    0.0056)
 a3 = (   -1.2449    0.1422    0.9205) (    0.0093    0.0078    0.0057)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  106.1483  104.2964  -60.6466    0.4437    0.2434    0.3479
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0004    0.0001    0.0054      0.0021    0.0020    0.0118

# Number of computed bands
            285            285
# Figure of merit at the beginning and the end of the refinement
        17.9181        19.8641
# Chi-squares at the beginning and the end of the refinement
    0.2726    0.0353
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7312   -0.0486   -0.7289   -0.0565    0.0082    1
    2   -1    5   -3   -0.0144   -0.1783   -0.0133   -0.1793    0.0015    1
    3    3   -5    1   -0.0234    0.0814   -0.0241    0.0824    0.0012    1
    4    1    3   -3   -0.1961   -0.5859   -0.1976   -0.5890    0.0035    1
    5   -1    3   -1    0.0559   -0.2276    0.0566   -0.2258    0.0020    1
    6    3   -3   -1   -0.1003    0.1149   -0.1046    0.1173    0.0049    1
    7    0    2   -1    0.1176   -0.5959    0.1201   -0.5972    0.0029    1
    8   -1    2    0    0.1435   -0.2243    0.1441   -0.2219    0.0024    1
    9    3   -1   -3   -0.1905    0.0499   -0.1940    0.0483    0.0039    1
   10   -1    1    1    0.2267   -0.1302    0.2267   -0.1283    0.0019    1
   11    0    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    3    1   -5   -0.1813   -0.0367   -0.1815   -0.0378    0.0011    1
   13   -1    0    2    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -1    1    3    0.5286   -0.1508    0.5323   -0.1459    0.0061    1
   15    1    1   -2   -0.3375   -0.2366   -0.3358   -0.2354    0.0021    1
   16   -1   -1    3    0.1245    0.0352    0.1256    0.0356    0.0012    1
   17    0    0    1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    1    1    1    1.0560   -0.5088    1.0655   -0.4953    0.0165    1
   19   -1   -3    5    0.0407    0.0273    0.0407    0.0272    0.0000    1
   20    0   -1    2    0.4387    0.1641    0.4436    0.1639    0.0049    1
   21    0    1   -1   -0.0363   -0.0616   -0.0357   -0.0605    0.0013    1
   22    1   -3    3    0.2900    0.3264    0.2970    0.3320    0.0089    1
   23    1   -2    1    0.0341    0.2602    0.0342    0.2676    0.0074    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7324   -0.0554   -0.7289   -0.0565    0.0037    1
    2   -1    5   -3   -0.0136   -0.1786   -0.0133   -0.1793    0.0008    1
    3    3   -5    1   -0.0255    0.0841   -0.0241    0.0824    0.0022    1
    4    1    3   -3   -0.1940   -0.5908   -0.1976   -0.5890    0.0041    1
    5   -1    3   -1    0.0581   -0.2278    0.0566   -0.2258    0.0026    1
    6    3   -3   -1   -0.1035    0.1152   -0.1046    0.1173    0.0024    1
    7    0    2   -1    0.1240   -0.5974    0.1201   -0.5972    0.0039    1
    8   -1    2    0    0.1462   -0.2232    0.1441   -0.2219    0.0024    1
    9    3   -1   -3   -0.1909    0.0484   -0.1940    0.0483    0.0031    1
   10   -1    1    1    0.2278   -0.1286    0.2267   -0.1283    0.0011    1
   11    0    1    0    0.5355   -0.6088    0.5314   -0.6143    0.0068    1
   12    3    1   -5   -0.1804   -0.0366   -0.1815   -0.0378    0.0017    1
   13   -1    0    2    0.1994   -0.0089    0.1981   -0.0091    0.0013    1
   14   -1    1    3    0.5285   -0.1500    0.5323   -0.1459    0.0056    1
   15    1    1   -2   -0.3380   -0.2374   -0.3358   -0.2354    0.0030    1
   16   -1   -1    3    0.1268    0.0358    0.1256    0.0356    0.0012    1
   17    0    0    1    0.7255   -0.0828    0.7260   -0.0804    0.0025    1
   18    1    1    1    1.0493   -0.5067    1.0655   -0.4953    0.0198    1
   19   -1   -3    5    0.0429    0.0289    0.0407    0.0272    0.0027    1
   20    0   -1    2    0.4440    0.1628    0.4436    0.1639    0.0011    1
   21    0    1   -1   -0.0359   -0.0601   -0.0357   -0.0605    0.0005    1
   22    1   -3    3    0.2978    0.3317    0.2970    0.3320    0.0008    1
   23    1   -2    1    0.0335    0.2679    0.0342    0.2676    0.0007    1

###            No.157                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2675    1.2675    1.3988  120.9457  120.6035  109.0983      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3050    1.3050    1.3050  116.8716  116.8716  116.8716      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0058    0.0058    0.0098    0.2945    0.2945    0.6255      0.0000         0.0120    0.0120
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1520   -0.8076   -0.5769)
 a2 = (   -0.5758   -0.5374   -1.3070)
 a3 = (   -0.4187   -1.2227   -0.7964)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.1558   -0.7977   -0.5795) (    0.0055    0.0083    0.0060)
 a2 = (   -0.6626   -0.5027   -1.2713) (    0.0064    0.0089    0.0050)
 a3 = (   -0.3975   -1.2250   -0.8058) (    0.0080    0.0096    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -157.5561   87.6955   33.6606    0.2441    0.2578    0.3751
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0011   -0.0017    0.0012      0.0021    0.0021    0.0119

# Number of computed bands
            400            237
# Figure of merit at the beginning and the end of the refinement
         2.3908        13.2746
# Chi-squares at the beginning and the end of the refinement
    9.6328    0.1293
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.8236   -0.0769   -0.7289   -0.0565    0.0968    0
    2    1    2   -5    0.0093   -0.1865   -0.0133   -0.1793    0.0237    0
    3   -2   -3    6   -0.0235    0.0634   -0.0241    0.0824    0.0190    0
    4    0    0   -1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    1    1   -3    0.0424   -0.2089    0.0566   -0.2258    0.0220    0
    6   -4   -3    7   -0.0876    0.0956   -0.1046    0.1173    0.0275    0
    7    1    0   -2    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    3    1   -5    0.1336   -0.2174    0.1441   -0.2219    0.0115    1
    9   -3   -1    3   -0.2194    0.0560   -0.1940    0.0483    0.0264    0
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1   -3    0.5489   -0.6025    0.5314   -0.6143    0.0210    1
   12   -2    0    1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    5   -1   -3    0.2063   -0.0088    0.1981   -0.0091    0.0081    1
   14    3   -1   -2    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1    0    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    3   -1   -1    0.1412    0.0380    0.1256    0.0356    0.0158    1
   17    2   -1   -1    0.7164   -0.0793    0.7260   -0.0804    0.0097    1
   18    5   -3   -3    1.0280   -0.4600    1.0655   -0.4953    0.0515    0
   19    6   -1   -3    0.0455    0.0057    0.0407    0.0272    0.0220    0
   20    5   -3   -1    0.4566    0.1520    0.4436    0.1639    0.0176    1
   21   -1    2   -3   -0.0337   -0.0911   -0.0357   -0.0605    0.0307    0
   22    3   -3    1    0.3422    0.3241    0.2970    0.3320    0.0459    0
   23    0   -3    4   -0.0036    0.2242    0.0342    0.2676    0.0576    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7337   -0.0405   -0.7289   -0.0565    0.0167    1
    2    0    1   -2   -0.0129   -0.1754   -0.0133   -0.1793    0.0040    1
    3   -1   -3    5   -0.0276    0.0857   -0.0241    0.0824    0.0048    1
    4    0    0   -1   -0.1940   -0.5961   -0.1976   -0.5890    0.0080    1
    5    1    1   -3    0.0576   -0.2245    0.0566   -0.2258    0.0017    1
    6   -1   -1    2   -0.1044    0.1143   -0.1046    0.1173    0.0030    1
    7    1    0   -2    0.1288   -0.5971    0.1201   -0.5972    0.0087    1
    8    3    1   -5    0.1440   -0.2205    0.1441   -0.2219    0.0014    1
    9   -3   -1    3   -0.1894    0.0483   -0.1940    0.0483    0.0046    1
   10    1    0   -1    0.2250   -0.1291    0.2267   -0.1283    0.0019    1
   11    3   -1   -3    0.5417   -0.6026    0.5314   -0.6143    0.0155    1
   12   -2    0    1   -0.1789   -0.0361   -0.1815   -0.0378    0.0032    1
   13    5   -1   -3    0.1997   -0.0114    0.1981   -0.0091    0.0028    1
   14    3   -1   -2    0.5266   -0.1487    0.5323   -0.1459    0.0063    1
   15   -1    0    0   -0.3404   -0.2358   -0.3358   -0.2354    0.0046    1
   16    3   -1   -1    0.1293    0.0344    0.1256    0.0356    0.0039    1
   17    2   -1   -1    0.7235   -0.0783    0.7260   -0.0804    0.0033    1
   18    5   -3   -3    1.0566   -0.4881    1.0655   -0.4953    0.0114    1
   19    2   -1    0    0.0461    0.0296    0.0407    0.0272    0.0059    1
   20    5   -3   -1    0.4447    0.1632    0.4436    0.1639    0.0013    1
   21   -1    1   -1   -0.0338   -0.0574   -0.0357   -0.0605    0.0036    1
   22    3   -3    1    0.2973    0.3338    0.2970    0.3320    0.0018    1
   23    1   -3    3    0.0319    0.2696    0.0342    0.2676    0.0030    1

###            No.158                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3267    1.3253    1.3175  117.4834  117.2183  116.6972      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3361    1.3361    1.3361  117.3033  117.3033  117.3033      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0062    0.0062    0.0107    0.3275    0.3275    0.6838      0.0000         0.0127    0.0127
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2123   -1.0343    1.1335)
 a2 = (   -0.9254   -1.0896    0.6106)
 a3 = (   -0.1797   -1.5117    0.3874)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2545   -1.0536    1.1584) (    0.0107    0.0055    0.0058)
 a2 = (   -0.9549   -1.0970    0.6334) (    0.0074    0.0060    0.0063)
 a3 = (   -0.2168   -1.5158    0.4147) (    0.0093    0.0074    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  119.5137  122.9573   32.5605    0.4621    0.2621    0.3647
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0023    0.0005      0.0022    0.0021    0.0108

# Number of computed bands
            271            278
# Figure of merit at the beginning and the end of the refinement
        10.7771         7.6050
# Chi-squares at the beginning and the end of the refinement
    0.7402    0.2637
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    0   -2   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    0   -1    2   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4    3   -1   -3   -0.1912   -0.5826   -0.1976   -0.5890    0.0090    1
    5    1    1   -3    0.0564   -0.2273    0.0566   -0.2258    0.0015    1
    6    1   -3    3   -0.1000    0.1136   -0.1046    0.1173    0.0059    1
    7    3    1   -5    0.1169   -0.5931    0.1201   -0.5972    0.0052    1
    8    1    3   -5    0.1436   -0.2237    0.1441   -0.2219    0.0018    1
    9    1   -2    1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1   -2    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    3   -5    1   -0.1840   -0.0402   -0.1815   -0.0378    0.0035    1
   13   -1    5   -3    0.1953   -0.0061    0.1981   -0.0091    0.0042    1
   14    1    5   -5    0.5312   -0.1451    0.5323   -0.1459    0.0013    1
   15    3   -3   -1   -0.3344   -0.2419   -0.3358   -0.2354    0.0066    1
   16   -1    3   -1    0.1195    0.0362    0.1256    0.0356    0.0062    1
   17    1    3   -3    0.7297   -0.0691    0.7260   -0.0804    0.0118    1
   18    3    3   -5    1.0718   -0.5059    1.0655   -0.4953    0.0123    1
   19   -1    2    0    0.0360    0.0252    0.0407    0.0272    0.0052    1
   20    0    2   -1    0.4303    0.1719    0.4436    0.1639    0.0155    1
   21    1   -1   -1   -0.0372   -0.0652   -0.0357   -0.0605    0.0049    1
   22    0    1    0    0.2765    0.3256    0.2970    0.3320    0.0214    1
   23    0    0    1    0.0300    0.2527    0.0342    0.2676    0.0155    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7457   -0.0486   -0.7289   -0.0565    0.0185    1
    2    1    0   -2   -0.0144   -0.1671   -0.0133   -0.1793    0.0122    1
    3    0   -1    2   -0.0250    0.0921   -0.0241    0.0824    0.0097    1
    4    3   -1   -3   -0.1949   -0.5789   -0.1976   -0.5890    0.0104    1
    5    1    1   -3    0.0510   -0.2189    0.0566   -0.2258    0.0088    1
    6    1   -3    3   -0.1067    0.1240   -0.1046    0.1173    0.0071    1
    7    3    1   -5    0.1134   -0.5931    0.1201   -0.5972    0.0078    1
    8    1    3   -5    0.1377   -0.2204    0.1441   -0.2219    0.0066    1
    9    1   -2    1   -0.1987    0.0497   -0.1940    0.0483    0.0049    1
   10    0    1   -1    0.2245   -0.1294    0.2267   -0.1283    0.0024    1
   11    1    1   -2    0.5420   -0.6172    0.5314   -0.6143    0.0110    1
   12    3   -5    1   -0.1816   -0.0411   -0.1815   -0.0378    0.0033    1
   13   -1    5   -3    0.1978   -0.0082    0.1981   -0.0091    0.0010    1
   14    1    5   -5    0.5339   -0.1429    0.5323   -0.1459    0.0034    1
   15    3   -3   -1   -0.3320   -0.2384   -0.3358   -0.2354    0.0048    1
   16   -1    3   -1    0.1258    0.0355    0.1256    0.0356    0.0002    1
   17    1    3   -3    0.7302   -0.0622    0.7260   -0.0804    0.0186    1
   18    3    3   -5    1.0848   -0.4826    1.0655   -0.4953    0.0231    1
   19   -1    2    0    0.0449    0.0283    0.0407    0.0272    0.0043    1
   20    0    2   -1    0.4340    0.1714    0.4436    0.1639    0.0122    1
   21    1   -1   -1   -0.0304   -0.0548   -0.0357   -0.0605    0.0078    1
   22    0    1    0    0.2863    0.3260    0.2970    0.3320    0.0122    1
   23    0    0    1    0.0388    0.2657    0.0342    0.2676    0.0050    1

###            No.159                ###
# Bravais type
        Trigonal
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3355    1.3179    1.3273  117.2040  118.2531  116.0872      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3411    1.3411    1.3411  117.3658  117.3658  117.3658      0.0000         1.0000    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0069    0.0069    0.0119    0.3626    0.3626    0.7555      0.0000         0.0140    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9049    1.1058   -0.6153)
 a2 = (    0.1898    1.0504   -1.1396)
 a3 = (    0.1687    1.5226   -0.3900)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9555    1.1141   -0.6303) (    0.0080    0.0067    0.0070)
 a2 = (    0.2588    1.0732   -1.1545) (    0.0122    0.0060    0.0063)
 a3 = (    0.2192    1.5280   -0.4106) (    0.0100    0.0077    0.0082)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -151.8142   56.6594 -147.0302    0.3294    0.2864    0.3938
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0029    0.0062      0.0022    0.0021    0.0123

# Number of computed bands
            400            266
# Figure of merit at the beginning and the end of the refinement
         3.2990         6.2771
# Chi-squares at the beginning and the end of the refinement
    0.8068    0.2601
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -1    2   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1    0   -2   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4    1   -3    3   -0.1944   -0.5828   -0.1976   -0.5890    0.0070    1
    5   -1   -1    3    0.0559   -0.2289    0.0566   -0.2258    0.0032    1
    6    3   -1   -3   -0.0999    0.1139   -0.1046    0.1173    0.0058    1
    7   -1   -3    5    0.1128   -0.5998    0.1201   -0.5972    0.0078    1
    8   -3   -1    5    0.1444   -0.2274    0.1441   -0.2219    0.0054    1
    9    2   -1   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    0    1    0.2317   -0.1312    0.2267   -0.1283    0.0058    1
   11   -1   -1    2    0.5413   -0.6354    0.5314   -0.6143    0.0234    1
   12    5   -3   -1   -0.1841   -0.0416   -0.1815   -0.0378    0.0046    1
   13   -5    1    3    0.2002   -0.0047    0.1981   -0.0091    0.0049    1
   14   -5   -1    5    0.5464   -0.1459    0.5323   -0.1459    0.0141    1
   15    3   -3    1   -0.3336   -0.2435   -0.3358   -0.2354    0.0084    1
   16   -3    1    1    0.1220    0.0386    0.1256    0.0356    0.0046    1
   17   -3   -1    3    0.7517   -0.0627    0.7260   -0.0804    0.0312    0
   18   -4   -3    6    0.8975   -0.4411    1.0655   -0.4953    0.1765    0
   19   -2    1    0    0.0371    0.0266    0.0407    0.0272    0.0037    1
   20   -2    0    1    0.4354    0.1828    0.4436    0.1639    0.0206    1
   21    1   -1    1   -0.0363   -0.0648   -0.0357   -0.0605    0.0043    1
   22   -1    0    0    0.2727    0.3332    0.2970    0.3320    0.0243    0
   23    0    0   -1    0.0280    0.2530    0.0342    0.2676    0.0159    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7446   -0.0466   -0.7289   -0.0565    0.0185    1
    2    0   -1    2   -0.0145   -0.1686   -0.0133   -0.1793    0.0108    1
    3    1    0   -2   -0.0238    0.0883   -0.0241    0.0824    0.0059    1
    4    1   -3    3   -0.1940   -0.5792   -0.1976   -0.5890    0.0104    1
    5   -1   -1    3    0.0510   -0.2204    0.0566   -0.2258    0.0077    1
    6    3   -1   -3   -0.1043    0.1215   -0.1046    0.1173    0.0042    1
    7   -1   -3    5    0.1143   -0.5943    0.1201   -0.5972    0.0065    1
    8   -3   -1    5    0.1384   -0.2220    0.1441   -0.2219    0.0057    1
    9    2   -1   -1   -0.1972    0.0486   -0.1940    0.0483    0.0032    1
   10   -1    0    1    0.2258   -0.1296    0.2267   -0.1283    0.0015    1
   11   -1   -1    2    0.5481   -0.6160    0.5314   -0.6143    0.0168    1
   12    5   -3   -1   -0.1807   -0.0423   -0.1815   -0.0378    0.0046    1
   13   -5    1    3    0.1974   -0.0073    0.1981   -0.0091    0.0020    1
   14   -5   -1    5    0.5346   -0.1379    0.5323   -0.1459    0.0083    1
   15    3   -3    1   -0.3304   -0.2394   -0.3358   -0.2354    0.0067    1
   16   -3    1    1    0.1242    0.0355    0.1256    0.0356    0.0014    1
   17   -3   -1    3    0.7274   -0.0526    0.7260   -0.0804    0.0278    1
   18   -3   -3    5    1.0928   -0.4653    1.0655   -0.4953    0.0405    1
   19   -2    1    0    0.0434    0.0271    0.0407    0.0272    0.0027    1
   20   -2    0    1    0.4268    0.1735    0.4436    0.1639    0.0194    1
   21    1   -1    1   -0.0308   -0.0565   -0.0357   -0.0605    0.0063    1
   22   -1    0    0    0.2783    0.3211    0.2970    0.3320    0.0216    1
   23    0    0   -1    0.0380    0.2588    0.0342    0.2676    0.0097    1

###                                ###
### Candidates for   Tetragonal(I) ###
###                                ###

###            No.1                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2425    1.2796    1.2588   89.1492   90.2109   91.9265      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2595    1.2595    1.2607   90.0000   90.0000   90.0000      0.0000         0.9991    0.9991
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0174    0.0000    0.0000    0.0000      0.0000         0.0138    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1724   -0.1404    0.7740)
 a2 = (    0.7461    0.2116   -0.1005)
 a3 = (   -0.1996    0.7470    0.1826)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1456   -0.1481    0.7663) (    0.0037    0.0037    0.0010)
 a2 = (    0.7574    0.2152   -0.1023) (    0.0014    0.0044    0.0034)
 a3 = (   -0.1884    0.7491    0.1805) (    0.0053    0.0104    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.6024   76.8433 -165.8798    0.2576    0.2617    0.3306
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0035      0.0021    0.0021    0.0120

# Number of computed bands
            400             73
# Figure of merit at the beginning and the end of the refinement
         3.3278        55.8146
# Chi-squares at the beginning and the end of the refinement
    1.7831    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    1    3   -0.0109   -0.1817   -0.0133   -0.1793    0.0034    1
    3    1    0   -3   -0.0278    0.0860   -0.0241    0.0824    0.0051    1
    4    1    1    2   -0.1984   -0.5978   -0.1976   -0.5890    0.0089    1
    5    0    0    2    0.0610   -0.2282    0.0566   -0.2258    0.0050    1
    6    1    1   -2   -0.1080    0.1166   -0.1046    0.1173    0.0035    1
    7    1    0    3    0.1226   -0.6044    0.1201   -0.5972    0.0077    1
    8    0   -1    3    0.1471   -0.2220    0.1441   -0.2219    0.0030    1
    9    1    2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    3    0   -0.1881   -0.0386   -0.1815   -0.0378    0.0066    1
   13    0   -3    1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    1   -3    2    0.5386   -0.1570    0.5323   -0.1459    0.0128    1
   15    1    2    1   -0.3452   -0.2427   -0.3358   -0.2354    0.0119    1
   16    0   -2    0    0.1246    0.0354    0.1256    0.0356    0.0010    1
   17    1   -2    1    0.7509   -0.0906    0.7260   -0.0804    0.0269    1
   18    3   -4    3    0.9695   -0.3077    1.0655   -0.4953    0.2107    0
   19    0   -3   -1    0.0399    0.0271    0.0407    0.0272    0.0008    1
   20    1   -3    0    0.4563    0.1712    0.4436    0.1639    0.0147    1
   21    0    1    1   -0.0369   -0.0647   -0.0357   -0.0605    0.0043    1
   22    1   -2   -1    0.2986    0.3493    0.2970    0.3320    0.0174    1
   23    1   -1   -2    0.0259    0.2734    0.0342    0.2676    0.0101    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2    0    1    3   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    1    0   -3   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    1    1    2   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0    0    2    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    1    1   -2   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7    1    0    3    0.1198   -0.5975    0.1201   -0.5972    0.0004    1
    8    0   -1    3    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1    2   -1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10    0   -1    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11    1   -1    2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    1    3    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    0   -3    1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    1   -3    2    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15    1    2    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    1   -2    1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18    2   -2    2    1.0605   -0.5115    1.0655   -0.4953    0.0170    1
   19    0   -3   -1    0.0422    0.0275    0.0407    0.0272    0.0014    1
   20    1   -3    0    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    0    1    1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -2   -1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23    1   -1   -2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.2                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2466    1.2890    1.2453   89.8308   89.9952   91.7869      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2595    1.2595    1.2607   90.0000   90.0000   90.0000      0.0000         0.9991    0.9991
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0174    0.0000    0.0000    0.0000      0.0000         0.0138    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7656    0.2172   -0.1039)
 a2 = (   -0.1189    0.1486   -0.7525)
 a3 = (   -0.1905    0.7585    0.1823)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7574    0.2152   -0.1023) (    0.0014    0.0044    0.0034)
 a2 = (   -0.1456    0.1481   -0.7663) (    0.0037    0.0037    0.0010)
 a3 = (   -0.1884    0.7491    0.1805) (    0.0053    0.0104    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.3976   76.8433 -165.8798    0.2576    0.2617    0.3306
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0035      0.0021    0.0021    0.0120

# Number of computed bands
            400             73
# Figure of merit at the beginning and the end of the refinement
         5.4164        55.8146
# Chi-squares at the beginning and the end of the refinement
    0.0767    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    0    3   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    0   -1   -3   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    1   -1    2   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    0    0    2    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1   -1   -2   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7    0   -1    3    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -1    0    3    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    2   -1   -1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1    2    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    3   -1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -3    0    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3   -1    2    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    2   -1    1   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -1    1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -2   -2    2    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19   -3    0   -1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -3   -1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    0    1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -2   -1   -1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -1   -1   -2    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2    1    0    3   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    0   -1   -3   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    1   -1    2   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0    0    2    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    1   -1   -2   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7    0   -1    3    0.1198   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1    0    3    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    2   -1   -1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10   -1    0    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1   -1    2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    3   -1    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -3    0    1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -3   -1    2    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15    2   -1    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16   -2    0    0    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -2   -1    1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18   -2   -2    2    1.0605   -0.5115    1.0655   -0.4953    0.0170    1
   19   -3    0   -1    0.0422    0.0275    0.0407    0.0272    0.0014    1
   20   -3   -1    0    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    1    0    1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -2   -1   -1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23   -1   -1   -2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.5                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2591    1.2603    1.2604   89.9627   90.1273   89.6072      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2585    1.2585    1.2628   90.0000   90.0000   90.0000      0.0000         0.9966    0.9966
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0165    0.0000    0.0000    0.0000      0.0000         0.0130    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7576    0.2149   -0.1028)
 a2 = (    0.1407   -0.1495    0.7665)
 a3 = (    0.1896   -0.7488   -0.1814)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7579    0.2158   -0.1021) (    0.0014    0.0044    0.0034)
 a2 = (    0.1456   -0.1485    0.7669) (    0.0036    0.0036    0.0009)
 a3 = (    0.1885   -0.7476   -0.1806) (    0.0052    0.0098    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5846  103.1807   14.1522    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
             95             73
# Figure of merit at the beginning and the end of the refinement
        42.4242        54.2264
# Chi-squares at the beginning and the end of the refinement
    0.0304    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2    1    0   -3   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    1    3   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1   -2   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5    0    0   -2    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    1    2   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    0    1   -3    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8   -1    0   -3    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2    1    1   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10   -1    0   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    1   -2    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12    3    1    0   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -3    0   -1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3    1   -2    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15    2    1   -1   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1   -1    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18   -2    2   -2    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19   -3    0    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    1    0    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21    1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1    1    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23   -1    1    2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2    1    0   -3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    1    3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1    1   -2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0   -2    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    1    1    2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7    0    1   -3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1    0   -3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9    2    1    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10   -1    0   -1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11   -1    1   -2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12    3    1    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13   -3    0   -1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14   -3    1   -2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    2    1   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16   -2    0    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17   -2    1   -1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18   -2    2   -2    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19   -3    0    1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20   -3    1    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21    1    0   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -2    1    1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23   -1    1    2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.6                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2581    1.2641    1.2576   90.1176   89.9331   90.1132      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2585    1.2585    1.2628   90.0000   90.0000   90.0000      0.0000         0.9966    0.9966
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0165    0.0000    0.0000    0.0000      0.0000         0.0130    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7581   -0.2156    0.1030)
 a2 = (    0.1436   -0.1457    0.7642)
 a3 = (   -0.1882    0.7513    0.1803)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7579   -0.2158    0.1021) (    0.0014    0.0044    0.0034)
 a2 = (    0.1456   -0.1485    0.7669) (    0.0036    0.0036    0.0009)
 a3 = (   -0.1885    0.7476    0.1806) (    0.0052    0.0098    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    7.5846   76.8193 -165.8478    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
             85             73
# Figure of merit at the beginning and the end of the refinement
        48.7903        54.2264
# Chi-squares at the beginning and the end of the refinement
    0.0429    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    0    3   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    0    1   -3   -0.0253    0.0856   -0.0241    0.0824    0.0034    1
    4   -1    1    2   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    0    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1   -2   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    0    1    3    0.1189   -0.5953    0.1201   -0.5972    0.0022    1
    8    1    0    3    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -2    1   -1   -0.1923    0.0485   -0.1940    0.0483    0.0018    1
   10    1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    2    0.5325   -0.6134    0.5314   -0.6143    0.0014    1
   12   -3    1    0   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13    3    0    1    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    3    1    2    0.5294   -0.1500    0.5323   -0.1459    0.0050    1
   15   -2    1    1   -0.3354   -0.2363   -0.3358   -0.2354    0.0010    1
   16    2    0    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    2    1    1    0.7280   -0.0814    0.7260   -0.0804    0.0023    1
   18    2    2    2    1.0557   -0.5130    1.0655   -0.4953    0.0203    1
   19    3    0   -1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    3    1    0    0.4425    0.1646    0.4436    0.1639    0.0013    1
   21   -1    0    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    2    1   -1    0.2954    0.3313    0.2970    0.3320    0.0017    1
   23    1    1   -2    0.0342    0.2675    0.0342    0.2676    0.0002    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2   -1    0    3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    1   -3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    1    2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0    2    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1    1   -2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7    0    1    3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8    1    0    3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9   -2    1   -1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1    0    1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11    1    1    2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12   -3    1    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13    3    0    1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14    3    1    2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -2    1    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17    2    1    1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18    2    2    2    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19    3    0   -1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20    3    1    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21   -1    0    1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    2    1   -1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23    1    1   -2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.11                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2597    1.2614    1.2587   90.1990   89.9932   90.1919      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2585    1.2585    1.2628   90.0000   90.0000   90.0000      0.0000         0.9966    0.9966
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0165    0.0000    0.0000    0.0000      0.0000         0.0130    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7574   -0.2148    0.1022)
 a2 = (   -0.1471    0.1447   -0.7655)
 a3 = (    0.1885   -0.7503   -0.1809)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7579   -0.2158    0.1021) (    0.0014    0.0044    0.0034)
 a2 = (   -0.1456    0.1485   -0.7669) (    0.0036    0.0036    0.0009)
 a3 = (    0.1885   -0.7476   -0.1806) (    0.0052    0.0098    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.4154  103.1807   14.1522    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
             75             73
# Figure of merit at the beginning and the end of the refinement
        50.5584        54.2264
# Chi-squares at the beginning and the end of the refinement
    0.0449    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    0   -3   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -1    3   -0.0254    0.0854   -0.0241    0.0824    0.0033    1
    4   -1   -1   -2   -0.1970   -0.5865   -0.1976   -0.5890    0.0026    1
    5    0    0   -2    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6   -1   -1    2   -0.1047    0.1169   -0.1046    0.1173    0.0004    1
    7    0   -1   -3    0.1187   -0.5976    0.1201   -0.5972    0.0015    1
    8    1    0   -3    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9   -2   -1    1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1   -2    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12   -3   -1    0   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13    3    0   -1    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14    3   -1   -2    0.5303   -0.1508    0.5323   -0.1459    0.0053    1
   15   -2   -1   -1   -0.3371   -0.2369   -0.3358   -0.2354    0.0020    1
   16    2    0    0    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17    2   -1   -1    0.7302   -0.0826    0.7260   -0.0804    0.0048    1
   18    2   -2   -2    1.0593   -0.5183    1.0655   -0.4953    0.0238    1
   19    3    0    1    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20    3   -1    0    0.4434    0.1647    0.4436    0.1639    0.0008    1
   21   -1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1    1    0.2958    0.3323    0.2970    0.3320    0.0012    1
   23    1   -1    2    0.0336    0.2677    0.0342    0.2676    0.0006    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2   -1    0   -3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -1    3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1   -1   -2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0   -2    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1   -1    2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7    0   -1   -3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8    1    0   -3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9   -2   -1    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1    0   -1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11    1   -1   -2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12   -3   -1    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13    3    0   -1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14    3   -1   -2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -2   -1   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17    2   -1   -1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18    2   -2   -2    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19    3    0    1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20    3   -1    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21   -1    0   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    2   -1    1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23    1   -1    2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.14                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2580    1.2604    1.2616   90.0061   91.0097   89.4282      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2585    1.2585    1.2628   90.0000   90.0000   90.0000      0.0000         0.9966    0.9966
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0165    0.0000    0.0000    0.0000      0.0000         0.0130    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1422    0.1624   -0.7652)
 a2 = (   -0.7569   -0.2144    0.1034)
 a3 = (   -0.1876    0.7491    0.1793)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1456    0.1485   -0.7669) (    0.0036    0.0036    0.0009)
 a2 = (   -0.7579   -0.2158    0.1021) (    0.0014    0.0044    0.0034)
 a3 = (   -0.1885    0.7476    0.1806) (    0.0052    0.0098    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -82.4154   76.8193 -165.8478    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
             75             73
# Figure of merit at the beginning and the end of the refinement
        33.6423        54.2264
# Chi-squares at the beginning and the end of the refinement
    0.4993    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2    0   -1    3   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3   -1    0   -3   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1   -1    2   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    0    0    2    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6   -1   -1   -2   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7   -1    0    3    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8    0    1    3    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1   -2   -1   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    0    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    2    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12   -1   -3    0   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13    0    3    1    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -1    3    2    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15   -1   -2    1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    0    2    0    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17   -1    2    1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18   -2    2    2    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    0    3   -1    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20   -1    3    0    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0   -1    1   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22   -1    2   -1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1    1   -2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2    0   -1    3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -1    0   -3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1   -1    2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0    2    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1   -1   -2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7   -1    0    3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8    0    1    3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9   -1   -2   -1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    0    1    1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11   -1    1    2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12   -1   -3    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13    0    3    1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14   -1    3    2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -1   -2    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    2    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17   -1    2    1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18   -2    2    2    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19    0    3   -1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20   -1    3    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21    0   -1    1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1    2   -1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23   -1    1   -2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.20                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2484    1.2652    1.2665   89.9901   91.0776   90.1990      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2606    1.2606    1.2586   90.0000   90.0000   90.0000      0.0000         1.0016    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0185    0.0000    0.0000    0.0000      0.0000         0.0147    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1605    0.1429   -0.7719)
 a2 = (    0.1875   -0.7464   -0.1800)
 a3 = (   -0.7534   -0.2137    0.1017)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1453    0.1479   -0.7657) (    0.0038    0.0037    0.0010)
 a2 = (    0.1884   -0.7491   -0.1804) (    0.0043    0.0013    0.0036)
 a3 = (   -0.7580   -0.2153    0.1023) (    0.0115    0.0051    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2587   82.6050  -74.1441    0.2728    0.2530    0.3406
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0022      0.0021    0.0020    0.0139

# Number of computed bands
            400             81
# Figure of merit at the beginning and the end of the refinement
         7.9763        53.5830
# Chi-squares at the beginning and the end of the refinement
    0.5908    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3   -1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1    3    0   -0.0271    0.0891   -0.0241    0.0824    0.0073    1
    4   -1   -2   -1   -0.2029   -0.5889   -0.1976   -0.5890    0.0053    1
    5    0   -2    0    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6   -1    2   -1   -0.1085    0.1197   -0.1046    0.1173    0.0046    1
    7   -1   -3    0    0.1158   -0.6036    0.1201   -0.5972    0.0077    1
    8    0   -3    1    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9   -1    1   -2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1    0   -3   -0.1850   -0.0381   -0.1815   -0.0378    0.0035    1
   13    0   -1    3    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -1   -2    3    0.5366   -0.1537    0.5323   -0.1459    0.0088    1
   15   -1   -1   -2   -0.3405   -0.2372   -0.3358   -0.2354    0.0051    1
   16    0    0    2    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -1   -1    2    0.7433   -0.0854    0.7260   -0.0804    0.0180    1
   18   -2   -2    2    1.0803   -0.5396    1.0655   -0.4953    0.0468    0
   19    0    1    3    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -1    0    3    0.4501    0.1681    0.4436    0.1639    0.0078    1
   21    0   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1    2    0.2995    0.3403    0.2970    0.3320    0.0087    1
   23   -1    2    1    0.0323    0.2739    0.0342    0.2676    0.0065    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7284   -0.0548   -0.7289   -0.0565    0.0018    1
    2    0   -3   -1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -1    3    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4   -1   -2   -1   -0.1967   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0   -2    0    0.0573   -0.2264    0.0566   -0.2258    0.0010    1
    6   -1    2   -1   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -1   -3    0    0.1199   -0.5977    0.1201   -0.5972    0.0005    1
    8    0   -3    1    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9   -1    1   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    0   -1    1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1   -2    1    0.5354   -0.6142    0.5314   -0.6143    0.0040    1
   12   -1    0   -3   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13    0   -1    3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -1   -2    3    0.5294   -0.1492    0.5323   -0.1459    0.0043    1
   15   -1   -1   -2   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16    0    0    2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1   -1    2    0.7281   -0.0801    0.7260   -0.0804    0.0021    1
   18   -2   -2    2    1.0602   -0.5111    1.0655   -0.4953    0.0167    1
   19    0    1    3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20   -1    0    3    0.4418    0.1641    0.4436    0.1639    0.0018    1
   21    0   -1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1    1    2    0.2953    0.3306    0.2970    0.3320    0.0022    1
   23   -1    2    1    0.0343    0.2671    0.0342    0.2676    0.0006    1

###            No.21                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2500    1.2561    1.2744   90.9756   91.1881   89.0097      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2606    1.2606    1.2586   90.0000   90.0000   90.0000      0.0000         1.0016    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0185    0.0000    0.0000    0.0000      0.0000         0.0147    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1894    0.7561    0.1814)
 a2 = (    0.1625   -0.1568    0.7637)
 a3 = (    0.7449    0.2271   -0.0983)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1884    0.7491    0.1804) (    0.0043    0.0013    0.0036)
 a2 = (    0.1453   -0.1479    0.7657) (    0.0038    0.0037    0.0010)
 a3 = (    0.7580    0.2153   -0.1023) (    0.0115    0.0051    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2587   97.3950  105.8559    0.2728    0.2530    0.3406
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0022      0.0021    0.0020    0.0139

# Number of computed bands
            400             81
# Figure of merit at the beginning and the end of the refinement
         3.3930        53.5830
# Chi-squares at the beginning and the end of the refinement
    0.5957    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    0    1   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3   -3    1    0   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4    2    1    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    1    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3    1    0    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    3    0   -1    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1    1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    1    3   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    1    0   -3    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    2    1   -3    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    1    1    2   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    0    0   -2    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    1    1   -2    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    3    3   -4    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19   -1    0   -3    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    0    1   -3    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    1    0    1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22   -1    1   -2    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23   -2    1   -1    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7284   -0.0548   -0.7289   -0.0565    0.0018    1
    2    3    0    1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -3    1    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    2    1    1   -0.1967   -0.5869   -0.1976   -0.5890    0.0023    1
    5    2    0    0    0.0573   -0.2264    0.0566   -0.2258    0.0010    1
    6   -2    1    1   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7    3    1    0    0.1199   -0.5977    0.1201   -0.5972    0.0005    1
    8    3    0   -1    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9   -1    1    2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1    0   -1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11    2    1   -1    0.5354   -0.6142    0.5314   -0.6143    0.0040    1
   12    0    1    3   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    0   -3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    2    1   -3    0.5294   -0.1492    0.5323   -0.1459    0.0043    1
   15    1    1    2   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16    0    0   -2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    1    1   -2    0.7281   -0.0801    0.7260   -0.0804    0.0021    1
   18    2    2   -2    1.0602   -0.5111    1.0655   -0.4953    0.0167    1
   19   -1    0   -3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0    1   -3    0.4418    0.1641    0.4436    0.1639    0.0018    1
   21    1    0    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1    1   -2    0.2953    0.3306    0.2970    0.3320    0.0022    1
   23   -2    1   -1    0.0343    0.2671    0.0342    0.2676    0.0006    1

###            No.26                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2453    1.2890    1.2466   91.7869   89.9952   89.8308      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2606    1.2606    1.2586   90.0000   90.0000   90.0000      0.0000         1.0016    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0185    0.0000    0.0000    0.0000      0.0000         0.0147    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1905   -0.7585   -0.1823)
 a2 = (    0.1189   -0.1486    0.7525)
 a3 = (   -0.7656   -0.2172    0.1039)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1884   -0.7491   -0.1804) (    0.0043    0.0013    0.0036)
 a2 = (    0.1453   -0.1479    0.7657) (    0.0038    0.0037    0.0010)
 a3 = (   -0.7580   -0.2153    0.1023) (    0.0115    0.0051    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.2587   82.6050  -74.1441    0.2728    0.2530    0.3406
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0022      0.0021    0.0020    0.0139

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         5.4164        52.9335
# Chi-squares at the beginning and the end of the refinement
    1.4597    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    0   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    3    1    0   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4   -2    1   -1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5   -2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2    1   -1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -3    1    0    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -3    0    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1    1   -2   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1    1    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    0    1   -3   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1    0    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    1    3    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15   -1    1   -2   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1    2    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -2    2    2    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19    1    0    3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0    1    3    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1    0   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1    1    2    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23    2    1    1    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7284   -0.0548   -0.7289   -0.0565    0.0018    1
    2   -3    0   -1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3    3    1    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4   -2    1   -1   -0.1967   -0.5869   -0.1976   -0.5890    0.0023    1
    5   -2    0    0    0.0573   -0.2264    0.0566   -0.2258    0.0010    1
    6    2    1   -1   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -3    1    0    0.1199   -0.5977    0.1201   -0.5972    0.0005    1
    8   -3    0    1    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9    1    1   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    0    1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2    1    1    0.5354   -0.6142    0.5314   -0.6143    0.0040    1
   12    0    1   -3   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -1    0    3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -2    1    3    0.5294   -0.1492    0.5323   -0.1459    0.0043    1
   15   -1    1   -2   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16    0    0    2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1    1    2    0.7281   -0.0801    0.7260   -0.0804    0.0021    1
   18   -2    2    2    1.0602   -0.5111    1.0655   -0.4953    0.0167    1
   19    1    0    3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0    1    3    0.4418    0.1641    0.4436    0.1639    0.0018    1
   21   -1    0   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1    1    2    0.2953    0.3306    0.2970    0.3320    0.0022    1
   23    2    1    1    0.0343    0.2671    0.0342    0.2676    0.0006    1

###            No.28                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2571    1.2617    1.2611   89.9409   89.2222   90.5530      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2585    1.2585    1.2628   90.0000   90.0000   90.0000      0.0000         0.9966    0.9966
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0165    0.0000    0.0000    0.0000      0.0000         0.0130    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1415    0.1599   -0.7664)
 a2 = (    0.7560    0.2150   -0.1027)
 a3 = (    0.1877   -0.7492   -0.1798)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1456    0.1485   -0.7669) (    0.0036    0.0036    0.0009)
 a2 = (    0.7579    0.2158   -0.1021) (    0.0014    0.0044    0.0034)
 a3 = (    0.1885   -0.7476   -0.1806) (    0.0052    0.0098    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -97.5846  103.1807   14.1522    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
             77             77
# Figure of merit at the beginning and the end of the refinement
        34.7489        52.7991
# Chi-squares at the beginning and the end of the refinement
    0.3629    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    0    1   -3   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -1    0    3   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1    1   -2   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    0    0   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1    2   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7   -1    0   -3    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    0   -1   -3    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1    2    1   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    0   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1   -2    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12   -1    3    0   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    0   -3   -1    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14   -1   -3   -2    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15   -1    2   -1   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    0   -2    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17   -1   -2   -1    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18   -2   -2   -2    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19    0   -3    1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20   -1   -3    0    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    1   -1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1   -2    1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1   -1    2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2    0    1   -3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -1    0    3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    1   -2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0   -2    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1    1    2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7   -1    0   -3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8    0   -1   -3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9   -1    2    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    0   -1   -1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11   -1   -1   -2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12   -1    3    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13    0   -3   -1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14   -1   -3   -2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -1    2   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0   -2    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17   -1   -2   -1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18   -2   -2   -2    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19    0   -3    1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20   -1   -3    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21    0    1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1   -2    1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23   -1   -1    2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.29                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2453    1.2466    1.2890   91.7869   89.8308   89.9952      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2581    1.2581    1.2636   90.0000   90.0000   90.0000      0.0000         0.9957    0.9957
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0514    0.0000    0.0000    0.0000      0.0000         0.0405    0.0405
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1905    0.7585    0.1823)
 a2 = (    0.7656    0.2172   -0.1039)
 a3 = (   -0.1189    0.1486   -0.7525)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1889    0.7507    0.1805) (    0.0043    0.0016    0.0054)
 a2 = (    0.7583    0.2153   -0.1021) (    0.0016    0.0046    0.0044)
 a3 = (   -0.1447    0.1473   -0.7640) (    0.0104    0.0098    0.0298)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  119.4958  164.8802 -135.5097    0.9571    0.4508    1.0577
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0009      0.0022    0.0022    0.0400

# Number of computed bands
            400             84
# Figure of merit at the beginning and the end of the refinement
         5.4164        52.5995
# Chi-squares at the beginning and the end of the refinement
    0.2148    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1    0   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -3    0   -1   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    2    1   -1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -2    1   -1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7    3    0   -1    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8    3   -1    0    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    2   -1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1   -1    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    0    3   -1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -3    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -3   -1    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    1    2   -1   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -2   -1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18    2   -2   -2    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19   -1   -3    0    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -3   -1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -2   -1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -2   -1   -1    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7293   -0.0553   -0.7289   -0.0565    0.0013    1
    2    3    1    0   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    0   -1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    2    1   -1   -0.1960   -0.5869   -0.1976   -0.5890    0.0026    1
    5    2    0    0    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6   -2    1   -1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    3    0   -1    0.1200   -0.5971    0.1201   -0.5972    0.0001    1
    8    3   -1    0    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1    2   -1   -0.1926    0.0485   -0.1940    0.0483    0.0015    1
   10    1   -1    0    0.2266   -0.1282    0.2267   -0.1283    0.0002    1
   11    2   -1   -1    0.5344   -0.6138    0.5314   -0.6143    0.0030    1
   12    0    3   -1   -0.1813   -0.0377   -0.1815   -0.0378    0.0003    1
   13    1   -3    0    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    2   -3   -1    0.5294   -0.1497    0.5323   -0.1459    0.0047    1
   15    1    2   -1   -0.3367   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0   -2    0    0.1251    0.0351    0.1256    0.0356    0.0007    1
   17    1   -2   -1    0.7281   -0.0809    0.7260   -0.0804    0.0021    1
   18    2   -2   -2    1.0583   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1   -3    0    0.0420    0.0276    0.0407    0.0272    0.0014    1
   20    0   -3   -1    0.4420    0.1642    0.4436    0.1639    0.0016    1
   21    1    1    0   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22   -1   -2   -1    0.2951    0.3307    0.2970    0.3320    0.0023    1
   23   -2   -1   -1    0.0342    0.2667    0.0342    0.2676    0.0009    1

###            No.33                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2584    1.2593    1.2620   89.9915   90.1462   90.0925      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2590    1.2590    1.2617   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0471    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1880   -0.7508   -0.1801)
 a2 = (   -0.7575   -0.2154    0.1013)
 a3 = (   -0.1437    0.1456   -0.7656)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1893   -0.7499   -0.1808) (    0.0043    0.0015    0.0050)
 a2 = (   -0.7576   -0.2158    0.1018) (    0.0015    0.0044    0.0041)
 a3 = (   -0.1449    0.1479   -0.7650) (    0.0095    0.0090    0.0274)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.6187  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
             79             81
# Figure of merit at the beginning and the end of the refinement
        45.6011        51.8183
# Chi-squares at the beginning and the end of the refinement
    0.0273    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7326   -0.0568   -0.7289   -0.0565    0.0037    1
    2   -3   -1    0   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3    3    0   -1   -0.0255    0.0864   -0.0241    0.0824    0.0042    1
    4   -2   -1   -1   -0.1960   -0.5865   -0.1976   -0.5890    0.0030    1
    5   -2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1055    0.1182   -0.1046    0.1173    0.0012    1
    7   -3    0   -1    0.1190   -0.5962    0.1201   -0.5972    0.0015    1
    8   -3    1    0    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9    1   -2   -1   -0.1949    0.0491   -0.1940    0.0483    0.0011    1
   10   -1    1    0    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11   -2    1   -1    0.5326   -0.6137    0.5314   -0.6143    0.0014    1
   12    0   -3   -1   -0.1831   -0.0380   -0.1815   -0.0378    0.0016    1
   13   -1    3    0    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14   -2    3   -1    0.5284   -0.1497    0.5323   -0.1459    0.0054    1
   15   -1   -2   -1   -0.3377   -0.2379   -0.3358   -0.2354    0.0031    1
   16    0    2    0    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17   -1    2   -1    0.7273   -0.0813    0.7260   -0.0804    0.0016    1
   18   -2    2   -2    1.0562   -0.5134    1.0655   -0.4953    0.0204    1
   19    1    3    0    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20    0    3   -1    0.4413    0.1642    0.4436    0.1639    0.0022    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -1    0.2950    0.3308    0.2970    0.3320    0.0023    1
   23    2    1   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -3   -1    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    3    0   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -2   -1   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5   -2    0    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    2   -1   -1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -3    0   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -3    1    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1   -2   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -2    1   -1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    0   -3   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -1    3    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -2    3   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -2   -1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1    2   -1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2    2   -2    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    1    3    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    0    3   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    2   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    2    1   -1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.34                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2577    1.2582    1.2640   89.9705   90.4542   89.9336      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2590    1.2590    1.2617   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0471    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1882    0.7512    0.1803)
 a2 = (   -0.7580   -0.2156    0.1030)
 a3 = (    0.1444   -0.1408    0.7650)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1893    0.7499    0.1808) (    0.0043    0.0015    0.0050)
 a2 = (   -0.7576   -0.2158    0.1018) (    0.0015    0.0044    0.0041)
 a3 = (    0.1449   -0.1479    0.7650) (    0.0095    0.0090    0.0274)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.6187   15.1464   44.4197    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
             83             81
# Figure of merit at the beginning and the end of the refinement
        39.6052        51.8183
# Chi-squares at the beginning and the end of the refinement
    0.0305    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7286   -0.0604   -0.7289   -0.0565    0.0039    1
    2    3   -1    0   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -3    0    1   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4    2   -1    1   -0.1946   -0.5834   -0.1976   -0.5890    0.0063    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -1    1   -0.1050    0.1172   -0.1046    0.1173    0.0004    1
    7    3    0    1    0.1182   -0.5945    0.1201   -0.5972    0.0033    1
    8    3    1    0    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -2    1   -0.1929    0.0481   -0.1940    0.0483    0.0011    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1    1    0.5302   -0.6139    0.5314   -0.6143    0.0012    1
   12    0   -3    1   -0.1807   -0.0378   -0.1815   -0.0378    0.0009    1
   13    1    3    0    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    2    3    1    0.5293   -0.1510    0.5323   -0.1459    0.0059    1
   15    1   -2    1   -0.3347   -0.2368   -0.3358   -0.2354    0.0018    1
   16    0    2    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    2    1    0.7284   -0.0838    0.7260   -0.0804    0.0042    1
   18    2    2    2    1.0522   -0.5182    1.0655   -0.4953    0.0266    1
   19   -1    3    0    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    0    3    1    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21    1   -1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1    2    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -2    1    1    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    3   -1    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -3    0    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    2   -1    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    2    0    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -2   -1    1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    3    0    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    3    1    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1   -2    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    2    1    1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    0   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    1    3    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    2    3    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1   -2    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1    2    1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2    2    2    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -1    3    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    0    3    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1    2    1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -2    1    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.36                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2526    1.2537    1.2737   89.7530   90.7842   89.8759      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2590    1.2590    1.2617   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0471    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7617   -0.2160    0.1034)
 a2 = (    0.1906   -0.7528   -0.1824)
 a3 = (    0.1334   -0.1467    0.7597)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7576   -0.2158    0.1018) (    0.0015    0.0044    0.0041)
 a2 = (    0.1893   -0.7499   -0.1808) (    0.0043    0.0015    0.0050)
 a3 = (    0.1449   -0.1479    0.7650) (    0.0095    0.0090    0.0274)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  150.6187   15.1464   44.4197    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
             97             81
# Figure of merit at the beginning and the end of the refinement
        22.9573        51.8183
# Chi-squares at the beginning and the end of the refinement
    0.0610    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    3    1   -0.0239    0.0814   -0.0241    0.0824    0.0010    1
    4   -1   -2    1   -0.1912   -0.5860   -0.1976   -0.5890    0.0071    1
    5    0   -2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    2    1   -0.1008    0.1134   -0.1046    0.1173    0.0054    1
    7    0   -3    1    0.1232   -0.5933    0.1201   -0.5972    0.0049    1
    8    1   -3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2    1    1   -0.1886    0.0477   -0.1940    0.0483    0.0055    1
   10    1   -1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1   -2    1    0.5331   -0.6035    0.5314   -0.6143    0.0109    1
   12   -3    0    1   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13    3   -1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3   -2    1    0.5250   -0.1473    0.5323   -0.1459    0.0074    1
   15   -2   -1    1   -0.3341   -0.2366   -0.3358   -0.2354    0.0021    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -1    1    0.7181   -0.0791    0.7260   -0.0804    0.0080    1
   18    2   -2    2    1.0406   -0.4957    1.0655   -0.4953    0.0249    1
   19    3    1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3    0    1    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    1    1    0.2928    0.3251    0.2970    0.3320    0.0081    1
   23    1    2    1    0.0347    0.2622    0.0342    0.2676    0.0055    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -1   -3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0    3    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1   -2    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1    2    1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0   -3    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    1   -3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -2    1    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    1   -1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1   -2    1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -3    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    3   -1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    3   -2    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2   -1    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    2    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    2   -1    1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2   -2    2    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    3    1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    3    0    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2    1    1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1    2    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.40                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2481    1.2656    1.2664   89.9354   90.9756   89.8824      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.2617    1.2564   90.0000   90.0000   90.0000      0.0000         1.0042    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0176    0.0000    0.0000    0.0000      0.0000         0.0141    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1600   -0.1434    0.7720)
 a2 = (    0.1870   -0.7465   -0.1791)
 a3 = (    0.7533    0.2142   -0.1023)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1449   -0.1478    0.7651) (    0.0037    0.0037    0.0010)
 a2 = (    0.1887   -0.7484   -0.1803) (    0.0043    0.0013    0.0036)
 a3 = (    0.7592    0.2160   -0.1020) (    0.0110    0.0049    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2635   97.3664  105.8809    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         7.7680        51.7845
# Chi-squares at the beginning and the end of the refinement
    0.5521    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3    1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1    3    0   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4    1   -2    1   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5    0   -2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2    1   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7    1   -3    0    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8    0   -3   -1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    0    3   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13    0   -1   -3    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1   -2   -3    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15    1   -1    2   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16    0    0   -2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1   -1   -2    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18    2   -2   -2    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19    0    1   -3    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    0   -3    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21    0   -1    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    1   -2    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23    1    2   -1    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2    0   -3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1    3    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    1   -2    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6    1    2    1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7    1   -3    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0   -3   -1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9    1    1    2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    0   -1   -1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -2   -1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12    1    0    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0   -1   -3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14    1   -2   -3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    1   -1    2   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0   -2    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17    1   -1   -2    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18    2   -2   -2    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19    0    1   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    0   -3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21    0   -1    1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1    1   -2    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23    1    2   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.41                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2577    1.2635    1.2586   89.9082   89.9080   90.3468      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.2617    1.2564   90.0000   90.0000   90.0000      0.0000         1.0042    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0176    0.0000    0.0000    0.0000      0.0000         0.0141    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1882   -0.7512   -0.1802)
 a2 = (   -0.1442    0.1424   -0.7651)
 a3 = (    0.7580    0.2155   -0.1014)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1887   -0.7484   -0.1803) (    0.0043    0.0013    0.0036)
 a2 = (   -0.1449    0.1478   -0.7651) (    0.0037    0.0037    0.0010)
 a3 = (    0.7592    0.2160   -0.1020) (    0.0110    0.0049    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.7365   97.3664  105.8809    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
             81             83
# Figure of merit at the beginning and the end of the refinement
        40.9287        51.7845
# Chi-squares at the beginning and the end of the refinement
    0.0302    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7309   -0.0593   -0.7289   -0.0565    0.0034    1
    2   -3    0    1   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3    3   -1    0   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -2   -1    1   -0.1952   -0.5849   -0.1976   -0.5890    0.0047    1
    5   -2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1    1   -0.1054    0.1179   -0.1046    0.1173    0.0010    1
    7   -3   -1    0    0.1184   -0.5950    0.1201   -0.5972    0.0028    1
    8   -3    0   -1    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9    1   -1    2   -0.1945    0.0487   -0.1940    0.0483    0.0006    1
   10   -1    0   -1    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11   -2   -1   -1    0.5305   -0.6132    0.5314   -0.6143    0.0014    1
   12    0   -1    3   -0.1827   -0.0381   -0.1815   -0.0378    0.0012    1
   13   -1    0   -3    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14   -2   -1   -3    0.5278   -0.1502    0.5323   -0.1459    0.0062    1
   15   -1   -1    2   -0.3365   -0.2377   -0.3358   -0.2354    0.0024    1
   16    0    0   -2    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17   -1   -1   -2    0.7266   -0.0828    0.7260   -0.0804    0.0025    1
   18   -2   -2   -2    1.0523   -0.5160    1.0655   -0.4953    0.0246    1
   19    1    0   -3    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20    0   -1   -3    0.4415    0.1636    0.4436    0.1639    0.0021    1
   21   -1    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -1   -2    0.2954    0.3306    0.2970    0.3320    0.0021    1
   23    2   -1   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2   -3    0    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    3   -1    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4   -2   -1    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6    2   -1    1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7   -3   -1    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -3    0   -1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9    1   -1    2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1    0   -1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11   -2   -1   -1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12    0   -1    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -1    0   -3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14   -2   -1   -3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -1   -1    2   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0   -2    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17   -1   -1   -2    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18   -2   -2   -2    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19    1    0   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0   -1   -3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21   -1    0    1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1   -1   -2    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23    2   -1   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.42                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2571    1.2611    1.2617   89.9409   90.5530   89.2222      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.2617    1.2564   90.0000   90.0000   90.0000      0.0000         1.0042    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0176    0.0000    0.0000    0.0000      0.0000         0.0141    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1415   -0.1599    0.7664)
 a2 = (   -0.1877    0.7492    0.1798)
 a3 = (   -0.7560   -0.2150    0.1027)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1449   -0.1478    0.7651) (    0.0037    0.0037    0.0010)
 a2 = (   -0.1887    0.7484    0.1803) (    0.0043    0.0013    0.0036)
 a3 = (   -0.7592   -0.2160    0.1020) (    0.0110    0.0049    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.7365   82.6336  -74.1191    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
             77             83
# Figure of merit at the beginning and the end of the refinement
        34.7489        51.7845
# Chi-squares at the beginning and the end of the refinement
    0.3626    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    0    3   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1   -3    0   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1    2   -1   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    0    2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -2   -1   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7    1    3    0    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    0    3    1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1   -1   -2   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    0    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2    1    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12    1    0   -3   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    0    1    3    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1    2    3    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    1    1   -2   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    0    0    2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    1    2    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    2    2    2    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19    0   -1    3    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    0    3    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    1   -1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1   -1    2    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    1   -2    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2    0    3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1   -3    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    1    2   -1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6    1   -2   -1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7    1    3    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0    3    1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9    1   -1   -2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    0    1    1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11    1    2    1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12    1    0   -3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0    1    3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14    1    2    3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    1    1   -2   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0    2    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17    1    1    2    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18    2    2    2    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19    0   -1    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    0    3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21    0    1   -1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1   -1    2    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23    1   -2    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.48                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2565    1.2578    1.2658   90.9805   89.1344   89.8873      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2590    1.2590    1.2617   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0471    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7593    0.2154   -0.1030)
 a2 = (   -0.1900    0.7504    0.1818)
 a3 = (    0.1308   -0.1383    0.7669)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7576    0.2158   -0.1018) (    0.0015    0.0044    0.0041)
 a2 = (   -0.1893    0.7499    0.1808) (    0.0043    0.0015    0.0050)
 a3 = (    0.1449   -0.1479    0.7650) (    0.0095    0.0090    0.0274)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -29.3813   15.1464   44.4197    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
             93             82
# Figure of merit at the beginning and the end of the refinement
        26.5825        51.5013
# Chi-squares at the beginning and the end of the refinement
    0.0289    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7403   -0.0641   -0.7289   -0.0565    0.0137    1
    2    1    3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -3    1   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4    1    2    1   -0.1906   -0.5896   -0.1976   -0.5890    0.0071    1
    5    0    2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1   -2    1   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7    0    3    1    0.1238   -0.5954    0.1201   -0.5972    0.0041    1
    8   -1    3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2   -1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    2    1    0.5333   -0.6065    0.5314   -0.6143    0.0080    1
   12    3    0    1   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -3    1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3    2    1    0.5273   -0.1495    0.5323   -0.1459    0.0061    1
   15    2    1    1   -0.3369   -0.2407   -0.3358   -0.2354    0.0054    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1    1    0.7223   -0.0830    0.7260   -0.0804    0.0045    1
   18   -2    2    2    1.0405   -0.5043    1.0655   -0.4953    0.0266    1
   19   -3   -1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    0    1    0.4421    0.1615    0.4436    0.1639    0.0027    1
   21    1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2   -1    1    0.2984    0.3287    0.2970    0.3320    0.0036    1
   23   -1   -2    1    0.0359    0.2682    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    1    3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -3    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1    2    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1   -2    1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0    3    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -1    3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    2   -1    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1    2    1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    3    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -3    1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -3    2    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    2    1    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16   -2    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -2    1    1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2    2    2    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -3   -1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -3    0    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    1    1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -2   -1    1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1   -2    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.50                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2574    1.2644    1.2581   89.9936   90.0101   90.1056      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.2617    1.2564   90.0000   90.0000   90.0000      0.0000         1.0042    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0176    0.0000    0.0000    0.0000      0.0000         0.0141    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1887    0.7512    0.1806)
 a2 = (   -0.1456    0.1484   -0.7631)
 a3 = (   -0.7583   -0.2151    0.1029)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1887    0.7484    0.1803) (    0.0043    0.0013    0.0036)
 a2 = (   -0.1449    0.1478   -0.7651) (    0.0037    0.0037    0.0010)
 a3 = (   -0.7592   -0.2160    0.1020) (    0.0110    0.0049    0.0035)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  166.7365   82.6336  -74.1191    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
             83             84
# Figure of merit at the beginning and the end of the refinement
        46.4461        51.4753
# Chi-squares at the beginning and the end of the refinement
    0.0256    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2    3    0   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -3   -1    0   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4    2   -1   -1   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5    2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -2   -1   -1   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7    3   -1    0    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8    3    0    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1   -1   -2   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10    1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1    1    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12    0   -1   -3   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13    1    0    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -1    3    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15    1   -1   -2   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    2    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18    2   -2    2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1    0    3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -1    3    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21    1    0   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1    2    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23   -2   -1    1    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2    3    0   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -3   -1    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    2   -1   -1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6   -2   -1   -1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7    3   -1    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    3    0    1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9   -1   -1   -2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1    0    1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11    2   -1    1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12    0   -1   -3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    1    0    3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14    2   -1    3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    1   -1   -2   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0    2    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17    1   -1    2    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18    2   -2    2    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19   -1    0    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0   -1    3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21    1    0   -1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22   -1   -1    2    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23   -2   -1    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.51                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2656    1.2664    1.2481   90.9756   89.8824   89.9354      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2581    1.2581    1.2636   90.0000   90.0000   90.0000      0.0000         0.9957    0.9957
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0514    0.0000    0.0000    0.0000      0.0000         0.0405    0.0405
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1870   -0.7465   -0.1791)
 a2 = (    0.7533    0.2142   -0.1023)
 a3 = (    0.1600   -0.1434    0.7720)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1889   -0.7507   -0.1805) (    0.0043    0.0016    0.0054)
 a2 = (    0.7583    0.2153   -0.1021) (    0.0016    0.0046    0.0044)
 a3 = (    0.1447   -0.1473    0.7640) (    0.0104    0.0098    0.0298)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -119.4958   15.1198   44.4903    0.9571    0.4508    1.0577
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0009      0.0022    0.0022    0.0400

# Number of computed bands
            400             88
# Figure of merit at the beginning and the end of the refinement
         7.7680        51.3901
# Chi-squares at the beginning and the end of the refinement
    0.0874    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    0   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    3    0    1   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4   -2    1    1   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5   -2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2    1    1   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7   -3    0    1    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8   -3   -1    0    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    2    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -1    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    3    1   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13   -1   -3    0    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14   -2   -3    1    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15   -1    2    1   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16    0   -2    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17   -1   -2    1    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18   -2   -2    2    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19    1   -3    0    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    0   -3    1    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21   -1    1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1   -2    1    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23    2   -1    1    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7293   -0.0553   -0.7289   -0.0565    0.0013    1
    2   -3    1    0   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3    3    0    1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -2    1    1   -0.1960   -0.5869   -0.1976   -0.5890    0.0026    1
    5   -2    0    0    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6    2    1    1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -3    0    1    0.1200   -0.5971    0.1201   -0.5972    0.0001    1
    8   -3   -1    0    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1    2    1   -0.1926    0.0485   -0.1940    0.0483    0.0015    1
   10   -1   -1    0    0.2266   -0.1282    0.2267   -0.1283    0.0002    1
   11   -2   -1    1    0.5344   -0.6138    0.5314   -0.6143    0.0030    1
   12    0    3    1   -0.1813   -0.0377   -0.1815   -0.0378    0.0003    1
   13   -1   -3    0    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -2   -3    1    0.5294   -0.1497    0.5323   -0.1459    0.0047    1
   15   -1    2    1   -0.3367   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0   -2    0    0.1251    0.0351    0.1256    0.0356    0.0007    1
   17   -1   -2    1    0.7281   -0.0809    0.7260   -0.0804    0.0021    1
   18   -2   -2    2    1.0583   -0.5119    1.0655   -0.4953    0.0182    1
   19    1   -3    0    0.0420    0.0276    0.0407    0.0272    0.0014    1
   20    0   -3    1    0.4420    0.1642    0.4436    0.1639    0.0016    1
   21   -1    1    0   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22    1   -2    1    0.2951    0.3307    0.2970    0.3320    0.0023    1
   23    2   -1    1    0.0342    0.2667    0.0342    0.2676    0.0009    1

###            No.53                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2591    1.2604    1.2603   89.9627   89.6072   90.1273      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2590    1.2590    1.2617   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0471    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7576   -0.2149    0.1028)
 a2 = (   -0.1896    0.7488    0.1814)
 a3 = (   -0.1407    0.1495   -0.7665)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7576   -0.2158    0.1018) (    0.0015    0.0044    0.0041)
 a2 = (   -0.1893    0.7499    0.1808) (    0.0043    0.0015    0.0050)
 a3 = (   -0.1449    0.1479   -0.7650) (    0.0095    0.0090    0.0274)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3813  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
             95             83
# Figure of merit at the beginning and the end of the refinement
        42.4242        51.1902
# Chi-squares at the beginning and the end of the refinement
    0.0308    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2   -1    3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -3   -1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    2   -1   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5    0    2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -2   -1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    0    3   -1    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8    1    3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2   -1   -1   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10    1    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    2   -1    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12   -3    0   -1   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13    3    1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    2   -1    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15   -2    1   -1   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    1   -1    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18    2    2   -2    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19    3   -1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3    0   -1    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1   -1    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23    1   -2   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -1    3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -3   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    2   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1   -2   -1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0    3   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    1    3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -2   -1   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1    2   -1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -3    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    3    1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    3    2   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2    1   -1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    2    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    2    1   -1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2    2   -2    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    3   -1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    3    0   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1    1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2   -1   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1   -2   -1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.80                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2586    1.2599    1.2613   90.5189   89.9819   90.1277      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2590    1.2590    1.2617   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0471    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7580    0.2150   -0.1029)
 a2 = (    0.1897   -0.7491   -0.1815)
 a3 = (   -0.1444    0.1415   -0.7666)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7576    0.2158   -0.1018) (    0.0015    0.0044    0.0041)
 a2 = (    0.1893   -0.7499   -0.1808) (    0.0043    0.0015    0.0050)
 a3 = (   -0.1449    0.1479   -0.7650) (    0.0095    0.0090    0.0274)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -150.6187  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
             89             89
# Figure of merit at the beginning and the end of the refinement
        42.6995        49.4345
# Chi-squares at the beginning and the end of the refinement
    0.0289    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7307   -0.0595   -0.7289   -0.0565    0.0035    1
    2    1   -3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    3   -1   -0.0255    0.0854   -0.0241    0.0824    0.0033    1
    4    1   -2   -1   -0.1957   -0.5882   -0.1976   -0.5890    0.0021    1
    5    0   -2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    2   -1   -0.1050    0.1167   -0.1046    0.1173    0.0007    1
    7    0   -3   -1    0.1207   -0.5983    0.1201   -0.5972    0.0013    1
    8   -1   -3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2    1   -1   -0.1931    0.0481   -0.1940    0.0483    0.0010    1
   10   -1   -1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1   -2   -1    0.5346   -0.6146    0.5314   -0.6143    0.0031    1
   12    3    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3   -1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3   -2   -1    0.5305   -0.1505    0.5323   -0.1459    0.0049    1
   15    2   -1   -1   -0.3371   -0.2378   -0.3358   -0.2354    0.0027    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -1   -1    0.7296   -0.0830    0.7260   -0.0804    0.0045    1
   18   -2   -2   -2    1.0562   -0.5162    1.0655   -0.4953    0.0229    1
   19   -3    1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    0   -1    0.4443    0.1641    0.4436    0.1639    0.0008    1
   21    1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1   -1    0.2976    0.3325    0.2970    0.3320    0.0008    1
   23   -1    2   -1    0.0339    0.2688    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    1   -3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0    3   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1   -2   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1    2   -1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0   -3   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -1   -3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    2    1   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1   -1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1   -2   -1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    3    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -3   -1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -3   -2   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    2   -1   -1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16   -2    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -2   -1   -1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2   -2   -2    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -3    1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -3    0   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -2    1   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1    2   -1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.91                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8719    0.8748    2.6233   89.3603   91.5389   89.7437      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8730    0.8730    2.6245   90.0000   90.0000   90.0000      0.0000         0.3326    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0980    0.0000    0.0000    0.0000      0.0000         0.0124    0.0124
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.0940   -0.3111    0.1512)
 a2 = (    0.2755   -1.0775   -0.2644)
 a3 = (    0.0605   -0.0707    0.3698)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0926   -0.3112    0.1468) (    0.0022    0.0064    0.0059)
 a2 = (    0.2730   -1.0815   -0.2608) (    0.0061    0.0022    0.0072)
 a3 = (    0.0697   -0.0711    0.3678) (    0.0045    0.0043    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  150.6187   15.1464   44.4197    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            229            211
# Figure of merit at the beginning and the end of the refinement
        14.5742        32.1059
# Chi-squares at the beginning and the end of the refinement
    0.0647    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    3   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2   -1   -3    0   -0.0136   -0.1802   -0.0133   -0.1793    0.0009    1
    3    0    1    1   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4   -1   -2    3   -0.1922   -0.5981   -0.1976   -0.5890    0.0106    1
    5    0   -2    0    0.0589   -0.2303    0.0566   -0.2258    0.0051    1
    6   -1    2    3   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7    0   -1    1    0.1287   -0.6025    0.1201   -0.5972    0.0101    1
    8    1   -3    0    0.1484   -0.2257    0.1441   -0.2219    0.0057    1
    9   -2    1    3   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10    1   -1    0    0.2311   -0.1293    0.2267   -0.1283    0.0045    1
   11    1   -2    3    0.5451   -0.6077    0.5314   -0.6143    0.0152    1
   12   -1    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    3   -1    0    0.2015   -0.0082    0.1981   -0.0091    0.0035    1
   14    3   -2    3    0.5322   -0.1471    0.5323   -0.1459    0.0012    1
   15   -2   -1    3   -0.3401   -0.2416   -0.3358   -0.2354    0.0076    1
   16    2    0    0    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17    2   -1    3    0.7263   -0.0774    0.7260   -0.0804    0.0030    1
   18    2   -2    6    1.0542   -0.4917    1.0655   -0.4953    0.0118    1
   19    3    1    0    0.0435    0.0291    0.0407    0.0272    0.0033    1
   20    1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    1    3    0.2986    0.3298    0.2970    0.3320    0.0028    1
   23    1    2    3    0.0362    0.2684    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -1   -3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0    1    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1   -2    3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1    2    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0   -1    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    1   -3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -2    1    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    1   -1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1   -2    3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    3   -1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    3   -2    3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2   -1    3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    2    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    2   -1    3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2   -2    6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    3    1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1    0    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2    1    3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1    2    3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.92                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8698    0.8744    2.6306   91.5407   89.7136   89.7629      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8730    0.8730    2.6245   90.0000   90.0000   90.0000      0.0000         0.3326    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0980    0.0000    0.0000    0.0000      0.0000         0.0124    0.0124
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2779    1.0851    0.2590)
 a2 = (    1.0909    0.3102   -0.1507)
 a3 = (   -0.0603    0.0705   -0.3688)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2730    1.0815    0.2608) (    0.0061    0.0022    0.0072)
 a2 = (    1.0926    0.3112   -0.1468) (    0.0022    0.0064    0.0059)
 a3 = (   -0.0697    0.0711   -0.3678) (    0.0045    0.0043    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  119.3813  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            225            212
# Figure of merit at the beginning and the end of the refinement
        13.5290        32.0300
# Chi-squares at the beginning and the end of the refinement
    0.0499    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -3   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2    3    1    0   -0.0126   -0.1747   -0.0133   -0.1793    0.0046    1
    3   -1    0   -1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4    2    1   -3   -0.1864   -0.5907   -0.1976   -0.5890    0.0113    1
    5    2    0    0    0.0574   -0.2240    0.0566   -0.2258    0.0020    1
    6   -2    1   -3   -0.1048    0.1188   -0.1046    0.1173    0.0015    1
    7    1    0   -1    0.1269   -0.5916    0.1201   -0.5972    0.0088    1
    8    3   -1    0    0.1443   -0.2208    0.1441   -0.2219    0.0012    1
    9   -1    2   -3   -0.1940    0.0497   -0.1940    0.0483    0.0014    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1   -3    0.5347   -0.6014    0.5314   -0.6143    0.0133    1
   12    0    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1   -3    0    0.1999   -0.0087    0.1981   -0.0091    0.0019    1
   14    2   -3   -3    0.5274   -0.1486    0.5323   -0.1459    0.0056    1
   15    1    2   -3   -0.3372   -0.2416   -0.3358   -0.2354    0.0064    1
   16    0   -2    0    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17    1   -2   -3    0.7225   -0.0803    0.7260   -0.0804    0.0035    1
   18    2   -2   -6    1.0420   -0.4941    1.0655   -0.4953    0.0236    1
   19   -1   -3    0    0.0444    0.0299    0.0407    0.0272    0.0045    1
   20    0   -1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1    1    0   -0.0338   -0.0579   -0.0357   -0.0605    0.0032    1
   22   -1   -2   -3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23   -2   -1   -3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    3    1    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1    0   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    2    1   -3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    2    0    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -2    1   -3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    1    0   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    3   -1    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1    2   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    1   -1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    2   -1   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    0    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    1   -3    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    2   -3   -3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1    2   -3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0   -2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1   -2   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2   -2   -6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -1   -3    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    0   -1   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    1    1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1   -2   -3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -2   -1   -3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.93                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8636    0.8754    2.6481   92.3728   89.9332   89.0771      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8730    0.8730    2.6245   90.0000   90.0000   90.0000      0.0000         0.3326    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0980    0.0000    0.0000    0.0000      0.0000         0.0124    0.0124
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1016   -0.3289    0.1395)
 a2 = (   -0.2707    1.0807    0.2572)
 a3 = (   -0.0704    0.0850   -0.3615)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0926   -0.3112    0.1468) (    0.0022    0.0064    0.0059)
 a2 = (   -0.2730    1.0815    0.2608) (    0.0061    0.0022    0.0072)
 a3 = (   -0.0697    0.0711   -0.3678) (    0.0045    0.0043    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3813  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            400            213
# Figure of merit at the beginning and the end of the refinement
         5.0069        31.9548
# Chi-squares at the beginning and the end of the refinement
    0.3120    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -3   -0.7175   -0.0405   -0.7289   -0.0565    0.0197    1
    2   -1    3    0   -0.0143   -0.1758   -0.0133   -0.1793    0.0036    1
    3    0   -1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    2   -3   -0.2013   -0.5833   -0.1976   -0.5890    0.0067    1
    5    0    2    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -1   -2   -3   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    0    1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1    3    0    0.1435   -0.2185    0.1441   -0.2219    0.0035    1
    9   -2   -1   -3   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    1    1    0    0.2223   -0.1218    0.2267   -0.1283    0.0079    1
   11    1    2   -3    0.5484   -0.6042    0.5314   -0.6143    0.0197    1
   12   -1    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    3    1    0    0.1888   -0.0050    0.1981   -0.0091    0.0102    1
   14    3    2   -3    0.5216   -0.1320    0.5323   -0.1459    0.0176    1
   15   -2    1   -3   -0.3352   -0.2320   -0.3358   -0.2354    0.0035    1
   16    2    0    0    0.1163    0.0347    0.1256    0.0356    0.0094    1
   17    2    1   -3    0.7123   -0.0529    0.7260   -0.0804    0.0307    0
   18    2    2   -6    1.0782   -0.4615    1.0655   -0.4953    0.0361    1
   19    3   -1    0    0.0363    0.0247    0.0407    0.0272    0.0051    1
   20    1    0   -1    0.4184    0.1679    0.4436    0.1639    0.0255    0
   21   -1    1    0   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22    2   -1   -3    0.2745    0.3179    0.2970    0.3320    0.0265    0
   23    1   -2   -3    0.0323    0.2544    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -1    3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -1   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    2   -3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1   -2   -3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0    1   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    1    3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -2   -1   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1    2   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    3    1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    3    2   -3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2    1   -3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    2    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    2    1   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2    2   -6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    3   -1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1    0   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1    1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2   -1   -3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1   -2   -3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.96                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8728    0.8752    2.6189   89.6221   91.1021   90.2776      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8730    0.8730    2.6245   90.0000   90.0000   90.0000      0.0000         0.3326    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0980    0.0000    0.0000    0.0000      0.0000         0.0124    0.0124
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2702   -1.0825   -0.2615)
 a2 = (   -1.0893   -0.3128    0.1455)
 a3 = (   -0.0657    0.0653   -0.3705)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2730   -1.0815   -0.2608) (    0.0061    0.0022    0.0072)
 a2 = (   -1.0926   -0.3112    0.1468) (    0.0022    0.0064    0.0059)
 a3 = (   -0.0697    0.0711   -0.3678) (    0.0045    0.0043    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.6187  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            213            215
# Figure of merit at the beginning and the end of the refinement
        16.0648        31.8058
# Chi-squares at the beginning and the end of the refinement
    0.0355    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -3   -0.7449   -0.0676   -0.7289   -0.0565    0.0195    1
    2   -3   -1    0   -0.0140   -0.1784   -0.0133   -0.1793    0.0012    1
    3    1    0   -1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4   -2   -1   -3   -0.1927   -0.5896   -0.1976   -0.5890    0.0050    1
    5   -2    0    0    0.0568   -0.2274    0.0566   -0.2258    0.0016    1
    6    2   -1   -3   -0.1075    0.1205   -0.1046    0.1173    0.0043    1
    7   -1    0   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -3    1    0    0.1446   -0.2233    0.1441   -0.2219    0.0014    1
    9    1   -2   -3   -0.1992    0.0491   -0.1940    0.0483    0.0052    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1   -3    0.5318   -0.6147    0.5314   -0.6143    0.0005    1
   12    0   -1   -1   -0.1862   -0.0399   -0.1815   -0.0378    0.0052    1
   13   -1    3    0    0.1970   -0.0080    0.1981   -0.0091    0.0016    1
   14   -2    3   -3    0.5303   -0.1513    0.5323   -0.1459    0.0057    1
   15   -1   -2   -3   -0.3390   -0.2435   -0.3358   -0.2354    0.0087    1
   16    0    2    0    0.1234    0.0354    0.1256    0.0356    0.0022    1
   17   -1    2   -3    0.7292   -0.0845    0.7260   -0.0804    0.0052    1
   18   -2    2   -6    1.0504   -0.5183    1.0655   -0.4953    0.0276    1
   19    1    3    0    0.0402    0.0271    0.0407    0.0272    0.0006    1
   20    0    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -1    0   -0.0363   -0.0618   -0.0357   -0.0605    0.0014    1
   22    1    2   -3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    2    1   -3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -3   -1    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    0   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -2   -1   -3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5   -2    0    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    2   -1   -3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1    0   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -3    1    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1   -2   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -2    1   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    0   -1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -1    3    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -2    3   -3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -2   -3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1    2   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2    2   -6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    1    3    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    0    1   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    2   -3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    2    1   -3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.97                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8717    0.8744    2.6240   89.9750   90.4901   90.0674      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8730    0.8730    2.6245   90.0000   90.0000   90.0000      0.0000         0.3326    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0980    0.0000    0.0000    0.0000      0.0000         0.0124    0.0124
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0948    0.3081   -0.1498)
 a2 = (    0.2701   -1.0808   -0.2588)
 a3 = (   -0.0671    0.0716   -0.3683)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0926    0.3112   -0.1468) (    0.0022    0.0064    0.0059)
 a2 = (    0.2730   -1.0815   -0.2608) (    0.0061    0.0022    0.0072)
 a3 = (   -0.0697    0.0711   -0.3678) (    0.0045    0.0043    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -150.6187  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            223            219
# Figure of merit at the beginning and the end of the refinement
        27.6299        31.5140
# Chi-squares at the beginning and the end of the refinement
    0.0480    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7330   -0.0528   -0.7289   -0.0565    0.0055    1
    2    1   -3    0   -0.0141   -0.1753   -0.0133   -0.1793    0.0040    1
    3    0    1   -1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4    1   -2   -3   -0.1968   -0.5871   -0.1976   -0.5890    0.0021    1
    5    0   -2    0    0.0563   -0.2254    0.0566   -0.2258    0.0005    1
    6    1    2   -3   -0.1050    0.1183   -0.1046    0.1173    0.0010    1
    7    0   -1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -1   -3    0    0.1442   -0.2220    0.1441   -0.2219    0.0001    1
    9    2    1   -3   -0.1928    0.0492   -0.1940    0.0483    0.0016    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2   -3    0.5359   -0.6126    0.5314   -0.6143    0.0048    1
   12    1    0   -1   -0.1805   -0.0367   -0.1815   -0.0378    0.0015    1
   13   -3   -1    0    0.1989   -0.0088    0.1981   -0.0091    0.0008    1
   14   -3   -2   -3    0.5296   -0.1495    0.5323   -0.1459    0.0045    1
   15    2   -1   -3   -0.3370   -0.2355   -0.3358   -0.2354    0.0013    1
   16   -2    0    0    0.1268    0.0357    0.1256    0.0356    0.0012    1
   17   -2   -1   -3    0.7275   -0.0805    0.7260   -0.0804    0.0015    1
   18   -2   -2   -6    1.0574   -0.5071    1.0655   -0.4953    0.0143    1
   19   -3    1    0    0.0438    0.0292    0.0407    0.0272    0.0036    1
   20   -1    0   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -1    0   -0.0344   -0.0580   -0.0357   -0.0605    0.0028    1
   22   -2    1   -3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23   -1    2   -3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    1   -3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0    1   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1   -2   -3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1    2   -3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0   -1   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -1   -3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    2    1   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1   -1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1   -2   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    1    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -3   -1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -3   -2   -3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    2   -1   -3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16   -2    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -2   -1   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2   -2   -6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -3    1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1    0   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -2    1   -3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1    2   -3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.98                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8706    0.8717    2.6355   90.3334   90.3253   89.8673      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8730    0.8730    2.6245   90.0000   90.0000   90.0000      0.0000         0.3326    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0980    0.0000    0.0000    0.0000      0.0000         0.0124    0.0124
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2710    1.0847    0.2635)
 a2 = (   -1.0942   -0.3118    0.1469)
 a3 = (    0.0669   -0.0701    0.3669)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2730    1.0815    0.2608) (    0.0061    0.0022    0.0072)
 a2 = (   -1.0926   -0.3112    0.1468) (    0.0022    0.0064    0.0059)
 a3 = (    0.0697   -0.0711    0.3678) (    0.0045    0.0043    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.6187   15.1464   44.4197    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            217            221
# Figure of merit at the beginning and the end of the refinement
        24.5713        31.3711
# Chi-squares at the beginning and the end of the refinement
    0.0358    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    3   -0.7319   -0.0573   -0.7289   -0.0565    0.0031    1
    2    3   -1    0   -0.0141   -0.1794   -0.0133   -0.1793    0.0009    1
    3   -1    0    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    2   -1    3   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5    2    0    0    0.0571   -0.2287    0.0566   -0.2258    0.0029    1
    6   -2   -1    3   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    1    0    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    3    1    0    0.1454   -0.2244    0.1441   -0.2219    0.0028    1
    9   -1   -2    3   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    1    1    0    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11    2    1    3    0.5336   -0.6123    0.5314   -0.6143    0.0029    1
   12    0   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    0    0.1978   -0.0083    0.1981   -0.0091    0.0009    1
   14    2    3    3    0.5286   -0.1493    0.5323   -0.1459    0.0050    1
   15    1   -2    3   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0    2    0    0.1242    0.0354    0.1256    0.0356    0.0014    1
   17    1    2    3    0.7251   -0.0805    0.7260   -0.0804    0.0009    1
   18    2    2    6    1.0521   -0.5083    1.0655   -0.4953    0.0186    1
   19   -1    3    0    0.0406    0.0272    0.0407    0.0272    0.0002    1
   20    0    1    1    0.4394    0.1634    0.4436    0.1639    0.0042    1
   21    1   -1    0   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22   -1    2    3    0.2929    0.3274    0.2970    0.3320    0.0062    1
   23   -2    1    3    0.0344    0.2632    0.0342    0.2676    0.0045    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    3   -1    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1    0    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    2   -1    3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    2    0    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -2   -1    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    1    0    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    3    1    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1   -2    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    2    1    3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    0   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    1    3    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    2    3    3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1   -2    3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1    2    3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2    2    6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -1    3    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    0    1    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1    2    3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -2    1    3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.99                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4139    1.4164    0.9987   90.2468   90.2201   89.9467      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4093    1.4093    1.0070   90.0000   90.0000   90.0000      0.0000         1.3995    1.3995
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0140    0.0000    0.0000    0.0000      0.0000         0.0194    0.0194
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3865   -0.2263    0.5474)
 a2 = (    0.5673    0.0443    0.4180)
 a3 = (   -0.2369    0.9457    0.2286)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3854   -0.2289    0.5500) (    0.0031    0.0034    0.0021)
 a2 = (    0.5710    0.0449    0.4188) (    0.0020    0.0045    0.0027)
 a3 = (   -0.2378    0.9379    0.2237) (    0.0074    0.0130    0.0055)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   52.7145   76.9797 -165.7710    0.2779    0.2918    0.3673
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0026   -0.0007    0.0039      0.0027    0.0025    0.0118

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.6498         5.0260
# Chi-squares at the beginning and the end of the refinement
    0.1926    0.1227
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7324   -0.0571   -0.7289   -0.0565    0.0035    1
    2   -1    1    4   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3    2    1   -5   -0.0132    0.0694   -0.0241    0.0824    0.0169    1
    4    0    1    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    0    2    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6    0    1   -1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    1    1    4    0.1063   -0.4994    0.1201   -0.5972    0.0987    0
    8    1   -1    4    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9   -2    6   -2   -0.1932    0.0488   -0.1940    0.0483    0.0009    1
   10    2   -2    2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11    1    0    1    0.5338   -0.6161    0.5314   -0.6143    0.0030    1
   12   -2    4    0   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13    4   -4    2    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14    2   -1    1    0.5311   -0.1512    0.5323   -0.1459    0.0054    1
   15   -2    6    2   -0.3375   -0.2378   -0.3358   -0.2354    0.0030    1
   16    1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    6   -2    2    0.7305   -0.0828    0.7260   -0.0804    0.0051    1
   18    4    0    2    1.0582   -0.5168    1.0655   -0.4953    0.0227    1
   19    4   -3   -3    0.0295    0.0451    0.0407    0.0272    0.0211    0
   20    4   -2    0    0.4440    0.1646    0.4436    0.1639    0.0008    1
   21   -2    2    2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    6   -2   -2    0.2964    0.3320    0.2970    0.3320    0.0006    1
   23    1    0   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7287   -0.0577   -0.7289   -0.0565    0.0013    1
    2   -1    1    4   -0.0029   -0.1896   -0.0133   -0.1793    0.0146    1
    3    2    1   -5   -0.0172    0.0746   -0.0241    0.0824    0.0104    1
    4    0    1    1   -0.2007   -0.5848   -0.1976   -0.5890    0.0052    1
    5    0    0    2    0.0540   -0.2239    0.0566   -0.2258    0.0032    1
    6    0    1   -1   -0.1109    0.1189   -0.1046    0.1173    0.0065    1
    7    2    1    5    0.1779   -0.5564    0.1201   -0.5972    0.0707    0
    8    1   -1    4    0.1213   -0.2266    0.1441   -0.2219    0.0233    0
    9   -2    6   -2   -0.1967    0.0470   -0.1940    0.0483    0.0029    1
   10    2   -2    2    0.2235   -0.1264    0.2267   -0.1283    0.0037    1
   11    1    0    1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12   -2    4    0   -0.1824   -0.0382   -0.1815   -0.0378    0.0009    1
   13    4   -4    2    0.2154   -0.0402    0.1981   -0.0091    0.0356    0
   14    2   -1    1    0.5278   -0.1468    0.5323   -0.1459    0.0046    1
   15   -2    6    2   -0.3370   -0.2345   -0.3358   -0.2354    0.0015    1
   16    1   -1    0    0.1237    0.0355    0.1256    0.0356    0.0019    1
   17    6   -2    2    0.7269   -0.0772    0.7260   -0.0804    0.0033    1
   18    4    0    2    1.0634   -0.5079    1.0655   -0.4953    0.0129    1
   19    4   -3   -3    0.0296    0.0484    0.0407    0.0272    0.0239    0
   20    4   -2    0    0.4408    0.1655    0.4436    0.1639    0.0032    1
   21   -2    2    2   -0.0360   -0.0569   -0.0357   -0.0605    0.0036    1
   22    6   -2   -2    0.2960    0.3341    0.2970    0.3320    0.0023    1
   23    1    0   -1    0.0320    0.2735    0.0342    0.2676    0.0063    1

###            No.100                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4004    1.4194    1.0066   91.3872   90.7356   89.6059      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4056    1.4056    1.0122   90.0000   90.0000   90.0000      0.0000         1.3887    1.3887
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0136    0.0000    0.0000    0.0000      0.0000         0.0186    0.0186
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5812    0.0335    0.4137)
 a2 = (   -0.3791   -0.2389    0.5440)
 a3 = (    0.2285   -0.9411   -0.2230)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5738    0.0426    0.4184) (    0.0019    0.0043    0.0027)
 a2 = (   -0.3859   -0.2281    0.5524) (    0.0031    0.0033    0.0021)
 a3 = (    0.2322   -0.9339   -0.2234) (    0.0068    0.0126    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   37.1370  103.0718   13.9643    0.2715    0.2827    0.3477
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0063   -0.0010    0.0071      0.0021    0.0025    0.0117

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9877         4.4468
# Chi-squares at the beginning and the end of the refinement
    1.9468    0.2856
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    0   -0.7094   -0.0409   -0.7289   -0.0565    0.0250    1
    2    1   -1   -4   -0.0022   -0.1887   -0.0133   -0.1793    0.0145    1
    3    1    2    5   -0.0136    0.0725   -0.0241    0.0824    0.0144    1
    4    1    0   -1   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5    0    0   -2    0.0543   -0.2238    0.0566   -0.2258    0.0030    1
    6    1    0    1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    1    2   -5    0.1735   -0.5603    0.1201   -0.5972    0.0648    0
    8   -1    1   -4    0.1220   -0.2273    0.1441   -0.2219    0.0227    0
    9    6   -2    2   -0.1892    0.0484   -0.1940    0.0483    0.0048    1
   10   -2    2   -2    0.2258   -0.1270    0.2267   -0.1283    0.0016    1
   11    0    1   -1    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12    4   -2    0   -0.1769   -0.0351   -0.1815   -0.0378    0.0054    1
   13   -4    4   -2    0.2176   -0.0401    0.1981   -0.0091    0.0367    0
   14   -1    2   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    6   -2   -2   -0.3334   -0.2253   -0.3358   -0.2354    0.0103    1
   16   -1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    6   -2    0.7332   -0.0719    0.7260   -0.0804    0.0111    1
   18    0    4   -2    1.0886   -0.5113    1.0655   -0.4953    0.0281    1
   19   -3    4    3    0.0316    0.0476    0.0407    0.0272    0.0223    0
   20   -2    4    0    0.4394    0.1677    0.4436    0.1639    0.0057    1
   21    2   -2   -2   -0.0338   -0.0560   -0.0357   -0.0605    0.0049    1
   22   -2    6    2    0.2919    0.3313    0.2970    0.3320    0.0051    1
   23    0    1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    0   -0.7262   -0.0544   -0.7289   -0.0565    0.0034    1
    2    1   -1   -4   -0.0077   -0.1892   -0.0133   -0.1793    0.0114    1
    3    1    2    5   -0.0208    0.0756   -0.0241    0.0824    0.0076    1
    4    1    0   -1   -0.2097   -0.5824   -0.1976   -0.5890    0.0137    1
    5    0    0   -2    0.0494   -0.2247    0.0566   -0.2258    0.0073    1
    6    1    0    1   -0.1143    0.1185   -0.1046    0.1173    0.0098    1
    7    1    2   -5    0.1722   -0.5600    0.1201   -0.5972    0.0640    0
    8   -1    1   -4    0.1175   -0.2280    0.1441   -0.2219    0.0273    0
    9    6   -2    2   -0.1980    0.0464   -0.1940    0.0483    0.0044    1
   10   -2    2   -2    0.2211   -0.1275    0.2267   -0.1283    0.0056    1
   11    0    1   -1    0.5348   -0.6187    0.5314   -0.6143    0.0056    1
   12    4   -2    0   -0.1830   -0.0371   -0.1815   -0.0378    0.0016    1
   13   -4    4   -2    0.2133   -0.0410    0.1981   -0.0091    0.0353    0
   14   -1    2   -1    0.5259   -0.1477    0.5323   -0.1459    0.0066    1
   15    6   -2   -2   -0.3392   -0.2299   -0.3358   -0.2354    0.0064    1
   16   -1    1    0    0.1222    0.0353    0.1256    0.0356    0.0034    1
   17   -2    6   -2    0.7251   -0.0780    0.7260   -0.0804    0.0025    1
   18    0    4   -2    1.0650   -0.5106    1.0655   -0.4953    0.0154    1
   19   -3    4    3    0.0277    0.0498    0.0407    0.0272    0.0261    0
   20   -2    4    0    0.4391    0.1642    0.4436    0.1639    0.0045    1
   21    2   -2   -2   -0.0389   -0.0549   -0.0357   -0.0605    0.0064    1
   22   -2    6    2    0.2957    0.3336    0.2970    0.3320    0.0020    1
   23    0    1    1    0.0303    0.2753    0.0342    0.2676    0.0086    1

###            No.101                ###
# Bravais type
   Tetragonal(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7928    1.8537    0.6021   90.2714   89.5674   88.2152      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.8174    1.8174    0.6055   90.0000   90.0000   90.0000      0.0000         3.0014    3.0014
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0090    0.0000    0.0000    0.0000      0.0000         0.0444    0.0444
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5324   -0.1510    0.0722)
 a2 = (   -0.0827    0.1033   -0.5232)
 a3 = (    0.4055   -1.5648   -0.3816)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5249   -0.1489    0.0710) (    0.0010    0.0033    0.0026)
 a2 = (   -0.1009    0.1025   -0.5311) (    0.0027    0.0026    0.0007)
 a3 = (    0.3917   -1.5598   -0.3755) (    0.0112    0.0236    0.0086)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.3889  103.1418   14.0976    0.2808    0.2709    0.3560
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0027      0.0021    0.0025    0.0128

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.8053         3.8540
# Chi-squares at the beginning and the end of the refinement
    0.0351    0.0077
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    0   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    0   -1    1   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4   -3   -3   -2   -0.1858   -0.5879   -0.1976   -0.5890    0.0119    1
    5    0    0   -2    0.0592   -0.2285    0.0566   -0.2258    0.0038    1
    6   -3   -3    2   -0.0981    0.1103   -0.1046    0.1173    0.0096    1
    7    0   -1   -1    0.1304   -0.5903    0.1201   -0.5972    0.0123    1
    8    1    0   -1    0.1479   -0.2229    0.1441   -0.2219    0.0039    1
    9   -6   -3    1   -0.1845    0.0464   -0.1940    0.0483    0.0098    1
   10    3    0   -1    0.2284   -0.1268    0.2267   -0.1283    0.0023    1
   11    3   -3   -2    0.5364   -0.5877    0.5314   -0.6143    0.0270    1
   12   -3   -1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    7    0   -1    0.2115   -0.0260    0.1981   -0.0091    0.0216    0
   14    5   -2   -1    0.5910   -0.1228    0.5323   -0.1459    0.0631    0
   15   -6   -3   -1   -0.3318   -0.2361   -0.3358   -0.2354    0.0040    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    6   -3   -1    0.7039   -0.0732    0.7260   -0.0804    0.0232    1
   18    5   -5   -2    0.8932   -0.5424    1.0655   -0.4953    0.1786    0
   19    7    0    1    0.0230    0.0182    0.0407    0.0272    0.0199    0
   20    3   -1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -3    0   -1   -0.0358   -0.0606   -0.0357   -0.0605    0.0001    1
   22    6   -3    1    0.2904    0.3178    0.2970    0.3320    0.0156    1
   23    3   -3    2    0.0357    0.2580    0.0342    0.2676    0.0098    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7288   -0.0545   -0.7289   -0.0565    0.0020    1
    2   -1    0   -1   -0.0133   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -1    1   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4   -3   -3   -2   -0.1963   -0.5866   -0.1976   -0.5890    0.0027    1
    5    0    0   -2    0.0572   -0.2263    0.0566   -0.2258    0.0008    1
    6   -3   -3    2   -0.1042    0.1168   -0.1046    0.1173    0.0007    1
    7    0   -1   -1    0.1195   -0.5971    0.1201   -0.5972    0.0006    1
    8    1    0   -1    0.1446   -0.2223    0.1441   -0.2219    0.0007    1
    9   -6   -3    1   -0.1926    0.0485   -0.1940    0.0483    0.0014    1
   10    3    0   -1    0.2264   -0.1283    0.2267   -0.1283    0.0003    1
   11    3   -3   -2    0.5343   -0.6147    0.5314   -0.6143    0.0029    1
   12   -3   -1    0   -0.1813   -0.0377   -0.1815   -0.0378    0.0003    1
   13    7    0   -1    0.2110   -0.0272    0.1981   -0.0091    0.0222    0
   14    5   -2   -1    0.6071   -0.1319    0.5323   -0.1459    0.0761    0
   15   -6   -3   -1   -0.3367   -0.2368   -0.3358   -0.2354    0.0016    1
   16    2    0    0    0.1252    0.0350    0.1256    0.0356    0.0007    1
   17    6   -3   -1    0.7289   -0.0811    0.7260   -0.0804    0.0030    1
   18    5   -5   -2    0.9158   -0.5875    1.0655   -0.4953    0.1759    0
   19    7    0    1    0.0231    0.0175    0.0407    0.0272    0.0202    0
   20    3   -1    0    0.4425    0.1643    0.4436    0.1639    0.0012    1
   21   -3    0   -1   -0.0349   -0.0604   -0.0357   -0.0605    0.0008    1
   22    6   -3    1    0.2953    0.3311    0.2970    0.3320    0.0019    1
   23    3   -3    2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###                                ###
### Candidates for   Tetragonal(P) ###
###                                ###

###            No.1                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0013    1.0141    0.9855   90.4410   90.8349   91.9005      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9997    0.9997    1.0006   90.0000   90.0000   90.0000      0.0000         0.9991    0.9991
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0138    0.0000    0.0000    0.0000      0.0000         0.0138    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9533   -0.2704    0.1294)
 a2 = (    0.1480   -0.1850    0.9578)
 a3 = (   -0.2550    0.9544    0.2323)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9542   -0.2711    0.1289) (    0.0018    0.0056    0.0043)
 a2 = (    0.1834   -0.1866    0.9655) (    0.0046    0.0046    0.0012)
 a3 = (   -0.2374    0.9437    0.2275) (    0.0066    0.0132    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    7.6024   76.8433 -165.8798    0.2576    0.2617    0.3306
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0035      0.0021    0.0021    0.0120

# Number of computed bands
            400            149
# Figure of merit at the beginning and the end of the refinement
         5.4027        39.0676
# Chi-squares at the beginning and the end of the refinement
    0.1801    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -1    0    3   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3    0    1   -3   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4   -1    1    2   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    0    0    1    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -1    1   -2   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    0    1    3    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    1    0    3    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9   -2    1   -1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    2    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12   -3    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    3    0    1    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    3    1    2    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15   -2    1    1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    1    1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    1    1    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19    3    0   -1    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    3    1    0    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -1    0    1   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22    2    1   -1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23    1    1   -2    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2   -1    0    3   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    0    1   -3   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4   -1    1    2   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0    0    1    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6   -1    1   -2   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7    0    1    3    0.1198   -0.5975    0.1201   -0.5972    0.0004    1
    8    1    0    3    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -2    1   -1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10    1    0    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11    1    1    2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12   -3    1    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    3    0    1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    3    1    2    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15   -2    1    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    1    0    0    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    2    1    1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18    1    1    1    1.0605   -0.5115    1.0655   -0.4953    0.0170    1
   19    3    0   -1    0.0422    0.0275    0.0407    0.0272    0.0014    1
   20    3    1    0    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21   -1    0    1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22    2    1   -1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23    1    1   -2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.2                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9855    1.0141    1.0013   91.9005   90.8349   90.4410      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0005    1.0005    0.9989   90.0000   90.0000   90.0000      0.0000         1.0016    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0147    0.0000    0.0000    0.0000      0.0000         0.0147    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2550   -0.9544   -0.2323)
 a2 = (   -0.1480    0.1850   -0.9578)
 a3 = (    0.9533    0.2704   -0.1294)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2374   -0.9439   -0.2273) (    0.0055    0.0017    0.0046)
 a2 = (   -0.1831    0.1863   -0.9647) (    0.0047    0.0047    0.0013)
 a3 = (    0.9550    0.2712   -0.1288) (    0.0145    0.0064    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.7413   97.3950  105.8559    0.2728    0.2530    0.3406
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0022      0.0021    0.0020    0.0139

# Number of computed bands
            400            158
# Figure of merit at the beginning and the end of the refinement
         5.4027        38.3655
# Chi-squares at the beginning and the end of the refinement
    2.1899    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -3    0    1   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3    3   -1    0   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4   -2   -1    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5   -1    0    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6    2   -1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7   -3   -1    0    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8   -3    0   -1    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9    1   -1    2   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10   -1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -1   -1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    0   -1    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1    0   -3    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14   -2   -1   -3    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15   -1   -1    2   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1   -2    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18   -1   -1   -1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19    1    0   -3    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    0   -1   -3    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -1    0    1   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22    1   -1   -2    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23    2   -1   -1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7284   -0.0548   -0.7289   -0.0565    0.0018    1
    2   -3    0    1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3    3   -1    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4   -2   -1    1   -0.1967   -0.5869   -0.1976   -0.5890    0.0023    1
    5   -1    0    0    0.0573   -0.2264    0.0566   -0.2258    0.0010    1
    6    2   -1    1   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -3   -1    0    0.1199   -0.5977    0.1201   -0.5972    0.0005    1
    8   -3    0   -1    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9    1   -1    2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    0   -1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2   -1   -1    0.5354   -0.6142    0.5314   -0.6143    0.0040    1
   12    0   -1    3   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -1    0   -3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -2   -1   -3    0.5294   -0.1492    0.5323   -0.1459    0.0043    1
   15   -1   -1    2   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16    0    0   -1    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1   -1   -2    0.7281   -0.0801    0.7260   -0.0804    0.0021    1
   18   -1   -1   -1    1.0602   -0.5111    1.0655   -0.4953    0.0167    1
   19    1    0   -3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -1   -3    0.4418    0.1641    0.4436    0.1639    0.0018    1
   21   -1    0    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -1   -2    0.2953    0.3306    0.2970    0.3320    0.0022    1
   23    2   -1   -1    0.0343    0.2671    0.0342    0.2676    0.0006    1

###            No.3                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9906    1.0048    1.0048   90.0261   90.1692   90.9941      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9997    0.9997    1.0006   90.0000   90.0000   90.0000      0.0000         0.9991    0.9991
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0138    0.0000    0.0000    0.0000      0.0000         0.0138    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2015   -0.1801    0.9728)
 a2 = (    0.9495    0.2693   -0.1288)
 a3 = (   -0.2355    0.9402    0.2259)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1834   -0.1866    0.9655) (    0.0046    0.0046    0.0012)
 a2 = (    0.9542    0.2711   -0.1289) (    0.0018    0.0056    0.0043)
 a3 = (   -0.2374    0.9437    0.2275) (    0.0066    0.0132    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.6024   76.8433 -165.8798    0.2576    0.2617    0.3306
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0035      0.0021    0.0021    0.0120

# Number of computed bands
            400            157
# Figure of merit at the beginning and the end of the refinement
         7.7835        38.0592
# Chi-squares at the beginning and the end of the refinement
    0.5563    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    1    3   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    1    0   -3   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4    1    1    2   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0    0    1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1    1   -2   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7    1    0    3    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    0   -1    3    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    1    2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    3    0   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    0   -3    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1   -3    2    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15    1    2    1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -2    1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    1   -1    1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    0   -3   -1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    1   -3    0    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    0    1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1   -2   -1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    1   -1   -2    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2    0    1    3   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    1    0   -3   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    1    1    2   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0    0    1    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    1    1   -2   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7    1    0    3    0.1198   -0.5975    0.1201   -0.5972    0.0004    1
    8    0   -1    3    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1    2   -1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10    0   -1    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11    1   -1    2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    1    3    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    0   -3    1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    1   -3    2    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15    1    2    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -1    0    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    1   -2    1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18    1   -1    1    1.0605   -0.5115    1.0655   -0.4953    0.0170    1
   19    0   -3   -1    0.0422    0.0275    0.0407    0.0272    0.0014    1
   20    1   -3    0    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    0    1    1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -2   -1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23    1   -1   -2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.5                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9990    1.0034    0.9976   90.1487   90.0532   90.0410      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9989    0.9989    1.0023   90.0000   90.0000   90.0000      0.0000         0.9966    0.9966
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0131    0.0000    0.0000    0.0000      0.0000         0.0130    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9551   -0.2709    0.1279)
 a2 = (   -0.1815    0.1828   -0.9628)
 a3 = (    0.2372   -0.9470   -0.2272)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9549   -0.2718    0.1287) (    0.0018    0.0055    0.0043)
 a2 = (   -0.1835    0.1871   -0.9662) (    0.0046    0.0046    0.0012)
 a3 = (    0.2375   -0.9420   -0.2275) (    0.0066    0.0123    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.4154  103.1807   14.1522    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
            159            151
# Figure of merit at the beginning and the end of the refinement
        31.8190        37.7037
# Chi-squares at the beginning and the end of the refinement
    0.0480    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2   -1    0   -3   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    0   -1    3   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4   -1   -1   -2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1    2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    0   -1   -3    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8    1    0   -3    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9   -2   -1    1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10    1    0   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1   -1   -2    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12   -3   -1    0   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13    3    0   -1    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    3   -1   -2    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15   -2   -1   -1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    1    0    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    2   -1   -1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18    1   -1   -1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19    3    0    1    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    3   -1    0    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21   -1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1    1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    1   -1    2    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2   -1    0   -3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -1    3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1   -1   -2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1   -1    2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7    0   -1   -3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8    1    0   -3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9   -2   -1    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1    0   -1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11    1   -1   -2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12   -3   -1    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13    3    0   -1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14    3   -1   -2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -2   -1   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    1    0    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17    2   -1   -1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18    1   -1   -1    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19    3    0    1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20    3   -1    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21   -1    0   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    2   -1    1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23    1   -1    2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.6                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9973    1.0021    1.0007   89.9453   89.8382   89.5045      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9989    0.9989    1.0023   90.0000   90.0000   90.0000      0.0000         0.9966    0.9966
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0131    0.0000    0.0000    0.0000      0.0000         0.0130    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1736    0.1863   -0.9699)
 a2 = (   -0.9522   -0.2701    0.1275)
 a3 = (   -0.2365    0.9441    0.2265)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1835    0.1871   -0.9662) (    0.0046    0.0046    0.0012)
 a2 = (   -0.9549   -0.2718    0.1287) (    0.0018    0.0055    0.0043)
 a3 = (   -0.2375    0.9420    0.2275) (    0.0066    0.0123    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -82.4154   76.8193 -165.8478    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
            163            151
# Figure of merit at the beginning and the end of the refinement
        22.0792        37.7037
# Chi-squares at the beginning and the end of the refinement
    0.1863    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2    0   -1    3   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3   -1    0   -3   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4   -1   -1    2   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1   -2   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7   -1    0    3    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    0    1    3    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9   -1   -2   -1   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    0    1    1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -1    1    2    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12   -1   -3    0   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    0    3    1    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -1    3    2    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15   -1   -2    1   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1    2    1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -1    1    1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    0    3   -1    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -1    3    0    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    2   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    1   -2    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2    0   -1    3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -1    0   -3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1   -1    2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1   -1   -2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7   -1    0    3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8    0    1    3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9   -1   -2   -1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    0    1    1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11   -1    1    2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12   -1   -3    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13    0    3    1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14   -1    3    2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -1   -2    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    1    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17   -1    2    1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18   -1    1    1    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19    0    3   -1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20   -1    3    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21    0   -1    1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1    2   -1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23   -1    1   -2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.7                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9991    1.0017    0.9992   89.9283   89.9708   89.9127      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9989    0.9989    1.0023   90.0000   90.0000   90.0000      0.0000         0.9966    0.9966
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0131    0.0000    0.0000    0.0000      0.0000         0.0130    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9548    0.2708   -0.1296)
 a2 = (    0.1816   -0.1848    0.9640)
 a3 = (    0.2368   -0.9455   -0.2272)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9549    0.2718   -0.1287) (    0.0018    0.0055    0.0043)
 a2 = (    0.1835   -0.1871    0.9662) (    0.0046    0.0046    0.0012)
 a3 = (    0.2375   -0.9420   -0.2275) (    0.0066    0.0123    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5846  103.1807   14.1522    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
            169            153
# Figure of merit at the beginning and the end of the refinement
        36.0958        37.4564
# Chi-squares at the beginning and the end of the refinement
    0.0355    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7301   -0.0553   -0.7289   -0.0565    0.0017    1
    2    1    0   -3   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    0    1    3   -0.0254    0.0860   -0.0241    0.0824    0.0038    1
    4    1    1   -2   -0.1965   -0.5860   -0.1976   -0.5890    0.0032    1
    5    0    0   -1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1    1    2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    0    1   -3    0.1190   -0.5968    0.1201   -0.5972    0.0011    1
    8   -1    0   -3    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    2    1    1   -0.1929    0.0488   -0.1940    0.0483    0.0013    1
   10   -1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1   -2    0.5339   -0.6146    0.5314   -0.6143    0.0025    1
   12    3    1    0   -0.1812   -0.0373   -0.1815   -0.0378    0.0006    1
   13   -3    0   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3    1   -2    0.5300   -0.1501    0.5323   -0.1459    0.0047    1
   15    2    1   -1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1   -1    0.7291   -0.0813    0.7260   -0.0804    0.0032    1
   18   -1    1   -1    1.0586   -0.5134    1.0655   -0.4953    0.0194    1
   19   -3    0    1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -3    1    0    0.4430    0.1647    0.4436    0.1639    0.0010    1
   21    1    0   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -2    1    1    0.2959    0.3318    0.2970    0.3320    0.0011    1
   23   -1    1    2    0.0342    0.2681    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2    1    0   -3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    1    3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1    1   -2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    1    1    2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7    0    1   -3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1    0   -3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9    2    1    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10   -1    0   -1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11   -1    1   -2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12    3    1    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13   -3    0   -1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14   -3    1   -2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    2    1   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16   -1    0    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17   -2    1   -1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18   -1    1   -1    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19   -3    0    1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20   -3    1    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21    1    0   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -2    1    1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23   -1    1    2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.10                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0048    1.0048    0.9906   90.1692   90.9941   90.0261      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9993    0.9993    1.0014   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0374    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9495    0.2693   -0.1288)
 a2 = (   -0.2355    0.9402    0.2259)
 a3 = (    0.2015   -0.1801    0.9728)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9545    0.2718   -0.1283) (    0.0019    0.0056    0.0052)
 a2 = (   -0.2384    0.9448    0.2278) (    0.0054    0.0019    0.0063)
 a3 = (    0.1826   -0.1864    0.9639) (    0.0119    0.0114    0.0345)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -29.3813   15.1464   44.4197    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            400            157
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.2199
# Chi-squares at the beginning and the end of the refinement
    0.0853    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    3    0   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    0   -3    1   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4    1    2    1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0    1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1   -2    1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7    0    3    1    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8   -1    3    0    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    2   -1    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    2    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    3    0    1   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13   -3    1    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3    2    1    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15    2    1    1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1    1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18   -1    1    1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19   -3   -1    0    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -3    0    1    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    1    1    0   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -2   -1    1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23   -1   -2    1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    1    3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -3    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1    2    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    1    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1   -2    1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0    3    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -1    3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    2   -1    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1    2    1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    3    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -3    1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -3    2    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    2    1    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16   -1    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -2    1    1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -1    1    1    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -3   -1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -3    0    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    1    1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -2   -1    1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1   -2    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.11                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9997    0.9999    1.0004   89.8894   89.5783   89.9718      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9993    0.9993    1.0014   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0374    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9542   -0.2707    0.1298)
 a2 = (   -0.2367    0.9448    0.2267)
 a3 = (   -0.1764    0.1857   -0.9663)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9545   -0.2718    0.1283) (    0.0019    0.0056    0.0052)
 a2 = (   -0.2384    0.9448    0.2278) (    0.0054    0.0019    0.0063)
 a3 = (   -0.1826    0.1864   -0.9639) (    0.0119    0.0114    0.0345)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3813  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            169            157
# Figure of merit at the beginning and the end of the refinement
        32.1012        37.2199
# Chi-squares at the beginning and the end of the refinement
    0.0317    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7358   -0.0553   -0.7289   -0.0565    0.0070    1
    2   -1    3    0   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    0   -3   -1   -0.0256    0.0872   -0.0241    0.0824    0.0051    1
    4   -1    2   -1   -0.1957   -0.5881   -0.1976   -0.5890    0.0021    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -2   -1   -0.1054    0.1186   -0.1046    0.1173    0.0015    1
    7    0    3   -1    0.1203   -0.5973    0.1201   -0.5972    0.0003    1
    8    1    3    0    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -2   -1   -1   -0.1943    0.0493   -0.1940    0.0483    0.0010    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2   -1    0.5356   -0.6136    0.5314   -0.6143    0.0042    1
   12   -3    0   -1   -0.1821   -0.0375   -0.1815   -0.0378    0.0006    1
   13    3    1    0    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    3    2   -1    0.5303   -0.1497    0.5323   -0.1459    0.0043    1
   15   -2    1   -1   -0.3378   -0.2377   -0.3358   -0.2354    0.0031    1
   16    1    0    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    2    1   -1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1    1   -1    1.0584   -0.5097    1.0655   -0.4953    0.0161    1
   19    3   -1    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    3    0   -1    0.4435    0.1647    0.4436    0.1639    0.0009    1
   21   -1    1    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    2   -1   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -2   -1    0.0350    0.2694    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -1    3    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -3   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    2   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    1    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1   -2   -1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    0    3   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    1    3    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -2   -1   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1    2   -1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -3    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    3    1    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    3    2   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -2    1   -1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    1    0    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    2    1   -1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    1    1   -1    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    3   -1    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    3    0   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1    1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    2   -1   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1   -2   -1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.12                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9906    1.0048    1.0048   90.0261   90.9941   90.1692      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0005    1.0005    0.9989   90.0000   90.0000   90.0000      0.0000         1.0016    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0147    0.0000    0.0000    0.0000      0.0000         0.0147    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2015    0.1801   -0.9728)
 a2 = (    0.2355   -0.9402   -0.2259)
 a3 = (   -0.9495   -0.2693    0.1288)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1831    0.1863   -0.9647) (    0.0047    0.0047    0.0013)
 a2 = (    0.2374   -0.9439   -0.2273) (    0.0055    0.0017    0.0046)
 a3 = (   -0.9550   -0.2712    0.1288) (    0.0145    0.0064    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2587   82.6050  -74.1441    0.2728    0.2530    0.3406
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0022      0.0021    0.0020    0.0139

# Number of computed bands
            400            169
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.0959
# Chi-squares at the beginning and the end of the refinement
    0.5568    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3   -1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -1    3    0   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -1   -2   -1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0   -1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1    2   -1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7   -1   -3    0    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    0   -3    1    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -1    1   -2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1    0   -3   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    0   -1    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -2    3    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -1   -1   -2   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    2    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18   -1   -1    1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    0    1    3    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1    0    3    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    0   -1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    1    2    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23   -1    2    1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7284   -0.0548   -0.7289   -0.0565    0.0018    1
    2    0   -3   -1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -1    3    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4   -1   -2   -1   -0.1967   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0   -1    0    0.0573   -0.2264    0.0566   -0.2258    0.0010    1
    6   -1    2   -1   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -1   -3    0    0.1199   -0.5977    0.1201   -0.5972    0.0005    1
    8    0   -3    1    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9   -1    1   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    0   -1    1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1   -2    1    0.5354   -0.6142    0.5314   -0.6143    0.0040    1
   12   -1    0   -3   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13    0   -1    3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -1   -2    3    0.5294   -0.1492    0.5323   -0.1459    0.0043    1
   15   -1   -1   -2   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16    0    0    1    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1   -1    2    0.7281   -0.0801    0.7260   -0.0804    0.0021    1
   18   -1   -1    1    1.0602   -0.5111    1.0655   -0.4953    0.0167    1
   19    0    1    3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20   -1    0    3    0.4418    0.1641    0.4436    0.1639    0.0018    1
   21    0   -1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1    1    2    0.2953    0.3306    0.2970    0.3320    0.0022    1
   23   -1    2    1    0.0343    0.2671    0.0342    0.2676    0.0006    1

###            No.13                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9992    1.0018    0.9990   89.9956   89.9726   89.8431      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0014    1.0014    0.9972   90.0000   90.0000   90.0000      0.0000         1.0042    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0140    0.0000    0.0000    0.0000      0.0000         0.0141    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2368    0.9455    0.2269)
 a2 = (   -0.1829    0.1827   -0.9642)
 a3 = (   -0.9549   -0.2708    0.1299)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2377    0.9429    0.2272) (    0.0054    0.0017    0.0046)
 a2 = (   -0.1826    0.1863   -0.9640) (    0.0046    0.0047    0.0012)
 a3 = (   -0.9565   -0.2721    0.1286) (    0.0139    0.0061    0.0044)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  166.7365   82.6336  -74.1191    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
            161            162
# Figure of merit at the beginning and the end of the refinement
        34.2913        37.0665
# Chi-squares at the beginning and the end of the refinement
    0.0314    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    0   -1   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -3   -1    0   -0.0256    0.0864   -0.0241    0.0824    0.0042    1
    4    2   -1   -1   -0.1963   -0.5849   -0.1976   -0.5890    0.0043    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -1   -1   -0.1049    0.1173   -0.1046    0.1173    0.0003    1
    7    3   -1    0    0.1185   -0.5962    0.1201   -0.5972    0.0018    1
    8    3    0    1    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -1   -2   -0.1928    0.0485   -0.1940    0.0483    0.0013    1
   10    1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1    1    0.5329   -0.6149    0.5314   -0.6143    0.0016    1
   12    0   -1   -3   -0.1808   -0.0374   -0.1815   -0.0378    0.0008    1
   13    1    0    3    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    2   -1    3    0.5301   -0.1505    0.5323   -0.1459    0.0051    1
   15    1   -1   -2   -0.3359   -0.2361   -0.3358   -0.2354    0.0007    1
   16    0    0    1    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    1   -1    2    0.7295   -0.0822    0.7260   -0.0804    0.0039    1
   18    1   -1    1    1.0577   -0.5159    1.0655   -0.4953    0.0220    1
   19   -1    0    3    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    0   -1    3    0.4437    0.1647    0.4436    0.1639    0.0008    1
   21    1    0   -1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22   -1   -1    2    0.2966    0.3324    0.2970    0.3320    0.0005    1
   23   -2   -1    1    0.0342    0.2687    0.0342    0.2676    0.0011    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2    3    0   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -3   -1    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    2   -1   -1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5    1    0    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6   -2   -1   -1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7    3   -1    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    3    0    1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9   -1   -1   -2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1    0    1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11    2   -1    1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12    0   -1   -3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    1    0    3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14    2   -1    3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    1   -1   -2   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0    1    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17    1   -1    2    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18    1   -1    1    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19   -1    0    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0   -1    3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21    1    0   -1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22   -1   -1    2    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23   -2   -1    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.15                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9976    1.0034    0.9990   90.0410   90.0532   90.1487      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0014    1.0014    0.9972   90.0000   90.0000   90.0000      0.0000         1.0042    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0140    0.0000    0.0000    0.0000      0.0000         0.0141    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2372    0.9470    0.2272)
 a2 = (    0.1815   -0.1828    0.9628)
 a3 = (    0.9551    0.2709   -0.1279)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2377    0.9429    0.2272) (    0.0054    0.0017    0.0046)
 a2 = (    0.1826   -0.1863    0.9640) (    0.0046    0.0047    0.0012)
 a3 = (    0.9565    0.2721   -0.1286) (    0.0139    0.0061    0.0044)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2635   97.3664  105.8809    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
            159            163
# Figure of merit at the beginning and the end of the refinement
        31.8190        36.9526
# Chi-squares at the beginning and the end of the refinement
    0.0280    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    3    0    1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3   -3    1    0   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4    2    1    1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    1    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    3    1    0    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8    3    0   -1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9   -1    1    2   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10    1    0   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    2    1   -1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    0    1    3   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13    1    0   -3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    2    1   -3    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15    1    1    2   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    0    0   -1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1    1   -2    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18    1    1   -1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19   -1    0   -3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    0    1   -3    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21    1    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1   -2    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23   -2    1   -1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2    3    0    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -3    1    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    2    1    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5    1    0    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6   -2    1    1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7    3    1    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    3    0   -1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9   -1    1    2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1    0   -1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11    2    1   -1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12    0    1    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    1    0   -3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14    2    1   -3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    1    1    2   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0   -1    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17    1    1   -2    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18    1    1   -1    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19   -1    0   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    1   -3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21    1    0    1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22   -1    1   -2    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23   -2    1   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.16                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9855    1.0013    1.0141   91.9005   90.4410   90.8349      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9986    0.9986    1.0029   90.0000   90.0000   90.0000      0.0000         0.9957    0.9957
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0408    0.0000    0.0000    0.0000      0.0000         0.0405    0.0405
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2550    0.9544    0.2323)
 a2 = (   -0.9533   -0.2704    0.1294)
 a3 = (    0.1480   -0.1850    0.9578)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2380    0.9458    0.2274) (    0.0055    0.0020    0.0068)
 a2 = (   -0.9554   -0.2713    0.1286) (    0.0020    0.0058    0.0055)
 a3 = (    0.1823   -0.1855    0.9626) (    0.0131    0.0123    0.0375)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.5042   15.1198   44.4903    0.9571    0.4508    1.0577
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0009      0.0022    0.0022    0.0400

# Number of computed bands
            400            171
# Figure of merit at the beginning and the end of the refinement
         5.4027        36.8658
# Chi-squares at the beginning and the end of the refinement
    0.2774    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3   -1    0   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -3    0    1   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    2   -1    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1    0    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -2   -1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    3    0    1    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    3    1    0    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9   -1   -2    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    0   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    0    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    2    3    1    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    1   -2    1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    2    1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    1    1    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -1    3    0    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    0    3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1   -1    0   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22   -1    2    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -2    1    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7293   -0.0553   -0.7289   -0.0565    0.0013    1
    2    3   -1    0   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    0    1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    2   -1    1   -0.1960   -0.5869   -0.1976   -0.5890    0.0026    1
    5    1    0    0    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6   -2   -1    1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    3    0    1    0.1200   -0.5971    0.1201   -0.5972    0.0001    1
    8    3    1    0    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -2    1   -0.1926    0.0485   -0.1940    0.0483    0.0015    1
   10    1    1    0    0.2266   -0.1282    0.2267   -0.1283    0.0002    1
   11    2    1    1    0.5344   -0.6138    0.5314   -0.6143    0.0030    1
   12    0   -3    1   -0.1813   -0.0377   -0.1815   -0.0378    0.0003    1
   13    1    3    0    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    2    3    1    0.5294   -0.1497    0.5323   -0.1459    0.0047    1
   15    1   -2    1   -0.3367   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0    1    0    0.1251    0.0351    0.1256    0.0356    0.0007    1
   17    1    2    1    0.7281   -0.0809    0.7260   -0.0804    0.0021    1
   18    1    1    1    1.0583   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1    3    0    0.0420    0.0276    0.0407    0.0272    0.0014    1
   20    0    3    1    0.4420    0.1642    0.4436    0.1639    0.0016    1
   21    1   -1    0   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22   -1    2    1    0.2951    0.3307    0.2970    0.3320    0.0023    1
   23   -2    1    1    0.0342    0.2667    0.0342    0.2676    0.0009    1

###            No.19                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9973    1.0007    1.0021   89.9453   89.5045   89.8382      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0014    1.0014    0.9972   90.0000   90.0000   90.0000      0.0000         1.0042    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0140    0.0000    0.0000    0.0000      0.0000         0.0141    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1736   -0.1863    0.9699)
 a2 = (    0.2365   -0.9441   -0.2265)
 a3 = (    0.9522    0.2701   -0.1275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1826   -0.1863    0.9640) (    0.0046    0.0047    0.0012)
 a2 = (    0.2377   -0.9429   -0.2272) (    0.0054    0.0017    0.0046)
 a3 = (    0.9565    0.2721   -0.1286) (    0.0139    0.0061    0.0044)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2635   97.3664  105.8809    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
            163            165
# Figure of merit at the beginning and the end of the refinement
        22.0792        36.7279
# Chi-squares at the beginning and the end of the refinement
    0.1937    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2    0   -3    1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1    3    0   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4    1   -2    1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2    1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7    1   -3    0    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    0   -3   -1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1    1    2   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    0   -1   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1   -2   -1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    1    0    3   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    0   -1   -3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    1   -2   -3    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15    1   -1    2   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    0   -1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1   -1   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1   -1   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    0    1   -3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    1    0   -3    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    2   -1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2    0   -3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1    3    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    1   -2    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -1    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6    1    2    1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7    1   -3    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0   -3   -1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9    1    1    2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    0   -1   -1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -2   -1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12    1    0    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0   -1   -3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14    1   -2   -3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    1   -1    2   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0   -1    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17    1   -1   -2    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18    1   -1   -1    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19    0    1   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    0   -3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21    0   -1    1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1    1   -2    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23    1    2   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.20                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0007    1.0021    0.9973   89.5045   89.8382   89.9453      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9993    0.9993    1.0014   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0374    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2365   -0.9441   -0.2265)
 a2 = (    0.9522    0.2701   -0.1275)
 a3 = (    0.1736   -0.1863    0.9699)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2384   -0.9448   -0.2278) (    0.0054    0.0019    0.0063)
 a2 = (    0.9545    0.2718   -0.1283) (    0.0019    0.0056    0.0052)
 a3 = (    0.1826   -0.1864    0.9639) (    0.0119    0.0114    0.0345)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -119.3813   15.1464   44.4197    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            163            164
# Figure of merit at the beginning and the end of the refinement
        22.0792        36.4169
# Chi-squares at the beginning and the end of the refinement
    0.0438    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2   -3    1    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    3    0    1   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4   -2    1    1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2    1    1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7   -3    0    1    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8   -3   -1    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1    2    1   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10   -1   -1    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -2   -1    1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    0    3    1   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13   -1   -3    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -2   -3    1    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15   -1    2    1   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0   -1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1   -2    1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -1   -1    1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    1   -3    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    0   -3    1    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -2    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    2   -1    1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -3    1    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    3    0    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -2    1    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5   -1    0    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    2    1    1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -3    0    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -3   -1    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1    2    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1   -1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -2   -1    1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    0    3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -1   -3    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -2   -3    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1    2    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0   -1    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1   -2    1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -1   -1    1    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    1   -3    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    0   -3    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1    1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -2    1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    2   -1    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.23                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9976    0.9990    1.0034   90.0410   90.1487   90.0532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9993    0.9993    1.0014   90.0000   90.0000   90.0000      0.0000         0.9979    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0374    0.0000    0.0000    0.0000      0.0000         0.0372    0.0372
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2372   -0.9470   -0.2272)
 a2 = (   -0.9551   -0.2709    0.1279)
 a3 = (   -0.1815    0.1828   -0.9628)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2384   -0.9448   -0.2278) (    0.0054    0.0019    0.0063)
 a2 = (   -0.9545   -0.2718    0.1283) (    0.0019    0.0056    0.0052)
 a3 = (   -0.1826    0.1864   -0.9639) (    0.0119    0.0114    0.0345)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.6187  164.8536 -135.5803    0.9337    0.4129    1.0432
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0022    0.0022    0.0376

# Number of computed bands
            159            169
# Figure of merit at the beginning and the end of the refinement
        31.8190        35.8742
# Chi-squares at the beginning and the end of the refinement
    0.0265    0.0202
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2   -3   -1    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    3    0   -1   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4   -2   -1   -1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    0   -1    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8   -3    1    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1   -2   -1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10   -1    1    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -2    1   -1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    0   -3   -1   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -1    3    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -2    3   -1    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15   -1   -2   -1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    0    1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1    2   -1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18   -1    1   -1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19    1    3    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    0    3   -1    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    2    1   -1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -3   -1    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    3    0   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -2   -1   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5   -1    0    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    2   -1   -1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -3    0   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -3    1    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1   -2   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -2    1   -1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    0   -3   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -1    3    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -2    3   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -2   -1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    1    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1    2   -1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -1    1   -1    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    1    3    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    0    3   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    2   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    2    1   -1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.25                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1121    1.1473    0.7842   89.8670   89.9136   88.0838      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1221    1.1221    0.7942   90.0000   90.0000   90.0000      0.0000         1.4129    1.4129
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0110    0.0000    0.0000    0.0000      0.0000         0.0195    0.0195
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5132    0.2902   -0.6796)
 a2 = (   -0.7019   -0.0544   -0.5147)
 a3 = (   -0.3018    1.2048    0.2891)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4856    0.2883   -0.6894) (    0.0038    0.0040    0.0025)
 a2 = (   -0.7166   -0.0532   -0.5270) (    0.0023    0.0051    0.0032)
 a3 = (   -0.2991    1.1890    0.2866) (    0.0083    0.0166    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -127.3976   76.8433 -165.8798    0.2576    0.2617    0.3306
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0035      0.0021    0.0021    0.0120

# Number of computed bands
            400            180
# Figure of merit at the beginning and the end of the refinement
         5.3861        35.5446
# Chi-squares at the beginning and the end of the refinement
    1.6062    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -1    3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -1   -1   -3   -0.0223    0.0786   -0.0241    0.0824    0.0042    1
    4    0   -1    1   -0.1842   -0.5798   -0.1976   -0.5890    0.0162    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1   -1   -0.0971    0.1113   -0.1046    0.1173    0.0096    1
    7   -1   -1    3    0.1239   -0.5839    0.1201   -0.5972    0.0138    1
    8   -1    1    3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    1   -3   -1   -0.1848    0.0475   -0.1940    0.0483    0.0093    1
   10   -1    1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -1    0    1    0.5261   -0.5904    0.5314   -0.6143    0.0245    1
   12    1   -2    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -3    3    1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -2    1    1    0.5176   -0.1453    0.5323   -0.1459    0.0147    1
   15    1   -3    1   -0.3292   -0.2356   -0.3358   -0.2354    0.0066    1
   16   -1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3    1    1    0.7044   -0.0775    0.7260   -0.0804    0.0218    1
   18   -2    0    1    1.0164   -0.4778    1.0655   -0.4953    0.0521    0
   19   -3    3   -1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -2    1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -3    1   -1    0.2886    0.3169    0.2970    0.3320    0.0172    1
   23   -1    0   -1    0.0362    0.2561    0.0342    0.2676    0.0118    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2    1   -1    3   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -1   -1   -3   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    0   -1    1   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0    0    1    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    0   -1   -1   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -1   -1    3    0.1198   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1    1    3    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1   -3   -1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10   -1    1    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1    0    1    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    1   -2    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -3    3    1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -2    1    1    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15    1   -3    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16   -1    1    0    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -3    1    1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18   -2    0    1    1.0605   -0.5115    1.0655   -0.4953    0.0170    1
   19   -3    3   -1    0.0422    0.0275    0.0407    0.0272    0.0014    1
   20   -2    1    0    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    1   -1    1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -3    1   -1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23   -1    0   -1    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.27                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1018    1.1365    0.7994   90.9654   91.3566   91.8923      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1216    1.1216    0.7950   90.0000   90.0000   90.0000      0.0000         1.4109    1.4109
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0131    0.0000    0.0000    0.0000      0.0000         0.0232    0.0232
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5182    0.2930   -0.6861)
 a2 = (    0.7087    0.0549    0.5197)
 a3 = (    0.3312   -1.1715   -0.2904)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4856    0.2888   -0.6897) (    0.0039    0.0047    0.0026)
 a2 = (    0.7171    0.0533    0.5272) (    0.0024    0.0053    0.0033)
 a3 = (    0.2991   -1.1877   -0.2868) (    0.0087    0.0203    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -52.6084  103.1776   14.1337    0.2673    0.2903    0.3678
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0030      0.0021    0.0021    0.0132

# Number of computed bands
            400            179
# Figure of merit at the beginning and the end of the refinement
         4.1122        35.0252
# Chi-squares at the beginning and the end of the refinement
    1.7888    0.0106
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    1   -3   -0.0110   -0.1818   -0.0133   -0.1793    0.0034    1
    3   -1    1    3   -0.0256    0.0811   -0.0241    0.0824    0.0020    1
    4    0    1   -1   -0.1857   -0.6034   -0.1976   -0.5890    0.0187    1
    5    0    0   -1    0.0649   -0.2295    0.0566   -0.2258    0.0092    1
    6    0    1    1   -0.1024    0.1100   -0.1046    0.1173    0.0077    1
    7   -1    1   -3    0.1466   -0.5980    0.1201   -0.5972    0.0265    0
    8   -1   -1   -3    0.1541   -0.2197    0.1441   -0.2219    0.0102    1
    9    1    3    1   -0.1851    0.0444   -0.1940    0.0483    0.0098    1
   10   -1   -1   -1    0.2292   -0.1212    0.2267   -0.1283    0.0076    1
   11   -1    0   -1    0.5555   -0.5745    0.5314   -0.6143    0.0465    0
   12    1    2    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -3   -3   -1    0.1967   -0.0063    0.1981   -0.0091    0.0032    1
   14   -2   -1   -1    0.5168   -0.1320    0.5323   -0.1459    0.0208    1
   15    1    3   -1   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16   -1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1   -1    0.6992   -0.0640    0.7260   -0.0804    0.0314    0
   18   -2    0   -1    1.0275   -0.4399    1.0655   -0.4953    0.0671    0
   19   -3   -3    1    0.0434    0.0287    0.0407    0.0272    0.0031    1
   20   -2   -1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3   -1    1    0.2953    0.3219    0.2970    0.3320    0.0103    1
   23   -1    0    1    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7285   -0.0547   -0.7289   -0.0565    0.0019    1
    2    1    1   -3   -0.0134   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    1    3   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    0    1   -1   -0.1973   -0.5878   -0.1976   -0.5890    0.0012    1
    5    0    0   -1    0.0575   -0.2269    0.0566   -0.2258    0.0014    1
    6    0    1    1   -0.1045    0.1167   -0.1046    0.1173    0.0006    1
    7   -1    1   -3    0.1202   -0.5989    0.1201   -0.5972    0.0017    1
    8   -1   -1   -3    0.1453   -0.2227    0.1441   -0.2219    0.0014    1
    9    1    3    1   -0.1927    0.0481   -0.1940    0.0483    0.0013    1
   10   -1   -1   -1    0.2270   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1    0   -1    0.5370   -0.6152    0.5314   -0.6143    0.0057    1
   12    1    2    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13   -3   -3   -1    0.1978   -0.0086    0.1981   -0.0091    0.0006    1
   14   -2   -1   -1    0.5303   -0.1489    0.5323   -0.1459    0.0036    1
   15    1    3   -1   -0.3369   -0.2366   -0.3358   -0.2354    0.0016    1
   16   -1   -1    0    0.1251    0.0350    0.1256    0.0356    0.0008    1
   17   -3   -1   -1    0.7292   -0.0795    0.7260   -0.0804    0.0033    1
   18   -2    0   -1    1.0631   -0.5109    1.0655   -0.4953    0.0158    1
   19   -3   -3    1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20   -2   -1    0    0.4421    0.1645    0.4436    0.1639    0.0016    1
   21    1    1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -3   -1    1    0.2954    0.3310    0.2970    0.3320    0.0019    1
   23   -1    0    1    0.0343    0.2673    0.0342    0.2676    0.0003    1

###            No.29                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1210    1.1243    0.7934   89.9695   89.9877   89.9799      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1212    1.1212    0.7955   90.0000   90.0000   90.0000      0.0000         1.4094    1.4094
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0104    0.0000    0.0000    0.0000      0.0000         0.0184    0.0184
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7180    0.0557    0.5265)
 a2 = (   -0.4839   -0.2853    0.6896)
 a3 = (    0.2997   -1.1910   -0.2832)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7171    0.0534    0.5276) (    0.0023    0.0051    0.0031)
 a2 = (   -0.4860   -0.2891    0.6897) (    0.0037    0.0038    0.0024)
 a3 = (    0.2993   -1.1868   -0.2866) (    0.0083    0.0155    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   37.4154  103.1807   14.1522    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
            179            178
# Figure of merit at the beginning and the end of the refinement
        23.9063        34.7266
# Chi-squares at the beginning and the end of the refinement
    0.0580    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -1   -3   -0.0135   -0.1744   -0.0133   -0.1793    0.0049    1
    3    1    1    3   -0.0264    0.0885   -0.0241    0.0824    0.0065    1
    4    1    0   -1   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5    0    0   -1    0.0563   -0.2237    0.0566   -0.2258    0.0021    1
    6    1    0    1   -0.1065    0.1188   -0.1046    0.1173    0.0024    1
    7    1    1   -3    0.1182   -0.5943    0.1201   -0.5972    0.0034    1
    8   -1    1   -3    0.1432   -0.2203    0.1441   -0.2219    0.0019    1
    9    3   -1    1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10   -1    1   -1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11    0    1   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    2   -1    0   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13   -3    3   -1    0.1974   -0.0085    0.1981   -0.0091    0.0009    1
   14   -1    2   -1    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15    3   -1   -1   -0.3358   -0.2360   -0.3358   -0.2354    0.0006    1
   16   -1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    3   -1    0.7299   -0.0826    0.7260   -0.0804    0.0045    1
   18    0    2   -1    1.0580   -0.5179    1.0655   -0.4953    0.0239    1
   19   -3    3    1    0.0430    0.0288    0.0407    0.0272    0.0028    1
   20   -1    2    0    0.4445    0.1651    0.4436    0.1639    0.0015    1
   21    1   -1   -1   -0.0343   -0.0582   -0.0357   -0.0605    0.0027    1
   22   -1    3    1    0.2974    0.3343    0.2970    0.3320    0.0023    1
   23    0    1    1    0.0338    0.2710    0.0342    0.2676    0.0034    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2    1   -1   -3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    1    1    3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1    0   -1   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    1    0    1   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7    1    1   -3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1    1   -3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9    3   -1    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10   -1    1   -1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11    0    1   -1    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12    2   -1    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13   -3    3   -1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14   -1    2   -1    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    3   -1   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16   -1    1    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17   -1    3   -1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18    0    2   -1    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19   -3    3    1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20   -1    2    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21    1   -1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1    3    1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23    0    1    1    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.30                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1192    1.1262    0.7934   90.0627   90.2110   90.0907      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1212    1.1212    0.7955   90.0000   90.0000   90.0000      0.0000         1.4094    1.4094
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0104    0.0000    0.0000    0.0000      0.0000         0.0184    0.0184
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7165   -0.0555   -0.5310)
 a2 = (    0.4851    0.2853   -0.6868)
 a3 = (    0.2983   -1.1908   -0.2857)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7171   -0.0534   -0.5276) (    0.0023    0.0051    0.0031)
 a2 = (    0.4860    0.2891   -0.6897) (    0.0037    0.0038    0.0024)
 a3 = (    0.2993   -1.1868   -0.2866) (    0.0083    0.0155    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -142.5846  103.1807   14.1522    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
            179            178
# Figure of merit at the beginning and the end of the refinement
        18.0802        34.7266
# Chi-squares at the beginning and the end of the refinement
    0.0607    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7367   -0.0571   -0.7289   -0.0565    0.0078    1
    2   -1    1   -3   -0.0140   -0.1781   -0.0133   -0.1793    0.0014    1
    3   -1   -1    3   -0.0258    0.0872   -0.0241    0.0824    0.0051    1
    4   -1    0   -1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0    1   -0.1073    0.1201   -0.1046    0.1173    0.0039    1
    7   -1   -1   -3    0.1185   -0.5972    0.1201   -0.5972    0.0016    1
    8    1   -1   -3    0.1431   -0.2206    0.1441   -0.2219    0.0016    1
    9   -3    1    1   -0.1989    0.0501   -0.1940    0.0483    0.0052    1
   10    1   -1   -1    0.2229   -0.1263    0.2267   -0.1283    0.0043    1
   11    0   -1   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -2    1    0   -0.1876   -0.0388   -0.1815   -0.0378    0.0061    1
   13    3   -3   -1    0.1927   -0.0083    0.1981   -0.0091    0.0055    1
   14    1   -2   -1    0.5259   -0.1496    0.5323   -0.1459    0.0074    1
   15   -3    1   -1   -0.3414   -0.2400   -0.3358   -0.2354    0.0072    1
   16    1   -1    0    0.1201    0.0341    0.1256    0.0356    0.0058    1
   17    1   -3   -1    0.7256   -0.0821    0.7260   -0.0804    0.0018    1
   18    0   -2   -1    1.0557   -0.5162    1.0655   -0.4953    0.0231    1
   19    3   -3    1    0.0380    0.0254    0.0407    0.0272    0.0033    1
   20    1   -2    0    0.4391    0.1630    0.4436    0.1639    0.0045    1
   21   -1    1   -1   -0.0371   -0.0629   -0.0357   -0.0605    0.0028    1
   22    1   -3    1    0.2939    0.3297    0.2970    0.3320    0.0038    1
   23    0   -1    1    0.0339    0.2674    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2   -1    1   -3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -1   -1    3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    0   -1   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6   -1    0    1   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7   -1   -1   -3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8    1   -1   -3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9   -3    1    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1   -1   -1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11    0   -1   -1    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12   -2    1    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13    3   -3   -1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14    1   -2   -1    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -3    1   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    1   -1    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17    1   -3   -1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18    0   -2   -1    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19    3   -3    1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20    1   -2    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21   -1    1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    1   -3    1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23    0   -1    1    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.34                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1019    1.1372    0.7989   91.8058   90.6222   91.8953      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1212    1.1212    0.7955   90.0000   90.0000   90.0000      0.0000         1.4094    1.4094
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0104    0.0000    0.0000    0.0000      0.0000         0.0184    0.0184
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5180   -0.2930    0.6859)
 a2 = (   -0.7085   -0.0549   -0.5195)
 a3 = (    0.2579   -1.1899   -0.2936)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4860   -0.2891    0.6897) (    0.0037    0.0038    0.0024)
 a2 = (   -0.7171   -0.0534   -0.5276) (    0.0023    0.0051    0.0031)
 a3 = (    0.2993   -1.1868   -0.2866) (    0.0083    0.0155    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  127.4154  103.1807   14.1522    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
            400            178
# Figure of merit at the beginning and the end of the refinement
         6.2496        34.7266
# Chi-squares at the beginning and the end of the refinement
    1.5848    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -1   -3   -0.0208   -0.1800   -0.0133   -0.1793    0.0076    1
    3    1   -1    3   -0.0203    0.0801   -0.0241    0.0824    0.0045    1
    4    0   -1   -1   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5    0    0   -1    0.0511   -0.2357    0.0566   -0.2258    0.0113    1
    6    0   -1    1   -0.0982    0.1154   -0.1046    0.1173    0.0067    1
    7    1   -1   -3    0.1064   -0.6076    0.1201   -0.5972    0.0173    1
    8    1    1   -3    0.1457   -0.2346    0.1441   -0.2219    0.0128    1
    9   -1   -3    1   -0.1876    0.0473   -0.1940    0.0483    0.0065    1
   10    1    1   -1    0.2345   -0.1330    0.2267   -0.1283    0.0091    1
   11    1    0   -1    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12   -1   -2    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    3    3   -1    0.2011   -0.0075    0.1981   -0.0091    0.0034    1
   14    2    1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1   -3   -1   -0.3310   -0.2286   -0.3358   -0.2354    0.0083    1
   16    1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3    1   -1    0.7194   -0.0731    0.7260   -0.0804    0.0098    1
   18    2    0   -1    1.0569   -0.4933    1.0655   -0.4953    0.0088    1
   19    3    3    1    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    2    1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1   -1   -1   -0.0373   -0.0592   -0.0357   -0.0605    0.0021    1
   22    3    1    1    0.2926    0.3099    0.2970    0.3320    0.0225    0
   23    1    0    1    0.0450    0.2567    0.0342    0.2676    0.0154    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2   -1   -1   -3   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3    1   -1    3   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    0   -1   -1   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    0   -1    1   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7    1   -1   -3    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8    1    1   -3    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9   -1   -3    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1    1   -1    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11    1    0   -1    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12   -1   -2    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13    3    3   -1    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14    2    1   -1    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -1   -3   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    1    1    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17    3    1   -1    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18    2    0   -1    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19    3    3    1    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20    2    1    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21   -1   -1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    3    1    1    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23    1    0    1    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.43                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1220    1.1270    0.7909   90.0559   90.0116   90.0760      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1240    1.1240    0.7915   90.0000   90.0000   90.0000      0.0000         1.4201    1.4201
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0111    0.0000    0.0000    0.0000      0.0000         0.0199    0.0199
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0343   -0.4794   -0.7506)
 a2 = (   -0.2631    0.7080   -0.4657)
 a3 = (    1.2062    0.3421   -0.1637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0347   -0.4767   -0.7504) (    0.0038    0.0034    0.0022)
 a2 = (   -0.2648    0.7113   -0.4641) (    0.0051    0.0028    0.0036)
 a3 = (    1.2052    0.3429   -0.1620) (    0.0175    0.0077    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -121.7365   97.3664  105.8809    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
            299            293
# Figure of merit at the beginning and the end of the refinement
        24.5622        27.5616
# Chi-squares at the beginning and the end of the refinement
    0.0326    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7289   -0.0577   -0.7289   -0.0565    0.0012    1
    2   -3    3    1   -0.0141   -0.1759   -0.0133   -0.1793    0.0036    1
    3    1   -2    0   -0.0259    0.0877   -0.0241    0.0824    0.0056    1
    4   -3    1    1   -0.1976   -0.5853   -0.1976   -0.5890    0.0037    1
    5   -1    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -3    1   -0.1061    0.1182   -0.1046    0.1173    0.0018    1
    7   -2    1    0    0.1189   -0.5976    0.1201   -0.5972    0.0012    1
    8   -3    3   -1    0.1447   -0.2220    0.1441   -0.2219    0.0006    1
    9    0   -1    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10   -1    1   -1    0.2267   -0.1274    0.2267   -0.1283    0.0009    1
   11   -3    1   -1    0.5353   -0.6142    0.5314   -0.6143    0.0038    1
   12   -1   -1    3   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13   -1    1   -3    0.1978   -0.0081    0.1981   -0.0091    0.0010    1
   14   -3    1   -3    0.5296   -0.1489    0.5323   -0.1459    0.0039    1
   15   -1    0    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    0   -1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2    0   -1    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    1   -1   -3    0.0430    0.0286    0.0407    0.0272    0.0026    1
   20   -1   -1   -3    0.4429    0.1640    0.4436    0.1639    0.0006    1
   21   -1    1    1   -0.0348   -0.0586   -0.0357   -0.0605    0.0021    1
   22    0   -1   -1    0.2979    0.3317    0.2970    0.3320    0.0010    1
   23    1   -3   -1    0.0351    0.2705    0.0342    0.2676    0.0030    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2   -3    3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1   -2    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4   -3    1    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5   -1    1    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6    1   -3    1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7   -2    1    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -3    3   -1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9    0   -1    1   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1    1   -1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11   -3    1   -1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12   -1   -1    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -1    1   -3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3    1   -3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15   -1    0    1   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0   -1    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17   -1    0   -1    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18   -2    0   -1    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19    1   -1   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1   -1   -3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21   -1    1    1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    0   -1   -1    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23    1   -3   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.45                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1193    1.1243    0.7947   90.5300   90.5717   90.0760      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1240    1.1240    0.7915   90.0000   90.0000   90.0000      0.0000         1.4201    1.4201
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0111    0.0000    0.0000    0.0000      0.0000         0.0199    0.0199
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0257    0.4831    0.7512)
 a2 = (    0.2724   -0.7072    0.4656)
 a3 = (    1.2004    0.3405   -0.1629)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0347    0.4767    0.7504) (    0.0038    0.0034    0.0022)
 a2 = (    0.2648   -0.7113    0.4641) (    0.0051    0.0028    0.0036)
 a3 = (    1.2052    0.3429   -0.1620) (    0.0175    0.0077    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   58.2635   97.3664  105.8809    0.2712    0.2455    0.3374
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0014      0.0021    0.0020    0.0137

# Number of computed bands
            291            301
# Figure of merit at the beginning and the end of the refinement
        14.0294        27.1929
# Chi-squares at the beginning and the end of the refinement
    0.3997    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7236   -0.0582   -0.7289   -0.0565    0.0056    1
    2    3   -3    1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -1    2    0   -0.0262    0.0870   -0.0241    0.0824    0.0050    1
    4    3   -1    1   -0.1987   -0.5831   -0.1976   -0.5890    0.0059    1
    5    1   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    3    1   -0.1060    0.1175   -0.1046    0.1173    0.0014    1
    7    2   -1    0    0.1156   -0.5972    0.1201   -0.5972    0.0045    1
    8    3   -3   -1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    0    1    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10    1   -1   -1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    3   -1   -1    0.5305   -0.6215    0.5314   -0.6143    0.0073    1
   12    1    1    3   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13    1   -1   -3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    3   -1   -3    0.5323   -0.1529    0.5323   -0.1459    0.0070    1
   15    1    0    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    0   -1    0.7356   -0.0855    0.7260   -0.0804    0.0109    1
   18    2    0   -1    1.0644   -0.5319    1.0655   -0.4953    0.0367    1
   19   -1    1   -3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    1    1   -3    0.4468    0.1659    0.4436    0.1639    0.0038    1
   21    1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    0    1   -1    0.2977    0.3361    0.2970    0.3320    0.0042    1
   23   -1    3   -1    0.0328    0.2705    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7277   -0.0553   -0.7289   -0.0565    0.0017    1
    2    3   -3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -1    2    0   -0.0251    0.0855   -0.0241    0.0824    0.0032    1
    4    3   -1    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0019    1
    5    1   -1    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6   -1    3    1   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7    2   -1    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    3   -3   -1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9    0    1    1   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2266   -0.1275    0.2267   -0.1283    0.0009    1
   11    3   -1   -1    0.5368   -0.6132    0.5314   -0.6143    0.0054    1
   12    1    1    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    1   -1   -3    0.1971   -0.0084    0.1981   -0.0091    0.0012    1
   14    3   -1   -3    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    1    0    1   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0   -1    0.1246    0.0349    0.1256    0.0356    0.0012    1
   17    1    0   -1    0.7268   -0.0788    0.7260   -0.0804    0.0017    1
   18    2    0   -1    1.0600   -0.5079    1.0655   -0.4953    0.0138    1
   19   -1    1   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    1   -3    0.4407    0.1639    0.4436    0.1639    0.0029    1
   21    1   -1    1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    0    1   -1    0.2950    0.3298    0.2970    0.3320    0.0029    1
   23   -1    3   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.46                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8904    0.8926    1.2583   89.8569   89.9013   89.7530      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8899    0.8899    1.2628   90.0000   90.0000   90.0000      0.0000         0.7047    0.7047
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0165    0.0000    0.0000    0.0000      0.0000         0.0092    0.0092
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6154    0.3603   -0.8677)
 a2 = (   -0.9012   -0.0699   -0.6619)
 a3 = (   -0.1881    0.7509    0.1802)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6123    0.3643   -0.8690) (    0.0047    0.0048    0.0030)
 a2 = (   -0.9035   -0.0673   -0.6648) (    0.0029    0.0064    0.0039)
 a3 = (   -0.1885    0.7476    0.1806) (    0.0052    0.0098    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -127.4154   76.8193 -165.8478    0.2536    0.2574    0.3262
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0005    0.0052      0.0021    0.0021    0.0115

# Number of computed bands
            345            343
# Figure of merit at the beginning and the end of the refinement
        24.6477        25.0164
# Chi-squares at the beginning and the end of the refinement
    0.0597    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    1   -1    6   -0.0139   -0.1762   -0.0133   -0.1793    0.0031    1
    3   -1   -1   -6   -0.0254    0.0861   -0.0241    0.0824    0.0039    1
    4    0   -1    2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1   -1    6    0.1191   -0.5956    0.1201   -0.5972    0.0019    1
    8   -1    1    6    0.1442   -0.2222    0.1441   -0.2219    0.0003    1
    9    1   -3   -2   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10   -1    1    2    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11   -1    0    2    0.5327   -0.6132    0.5314   -0.6143    0.0017    1
   12    1   -2    0   -0.1809   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -3    3    2    0.1981   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    1    2    0.5291   -0.1500    0.5323   -0.1459    0.0052    1
   15    1   -3    2   -0.3359   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3    1    2    0.7277   -0.0817    0.7260   -0.0804    0.0022    1
   18   -1    0    1    1.0549   -0.5128    1.0655   -0.4953    0.0204    1
   19   -3    3   -2    0.0425    0.0285    0.0407    0.0272    0.0022    1
   20   -2    1    0    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21    1   -1    2   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -3    1   -2    0.2961    0.3313    0.2970    0.3320    0.0011    1
   23   -1    0   -2    0.0344    0.2681    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7274   -0.0547   -0.7289   -0.0565    0.0023    1
    2    1   -1    6   -0.0133   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -1   -1   -6   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    0   -1    2   -0.1971   -0.5871   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0575   -0.2264    0.0566   -0.2258    0.0011    1
    6    0   -1   -2   -0.1046    0.1167   -0.1046    0.1173    0.0005    1
    7   -1   -1    6    0.1203   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1    1    6    0.1451   -0.2220    0.1441   -0.2219    0.0011    1
    9    1   -3   -2   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10   -1    1    2    0.2263   -0.1274    0.2267   -0.1283    0.0010    1
   11   -1    0    2    0.5367   -0.6135    0.5314   -0.6143    0.0053    1
   12    1   -2    0   -0.1812   -0.0379   -0.1815   -0.0378    0.0004    1
   13   -3    3    2    0.1969   -0.0085    0.1981   -0.0091    0.0014    1
   14   -2    1    2    0.5289   -0.1480    0.5323   -0.1459    0.0040    1
   15    1   -3    2   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16   -1    1    0    0.1245    0.0348    0.1256    0.0356    0.0014    1
   17   -3    1    2    0.7272   -0.0786    0.7260   -0.0804    0.0021    1
   18   -1    0    1    1.0613   -0.5083    1.0655   -0.4953    0.0137    1
   19   -3    3   -2    0.0420    0.0272    0.0407    0.0272    0.0012    1
   20   -2    1    0    0.4407    0.1641    0.4436    0.1639    0.0029    1
   21    1   -1    2   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -3    1   -2    0.2947    0.3300    0.2970    0.3320    0.0030    1
   23   -1    0   -2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.47                ###
# Bravais type
   Tetragonal(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4364    1.4548    0.4788   89.5898   89.9532   88.0926      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4409    1.4409    0.4817   90.0000   90.0000   90.0000      0.0000         2.9913    2.9913
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0000    0.0066    0.0000    0.0000    0.0000      0.0000         0.0410    0.0410
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6645    0.1885   -0.0902)
 a2 = (    0.1032   -0.1290    0.6676)
 a3 = (    0.4943   -1.9734   -0.4730)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6620    0.1885   -0.0891) (    0.0013    0.0040    0.0032)
 a2 = (    0.1271   -0.1297    0.6699) (    0.0033    0.0032    0.0008)
 a3 = (    0.4943   -1.9600   -0.4733) (    0.0141    0.0271    0.0108)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5802  103.1774   14.1529    0.2725    0.2639    0.3448
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0003    0.0051      0.0021    0.0025    0.0119

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7808         7.6926
# Chi-squares at the beginning and the end of the refinement
    0.1480    0.0187
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    1    0   -1   -0.0139   -0.1760   -0.0133   -0.1793    0.0034    1
    3    0    1    1   -0.0243    0.0857   -0.0241    0.0824    0.0033    1
    4    3    3   -2   -0.1878   -0.5894   -0.1976   -0.5890    0.0098    1
    5    0    0   -1    0.0565   -0.2255    0.0566   -0.2258    0.0003    1
    6    3    3    2   -0.1034    0.1184   -0.1046    0.1173    0.0016    1
    7    0    1   -1    0.1255   -0.5918    0.1201   -0.5972    0.0076    1
    8   -1    0   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    6    3    1   -0.1937    0.0497   -0.1940    0.0483    0.0014    1
   10   -3    0   -1    0.2263   -0.1281    0.2267   -0.1283    0.0004    1
   11   -3    3   -2    0.5341   -0.5984    0.5314   -0.6143    0.0161    1
   12    3    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -7    0   -1    0.2112   -0.0268    0.1981   -0.0091    0.0220    0
   14   -5    2   -1    0.5983   -0.1281    0.5323   -0.1459    0.0684    0
   15    6    3   -1   -0.3368   -0.2407   -0.3358   -0.2354    0.0054    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -6    3   -1    0.7147   -0.0781    0.7260   -0.0804    0.0116    1
   18   -3    3   -1    1.0337   -0.4846    1.0655   -0.4953    0.0335    1
   19   -6    0    1    0.0109    0.0097    0.0407    0.0272    0.0346    0
   20   -3    1    0    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    3    0   -1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22   -6    3    1    0.2953    0.3239    0.2970    0.3320    0.0082    1
   23   -3    3    2    0.0377    0.2656    0.0342    0.2676    0.0041    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7277   -0.0545   -0.7289   -0.0565    0.0023    1
    2    1    0   -1   -0.0133   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0    1    1   -0.0251    0.0857   -0.0241    0.0824    0.0034    1
    4    3    3   -2   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    0    0   -1    0.0574   -0.2262    0.0566   -0.2258    0.0010    1
    6    3    3    2   -0.1046    0.1169   -0.1046    0.1173    0.0004    1
    7    0    1   -1    0.1203   -0.5976    0.1201   -0.5972    0.0005    1
    8   -1    0   -1    0.1451   -0.2218    0.1441   -0.2219    0.0010    1
    9    6    3    1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10   -3    0   -1    0.2262   -0.1273    0.2267   -0.1283    0.0012    1
   11   -3    3   -2    0.5364   -0.6132    0.5314   -0.6143    0.0051    1
   12    3    1    0   -0.1813   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -7    0   -1    0.2101   -0.0265    0.1981   -0.0091    0.0211    0
   14   -6    2   -1    0.5451   -0.0740    0.5323   -0.1459    0.0731    0
   15    6    3   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -1    0    0    0.1244    0.0350    0.1256    0.0356    0.0013    1
   17   -6    3   -1    0.7271   -0.0786    0.7260   -0.0804    0.0020    1
   18   -3    3   -1    1.0608   -0.5083    1.0655   -0.4953    0.0139    1
   19   -7    0    1    0.0227    0.0173    0.0407    0.0272    0.0205    0
   20   -3    1    0    0.4406    0.1643    0.4436    0.1639    0.0030    1
   21    3    0   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -6    3    1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23   -3    3    2    0.0343    0.2670    0.0342    0.2676    0.0007    1

###                                ###
### Candidates for Orthorhombic(F) ###
###                                ###

###            No.1                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2500    1.7741    1.8045   89.1671   88.4715   89.8476      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2607    1.7813    1.7812   90.0000   90.0000   90.0000      0.0000         0.7078    1.0001
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0354    0.0324    0.0000    0.0000    0.0000      0.0000         0.0129    0.0262
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1894    0.7561    0.1814)
 a2 = (   -0.4537   -0.0352   -0.3327)
 a3 = (   -0.2912   -0.1920    0.4310)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1884    0.7491    0.1805) (    0.0044    0.0013    0.0036)
 a2 = (   -0.4514   -0.0335   -0.3320) (    0.0111    0.0041    0.0049)
 a3 = (   -0.3059   -0.1816    0.4343) (    0.0088    0.0044    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  158.9501   39.3245  -59.3007    0.4471    0.5231    0.5386
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0035      0.0023    0.0022    0.0127

# Number of computed bands
            400             79
# Figure of merit at the beginning and the end of the refinement
         3.3930        53.7195
# Chi-squares at the beginning and the end of the refinement
    0.0928    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -1   -1   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3   -3   -1    1   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4    2   -2    0   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -2    0   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3   -1    1    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    3    1    1    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1   -3   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0   -4   -2   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    1    3    3    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    2    2    4    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    1   -3   -1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    0    2    2    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    1    1    3    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    3    1    7    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19   -1    3    3    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    0    2    4    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    1   -1   -1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22   -1    1    3    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23   -2    0    2    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2    3   -1   -1   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -3   -1    1   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    2   -2    0   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    2    0    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6   -2   -2    0   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7    3   -1    1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    3    1    1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -1   -3   -1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10    1    1    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11    2    0    2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    0   -4   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    1    3    3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    2    2    4    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15    1   -3   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    2    2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    1    1    3    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18    2    0    4    1.0605   -0.5115    1.0655   -0.4953    0.0169    1
   19   -1    3    3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0    2    4    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    1   -1   -1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1    1    3    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23   -2    0    2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.2                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2657    1.7619    1.7939   89.1409   89.8730   90.1104      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2607    1.7813    1.7812   90.0000   90.0000   90.0000      0.0000         0.7078    1.0001
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0354    0.0324    0.0000    0.0000    0.0000      0.0000         0.0129    0.0262
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1875    0.7463    0.1794)
 a2 = (    0.4569    0.0354    0.3350)
 a3 = (    0.2964    0.1782   -0.4372)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1884    0.7491    0.1805) (    0.0044    0.0013    0.0036)
 a2 = (    0.4514    0.0335    0.3320) (    0.0111    0.0041    0.0049)
 a3 = (    0.3059    0.1816   -0.4343) (    0.0088    0.0044    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   21.0499  140.6755  120.6993    0.4471    0.5231    0.5386
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0035      0.0023    0.0022    0.0127

# Number of computed bands
            400             82
# Figure of merit at the beginning and the end of the refinement
         7.7091        52.7277
# Chi-squares at the beginning and the end of the refinement
    0.0727    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1    1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -3    1   -1   -0.0273    0.0900   -0.0241    0.0824    0.0082    1
    4    2    2    0   -0.2027   -0.5882   -0.1976   -0.5890    0.0052    1
    5    2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -2    2    0   -0.1089    0.1202   -0.1046    0.1173    0.0052    1
    7    3    1   -1    0.1157   -0.6031    0.1201   -0.5972    0.0074    1
    8    3   -1   -1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    3    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0   -2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    4    2   -0.1846   -0.0380   -0.1815   -0.0378    0.0030    1
   13    1   -3   -3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -2   -4    0.5370   -0.1538    0.5323   -0.1459    0.0092    1
   15    1    3    1   -0.3400   -0.2369   -0.3358   -0.2354    0.0045    1
   16    0   -2   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1   -3    0.7440   -0.0854    0.7260   -0.0804    0.0187    1
   18    2    0   -4    1.0809   -0.5399    1.0655   -0.4953    0.0472    0
   19   -1   -3   -3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -2   -4    0.4510    0.1684    0.4436    0.1639    0.0087    1
   21    1    1    1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1   -3    0.3004    0.3413    0.2970    0.3320    0.0099    1
   23   -2    0   -2    0.0324    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2    3    1    1   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -3    1   -1   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    2    2    0   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    2    0    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6   -2    2    0   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7    3    1   -1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    3   -1   -1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -1    3    1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10    1   -1   -1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11    2    0   -2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    0    4    2   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    1   -3   -3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    2   -2   -4    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15    1    3    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2   -2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    1   -1   -3    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18    2    0   -4    1.0605   -0.5115    1.0655   -0.4953    0.0169    1
   19   -1   -3   -3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -2   -4    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    1    1    1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1   -1   -3    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23   -2    0   -2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.3                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2890    1.7620    1.7621   90.0596   91.1444   88.6163      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2636    1.7799    1.7785   90.0000   90.0000   90.0000      0.0000         0.7105    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0731    0.0739    0.0000    0.0000    0.0000      0.0000         0.0295    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1189    0.1486   -0.7525)
 a2 = (   -0.4781    0.2707    0.1431)
 a3 = (    0.2875    0.4878    0.0392)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1447    0.1473   -0.7640) (    0.0053    0.0048    0.0016)
 a2 = (   -0.4734    0.2676    0.1412) (    0.0200    0.0123    0.0034)
 a3 = (    0.2848    0.4832    0.0392) (    0.0125    0.0200    0.0026)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -75.4062   86.0016  149.4796    0.4463    0.2594    0.3409
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0010      0.0023    0.0022    0.0400

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         5.4164        52.4522
# Chi-squares at the beginning and the end of the refinement
    1.5803    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    2    4   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -1   -3   -3   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4   -1    1    3   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    0    2    2    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -1   -3   -1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -1    3    3    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8    0    4    2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1   -3    1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    1    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12   -1   -3    3   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    0    4   -2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1    5   -1    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15   -1   -1    3   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0    2   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    3   -1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -2    4    0    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19    0    2   -4    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -1    3   -3    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    0    0    2   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1    1   -3    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -1   -1   -3    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7293   -0.0555   -0.7289   -0.0565    0.0011    1
    2    0    2    4   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -1   -3   -3   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -1    1    3   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5    0    2    2    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1   -3   -1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1    3    3    0.1197   -0.5971    0.1201   -0.5972    0.0004    1
    8    0    4    2    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -3    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    2    0    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11   -1    3    1    0.5344   -0.6141    0.5314   -0.6143    0.0030    1
   12   -1   -3    3   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0    4   -2    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14   -1    5   -1    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15   -1   -1    3   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0    2   -2    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17   -1    3   -1    0.7282   -0.0807    0.7260   -0.0804    0.0022    1
   18   -2    4    0    1.0587   -0.5121    1.0655   -0.4953    0.0182    1
   19    0    2   -4    0.0420    0.0276    0.0407    0.0272    0.0013    1
   20   -1    3   -3    0.4419    0.1643    0.4436    0.1639    0.0017    1
   21    0    0    2   -0.0351   -0.0606   -0.0357   -0.0605    0.0005    1
   22   -1    1   -3    0.2950    0.3306    0.2970    0.3320    0.0025    1
   23   -1   -1   -3    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.4                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2425    1.7816    1.8083   89.0629   88.4900   88.7655      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2636    1.7799    1.7785   90.0000   90.0000   90.0000      0.0000         0.7105    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0731    0.0739    0.0000    0.0000    0.0000      0.0000         0.0295    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1724   -0.1404    0.7740)
 a2 = (   -0.4728    0.2677    0.1415)
 a3 = (   -0.2733   -0.4793   -0.0411)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1447   -0.1473    0.7640) (    0.0053    0.0048    0.0016)
 a2 = (   -0.4734    0.2676    0.1412) (    0.0200    0.0123    0.0034)
 a3 = (   -0.2848   -0.4832   -0.0392) (    0.0125    0.0200    0.0026)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   75.4062   93.9984  -30.5204    0.4463    0.2594    0.3409
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0010      0.0023    0.0022    0.0400

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         3.3278        52.4522
# Chi-squares at the beginning and the end of the refinement
    2.0210    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    2   -4   -0.0109   -0.1817   -0.0133   -0.1793    0.0034    1
    3    1   -3    3   -0.0278    0.0860   -0.0241    0.0824    0.0051    1
    4    1    1   -3   -0.1984   -0.5978   -0.1976   -0.5890    0.0089    1
    5    0    2   -2    0.0610   -0.2282    0.0566   -0.2258    0.0050    1
    6    1   -3    1   -0.1080    0.1166   -0.1046    0.1173    0.0035    1
    7    1    3   -3    0.1226   -0.6044    0.1201   -0.5972    0.0077    1
    8    0    4   -2    0.1471   -0.2220    0.1441   -0.2219    0.0030    1
    9    1   -3   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1   -3   -3   -0.1881   -0.0386   -0.1815   -0.0378    0.0066    1
   13    0    4    2    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    1    5    1    0.5386   -0.1570    0.5323   -0.1459    0.0128    1
   15    1   -1   -3   -0.3452   -0.2427   -0.3358   -0.2354    0.0119    1
   16    0    2    2    0.1246    0.0354    0.1256    0.0356    0.0010    1
   17    1    3    1    0.7509   -0.0906    0.7260   -0.0804    0.0269    1
   18    3    7    1    0.9695   -0.3077    1.0655   -0.4953    0.2107    0
   19    0    2    4    0.0399    0.0271    0.0407    0.0272    0.0008    1
   20    1    3    3    0.4563    0.1712    0.4436    0.1639    0.0147    1
   21    0    0   -2   -0.0369   -0.0647   -0.0357   -0.0605    0.0043    1
   22    1    1    3    0.2986    0.3493    0.2970    0.3320    0.0174    1
   23    1   -1    3    0.0259    0.2734    0.0342    0.2676    0.0101    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7293   -0.0555   -0.7289   -0.0565    0.0011    1
    2    0    2   -4   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3    1   -3    3   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    1    1   -3   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5    0    2   -2    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -3    1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    1    3   -3    0.1197   -0.5971    0.1201   -0.5972    0.0004    1
    8    0    4   -2    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1   -3   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    2    0    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11    1    3   -1    0.5344   -0.6141    0.5314   -0.6143    0.0030    1
   12    1   -3   -3   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0    4    2    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    1    5    1    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15    1   -1   -3   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0    2    2    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17    1    3    1    0.7282   -0.0807    0.7260   -0.0804    0.0022    1
   18    2    4    0    1.0587   -0.5121    1.0655   -0.4953    0.0182    1
   19    0    2    4    0.0420    0.0276    0.0407    0.0272    0.0013    1
   20    1    3    3    0.4419    0.1643    0.4436    0.1639    0.0017    1
   21    0    0   -2   -0.0351   -0.0606   -0.0357   -0.0605    0.0005    1
   22    1    1    3    0.2950    0.3306    0.2970    0.3320    0.0025    1
   23    1   -1    3    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.5                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2561    1.7666    1.8036   91.1081   88.6242   90.0031      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2636    1.7785    1.7799   90.0000   90.0000   90.0000      0.0000         0.7100    0.9992
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0739    0.0731    0.0000    0.0000    0.0000      0.0000         0.0292    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1625   -0.1568    0.7637)
 a2 = (    0.2778    0.4916    0.0416)
 a3 = (   -0.4671    0.2645    0.1398)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1447   -0.1473    0.7640) (    0.0053    0.0048    0.0016)
 a2 = (    0.2848    0.4832    0.0392) (    0.0125    0.0200    0.0026)
 a3 = (   -0.4734    0.2676    0.1412) (    0.0200    0.0123    0.0034)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   85.8687   75.4425 -119.4803    0.2701    0.4441    0.3419
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0010      0.0023    0.0022    0.0400

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         3.3930        52.4522
# Chi-squares at the beginning and the end of the refinement
    1.2798    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    4    2   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    1   -3   -3   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4    1    3    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    2    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1   -3   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    1    3    3    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    0    2    4    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9    1    1   -3   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    0    2    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    3    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    3   -3   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    0   -2    4    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    1   -1    5    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    1    3   -1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    0   -2    2    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    1   -1    3    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    3   -1    7    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19    0   -4    2    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    1   -3    3    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    0    2    0   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22    1   -3    1    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    1   -3   -1    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7293   -0.0555   -0.7289   -0.0565    0.0011    1
    2    0    4    2   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3    1   -3   -3   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    1    3    1   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5    0    2    2    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -1   -3   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    1    3    3    0.1197   -0.5971    0.1201   -0.5972    0.0004    1
    8    0    2    4    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1    1   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0    2    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11    1    1    3    0.5344   -0.6141    0.5314   -0.6143    0.0030    1
   12    1    3   -3   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0   -2    4    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    1   -1    5    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15    1    3   -1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0   -2    2    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17    1   -1    3    0.7282   -0.0807    0.7260   -0.0804    0.0022    1
   18    2    0    4    1.0587   -0.5121    1.0655   -0.4953    0.0182    1
   19    0   -4    2    0.0420    0.0276    0.0407    0.0272    0.0013    1
   20    1   -3    3    0.4419    0.1643    0.4436    0.1639    0.0017    1
   21    0    2    0   -0.0351   -0.0606   -0.0357   -0.0605    0.0005    1
   22    1   -3    1    0.2950    0.3306    0.2970    0.3320    0.0025    1
   23    1   -3   -1    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.7                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2588    1.7533    1.8133   91.6882   89.2551   90.4715      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2607    1.7813    1.7812   90.0000   90.0000   90.0000      0.0000         0.7078    1.0001
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0354    0.0324    0.0000    0.0000    0.0000      0.0000         0.0129    0.0262
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1996   -0.7470   -0.1826)
 a2 = (    0.4593    0.0356    0.3368)
 a3 = (   -0.2869   -0.1760    0.4372)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1884   -0.7491   -0.1805) (    0.0044    0.0013    0.0036)
 a2 = (    0.4514    0.0335    0.3320) (    0.0111    0.0041    0.0049)
 a3 = (   -0.3059   -0.1816    0.4343) (    0.0088    0.0044    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -21.0499   39.3245  -59.3007    0.4471    0.5231    0.5386
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0035      0.0023    0.0022    0.0127

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         3.3278        52.4091
# Chi-squares at the beginning and the end of the refinement
    0.5115    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1   -1   -0.0109   -0.1817   -0.0133   -0.1793    0.0034    1
    3    3    1    1   -0.0278    0.0860   -0.0241    0.0824    0.0051    1
    4   -2    2    0   -0.1984   -0.5978   -0.1976   -0.5890    0.0089    1
    5   -2    0    0    0.0610   -0.2282    0.0566   -0.2258    0.0050    1
    6    2    2    0   -0.1080    0.1166   -0.1046    0.1173    0.0035    1
    7   -3    1    1    0.1226   -0.6044    0.1201   -0.5972    0.0077    1
    8   -3   -1    1    0.1471   -0.2220    0.1441   -0.2219    0.0030    1
    9    1    3   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    4   -2   -0.1881   -0.0386   -0.1815   -0.0378    0.0066    1
   13   -1   -3    3    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -2   -2    4    0.5386   -0.1570    0.5323   -0.1459    0.0128    1
   15   -1    3   -1   -0.3452   -0.2427   -0.3358   -0.2354    0.0119    1
   16    0   -2    2    0.1246    0.0354    0.1256    0.0356    0.0010    1
   17   -1   -1    3    0.7509   -0.0906    0.7260   -0.0804    0.0269    1
   18   -3   -1    7    0.9695   -0.3077    1.0655   -0.4953    0.2107    0
   19    1   -3    3    0.0399    0.0271    0.0407    0.0272    0.0008    1
   20    0   -2    4    0.4563    0.1712    0.4436    0.1639    0.0147    1
   21   -1    1   -1   -0.0369   -0.0647   -0.0357   -0.0605    0.0043    1
   22    1   -1    3    0.2986    0.3493    0.2970    0.3320    0.0174    1
   23    2    0    2    0.0259    0.2734    0.0342    0.2676    0.0101    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2   -3    1   -1   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    3    1    1   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4   -2    2    0   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5   -2    0    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    2    2    0   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -3    1    1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -3   -1    1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1    3   -1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10   -1   -1    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2    0    2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    0    4   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -1   -3    3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -2   -2    4    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15   -1    3   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1   -1    3    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18   -2    0    4    1.0605   -0.5115    1.0655   -0.4953    0.0169    1
   19    1   -3    3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -2    4    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21   -1    1   -1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -1    3    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23    2    0    2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.8                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2453    1.7650    1.8209   91.9163   89.8835   90.1270      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2607    1.7812    1.7813   90.0000   90.0000   90.0000      0.0000         0.7077    0.9999
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0324    0.0354    0.0000    0.0000    0.0000      0.0000         0.0141    0.0262
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1905   -0.7585   -0.1823)
 a2 = (    0.3234    0.1829   -0.4282)
 a3 = (    0.4423    0.0343    0.3243)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1884   -0.7491   -0.1805) (    0.0044    0.0013    0.0036)
 a2 = (    0.3059    0.1816   -0.4343) (    0.0088    0.0044    0.0067)
 a3 = (    0.4514    0.0335    0.3320) (    0.0111    0.0041    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -163.6039   53.7419   94.2482    0.3507    0.5235    0.4660
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0035      0.0023    0.0022    0.0127

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         5.4164        52.4091
# Chi-squares at the beginning and the end of the refinement
    0.7229    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    2   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    3   -1    1   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4   -2    0    2   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5   -2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2    0    2   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -3   -1    1    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -3   -1   -1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1    1    3   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10   -1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -2    0    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    0    2    4   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1   -3   -3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2   -4   -2    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15   -1    1    3   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0   -2   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3   -1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -2   -4    0    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19    1   -3   -3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -4   -2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1    1    1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1   -3   -1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23    2   -2    0    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    2   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2   -3    1    1   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    3   -1    1   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4   -2    0    2   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5   -2    0    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    2    0    2   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -3   -1    1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -3   -1   -1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1    1    3   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10   -1   -1   -1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2   -2    0    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    0    2    4   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -1   -3   -3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -2   -4   -2    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15   -1    1    3   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2   -2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1   -3   -1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18   -2   -4    0    1.0605   -0.5115    1.0655   -0.4953    0.0169    1
   19    1   -3   -3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -4   -2    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21   -1    1    1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -3   -1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23    2   -2    0    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.13                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2610    1.7810    1.7811   89.9553   90.2643   89.6578      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.7805    1.7805   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0666    0.0693    0.0000    0.0000    0.0000      0.0000         0.0276    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1432   -0.1427    0.7668)
 a2 = (    0.4729   -0.2677   -0.1415)
 a3 = (    0.2844    0.4825    0.0394)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1449   -0.1479    0.7650) (    0.0049    0.0045    0.0015)
 a2 = (    0.4734   -0.2671   -0.1413) (    0.0182    0.0112    0.0034)
 a3 = (    0.2842    0.4828    0.0395) (    0.0117    0.0187    0.0026)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  104.6115   85.9661  149.5210    0.4091    0.2533    0.3348
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
             87             81
# Figure of merit at the beginning and the end of the refinement
        43.7704        51.8185
# Chi-squares at the beginning and the end of the refinement
    0.1108    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7335   -0.0587   -0.7289   -0.0565    0.0051    1
    2    0   -2    4   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    1    3   -3   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4    1   -1    3   -0.1956   -0.5876   -0.1976   -0.5890    0.0024    1
    5    0   -2    2    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    1    3   -1   -0.1054    0.1178   -0.1046    0.1173    0.0009    1
    7    1   -3    3    0.1196   -0.5973    0.1201   -0.5972    0.0005    1
    8    0   -4    2    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    1    3    1   -0.1944    0.0488   -0.1940    0.0483    0.0006    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3    1    0.5330   -0.6148    0.5314   -0.6143    0.0017    1
   12    1    3    3   -0.1827   -0.0380   -0.1815   -0.0378    0.0012    1
   13    0   -4   -2    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14    1   -5   -1    0.5299   -0.1509    0.5323   -0.1459    0.0055    1
   15    1    1    3   -0.3377   -0.2384   -0.3358   -0.2354    0.0035    1
   16    0   -2   -2    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17    1   -3   -1    0.7292   -0.0832    0.7260   -0.0804    0.0042    1
   18    2   -4    0    1.0555   -0.5165    1.0655   -0.4953    0.0235    1
   19    0   -2   -4    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20    1   -3   -3    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21    0    0    2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -1   -3    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    1   -3    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0   -2    4   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    3   -3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1   -1    3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2    2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1    3   -1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    1   -3    3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0   -4    2    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1    3    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0   -2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1   -3    1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    1    3    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0   -4   -2    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    1   -5   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1    1    3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0   -2   -2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1   -3   -1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2   -4    0    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0   -2   -4    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1   -3   -3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    0    2   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -1   -3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1    1   -3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.14                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2627    1.7760    1.7838   90.2271   89.8005   90.0399      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.7805    1.7805   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0693    0.0666    0.0000    0.0000    0.0000      0.0000         0.0265    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1435    0.1454   -0.7652)
 a2 = (   -0.2874   -0.4827   -0.0383)
 a3 = (   -0.4721    0.2673    0.1413)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1449    0.1479   -0.7650) (    0.0049    0.0045    0.0015)
 a2 = (   -0.2842   -0.4828   -0.0395) (    0.0117    0.0187    0.0026)
 a3 = (   -0.4734    0.2671    0.1413) (    0.0182    0.0112    0.0034)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -94.1683   75.4255 -119.4284    0.2635    0.4071    0.3315
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
             81             81
# Figure of merit at the beginning and the end of the refinement
        42.9605        51.8185
# Chi-squares at the beginning and the end of the refinement
    0.0806    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -4    2   -0.0146   -0.1755   -0.0133   -0.1793    0.0040    1
    3   -1    3   -3   -0.0254    0.0871   -0.0241    0.0824    0.0049    1
    4   -1   -3    1   -0.1982   -0.5832   -0.1976   -0.5890    0.0058    1
    5    0   -2    2    0.0556   -0.2258    0.0566   -0.2258    0.0009    1
    6   -1    1   -3   -0.1052    0.1182   -0.1046    0.1173    0.0011    1
    7   -1   -3    3    0.1165   -0.5969    0.1201   -0.5972    0.0036    1
    8    0   -2    4    0.1438   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1   -1   -3   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0    0    2    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1    3    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12   -1   -3   -3   -0.1806   -0.0373   -0.1815   -0.0378    0.0011    1
   13    0    2    4    0.1981   -0.0083    0.1981   -0.0091    0.0008    1
   14   -1    1    5    0.5300   -0.1499    0.5323   -0.1459    0.0046    1
   15   -1   -3   -1   -0.3353   -0.2349   -0.3358   -0.2354    0.0007    1
   16    0    2    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1    3    0.7286   -0.0811    0.7260   -0.0804    0.0027    1
   18   -2    0    4    1.0586   -0.5144    1.0655   -0.4953    0.0204    1
   19    0    4    2    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20   -1    3    3    0.4424    0.1640    0.4436    0.1639    0.0012    1
   21    0   -2    0   -0.0348   -0.0585   -0.0357   -0.0605    0.0022    1
   22   -1    3    1    0.2968    0.3305    0.2970    0.3320    0.0015    1
   23   -1    3   -1    0.0356    0.2688    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0   -4    2   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1    3   -3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1   -3    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2    2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1    1   -3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1   -3    3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0   -2    4    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1   -1   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0    2    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1   -1    3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1   -3   -3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0    2    4    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1    1    5    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -3   -1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    2    2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1    1    3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2    0    4    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0    4    2    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1    3    3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0   -2    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1    3    1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1    3   -1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.15                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2644    1.7785    1.7788   90.0318   89.9208   89.9298      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.7805    1.7805   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0666    0.0693    0.0000    0.0000    0.0000      0.0000         0.0276    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1456    0.1484   -0.7631)
 a2 = (    0.4735   -0.2681   -0.1417)
 a3 = (   -0.2848   -0.4831   -0.0388)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1449    0.1479   -0.7650) (    0.0049    0.0045    0.0015)
 a2 = (    0.4734   -0.2671   -0.1413) (    0.0182    0.0112    0.0034)
 a3 = (   -0.2842   -0.4828   -0.0395) (    0.0117    0.0187    0.0026)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -104.6115   94.0339  -30.4790    0.4091    0.2533    0.3348
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
             83             81
# Figure of merit at the beginning and the end of the refinement
        46.4461        51.8185
# Chi-squares at the beginning and the end of the refinement
    0.0301    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2    0   -2   -4   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -1    3    3   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4   -1   -1   -3   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5    0   -2   -2    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -1    3    1   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7   -1   -3   -3    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8    0   -4   -2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    3   -1   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -3   -1    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12   -1    3   -3   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13    0   -4    2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -5    1    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15   -1    1   -3   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3    1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2   -4    0    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    0   -2    4    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -1   -3    3    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21    0    0   -2   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1    3    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23   -1    1    3    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0   -2   -4   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1    3    3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1   -1   -3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2   -2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1    3    1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1   -3   -3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0   -4   -2    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1    3   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0   -2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1   -3   -1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1    3   -3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0   -4    2    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1   -5    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1    1   -3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0   -2    2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1   -3    1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2   -4    0    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0   -2    4    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1   -3    3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    0   -2   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1   -1    3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1    1    3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.19                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2597    1.7735    1.7905   90.0914   89.8898   90.0950      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2565    1.7854    1.7831   90.0000   90.0000   90.0000      0.0000         0.7047    1.0013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0297    0.0306    0.0000    0.0000    0.0000      0.0000         0.0121    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7573   -0.2148    0.1028)
 a2 = (    0.0213   -0.3052   -0.4736)
 a3 = (    0.1671   -0.4450    0.2933)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7592   -0.2160    0.1020) (    0.0014    0.0044    0.0034)
 a2 = (    0.0218   -0.2999   -0.4725) (    0.0026    0.0065    0.0076)
 a3 = (    0.1669   -0.4485    0.2924) (    0.0048    0.0089    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  171.3582   58.5760   20.4128    0.2869    0.3951    0.4041
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
             81             83
# Figure of merit at the beginning and the end of the refinement
        36.8465        51.5097
# Chi-squares at the beginning and the end of the refinement
    0.0574    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7303   -0.0607   -0.7289   -0.0565    0.0044    1
    2   -1   -3   -3   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    0    2    4   -0.0258    0.0868   -0.0241    0.0824    0.0047    1
    4   -1   -3   -1   -0.1954   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0   -2   -2    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -1    1    3   -0.1058    0.1178   -0.1046    0.1173    0.0013    1
    7    0   -4   -2    0.1185   -0.5960    0.1201   -0.5972    0.0020    1
    8    1   -3   -3    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -2    0    2   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3   -1    0.5310   -0.6156    0.5314   -0.6143    0.0014    1
   12   -3   -1    1   -0.1818   -0.0379   -0.1815   -0.0378    0.0003    1
   13    3   -1   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    3   -3   -1    0.5302   -0.1517    0.5323   -0.1459    0.0062    1
   15   -2   -2    0   -0.3361   -0.2375   -0.3358   -0.2354    0.0021    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -2    0    0.7304   -0.0848    0.7260   -0.0804    0.0063    1
   18    2   -4    0    1.0545   -0.5216    1.0655   -0.4953    0.0285    1
   19    3    1    1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    3   -1    1    0.4452    0.1642    0.4436    0.1639    0.0016    1
   21   -1   -1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    2    0    2    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    1    1    3    0.0341    0.2700    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2   -1   -3   -3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    2    4   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1   -3   -1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0   -2   -2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6   -1    1    3   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0   -4   -2    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1   -3   -3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9   -2    0    2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -3   -1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12   -3   -1    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3   -1   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3   -3   -1    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15   -2   -2    0   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17    2   -2    0    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18    2   -4    0    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19    3    1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    3   -1    1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21   -1   -1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    2    0    2    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23    1    1    3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.20                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2744    1.7567    1.7873   89.7249   88.4833   90.1479      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2565    1.7831    1.7854   90.0000   90.0000   90.0000      0.0000         0.7037    0.9987
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0306    0.0297    0.0000    0.0000    0.0000      0.0000         0.0117    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7449   -0.2271    0.0983)
 a2 = (    0.1760   -0.4564    0.2911)
 a3 = (   -0.0134    0.2996    0.4725)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7592   -0.2160    0.1020) (    0.0014    0.0044    0.0034)
 a2 = (    0.1669   -0.4485    0.2924) (    0.0048    0.0089    0.0041)
 a3 = (   -0.0218    0.2999    0.4725) (    0.0026    0.0065    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.8164   32.4730 -175.8388    0.4802    0.3868    0.4652
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         3.3930        51.5097
# Chi-squares at the beginning and the end of the refinement
    0.5080    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3    3   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    0    4   -2   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4   -1   -1    3   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0   -2    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    3   -1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    0   -2    4    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    1   -3    3    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9   -2    2    0   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    3    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3    1    1   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    3   -1    1    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    3   -1    3    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15   -2    0    2   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    2    0    0    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    2    0    2    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    4    0    6    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19    3    1   -1    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    3    1    1    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21   -1   -1    1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22    2    2    0    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    1    3   -1    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2   -1   -3    3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    4   -2   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1   -1    3   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0   -2    2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6   -1    3   -1   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0   -2    4    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1   -3    3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9   -2    2    0   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1   -1    1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -1    3    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12   -3    1    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3   -1    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3   -1    3    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15   -2    0    2   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17    2    0    2    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18    2    0    4    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19    3    1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    3    1    1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21   -1   -1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    2    2    0    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23    1    3   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.21                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2568    1.7830    1.7850   89.6919   89.8308   90.0107      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2565    1.7854    1.7831   90.0000   90.0000   90.0000      0.0000         0.7047    1.0013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0297    0.0306    0.0000    0.0000    0.0000      0.0000         0.0121    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7590    0.2153   -0.1030)
 a2 = (    0.0216   -0.3017   -0.4723)
 a3 = (   -0.1684    0.4484   -0.2906)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7592    0.2160   -0.1020) (    0.0014    0.0044    0.0034)
 a2 = (    0.0218   -0.2999   -0.4725) (    0.0026    0.0065    0.0076)
 a3 = (   -0.1669    0.4485   -0.2924) (    0.0048    0.0089    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -171.3582  121.4240 -159.5872    0.2869    0.3951    0.4041
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
             93             83
# Figure of merit at the beginning and the end of the refinement
        41.3294        51.5097
# Chi-squares at the beginning and the end of the refinement
    0.0316    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7244   -0.0548   -0.7289   -0.0565    0.0048    1
    2    1   -3    3   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    2   -4   -0.0249    0.0834   -0.0241    0.0824    0.0012    1
    4    1   -3    1   -0.1966   -0.5864   -0.1976   -0.5890    0.0027    1
    5    0   -2    2    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    1   -3   -0.1029    0.1146   -0.1046    0.1173    0.0032    1
    7    0   -4    2    0.1202   -0.5976    0.1201   -0.5972    0.0005    1
    8   -1   -3    3    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2    0   -2   -0.1902    0.0478   -0.1940    0.0483    0.0038    1
   10   -1   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1   -3    1    0.5350   -0.6137    0.5314   -0.6143    0.0036    1
   12    3   -1   -1   -0.1796   -0.0370   -0.1815   -0.0378    0.0021    1
   13   -3   -1    1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3   -3    1    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15    2   -2    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -2    0    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2   -4    0    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -3    1   -1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3   -1   -1    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    1   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    0   -2    0.2945    0.3309    0.2970    0.3320    0.0027    1
   23   -1    1   -3    0.0331    0.2656    0.0342    0.2676    0.0023    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2    1   -3    3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    2   -4   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1   -3    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0   -2    2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1    1   -3   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0   -4    2    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1   -3    3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    2    0   -2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1   -1    1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -3    1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12    3   -1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3   -1    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3   -3    1    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15    2   -2    0   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -2   -2    0    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -2   -4    0    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19   -3    1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3   -1   -1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21    1   -1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -2    0   -2    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23   -1    1   -3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.24                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2585    1.7760    1.7898   89.9020   89.5684   89.3923      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2565    1.7854    1.7831   90.0000   90.0000   90.0000      0.0000         0.7047    1.0013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0297    0.0306    0.0000    0.0000    0.0000      0.0000         0.0121    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7581    0.2150   -0.1029)
 a2 = (   -0.0275    0.3020    0.4745)
 a3 = (    0.1622   -0.4472    0.2930)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7592    0.2160   -0.1020) (    0.0014    0.0044    0.0034)
 a2 = (   -0.0218    0.2999    0.4725) (    0.0026    0.0065    0.0076)
 a3 = (    0.1669   -0.4485    0.2924) (    0.0048    0.0089    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -8.6418   58.5760   20.4128    0.2869    0.3951    0.4041
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
             95             83
# Figure of merit at the beginning and the end of the refinement
        36.0330        51.5097
# Chi-squares at the beginning and the end of the refinement
    0.0387    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7399   -0.0578   -0.7289   -0.0565    0.0110    1
    2    1    3   -3   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -2    4   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4    1    3   -1   -0.1937   -0.5919   -0.1976   -0.5890    0.0048    1
    5    0    2   -2    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1   -1    3   -0.1048    0.1177   -0.1046    0.1173    0.0005    1
    7    0    4   -2    0.1237   -0.5985    0.1201   -0.5972    0.0038    1
    8   -1    3   -3    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2    0    2   -0.1942    0.0490   -0.1940    0.0483    0.0007    1
   10   -1    1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    3   -1    0.5375   -0.6100    0.5314   -0.6143    0.0074    1
   12    3    1    1   -0.1826   -0.0379   -0.1815   -0.0378    0.0011    1
   13   -3    1   -1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3    3   -1    0.5295   -0.1488    0.5323   -0.1459    0.0041    1
   15    2    2    0   -0.3389   -0.2398   -0.3358   -0.2354    0.0054    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    2    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -2    4    0    1.0527   -0.5035    1.0655   -0.4953    0.0152    1
   19   -3   -1    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    1    1    0.4425    0.1635    0.4436    0.1639    0.0011    1
   21    1    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    0    2    0.2972    0.3303    0.2970    0.3320    0.0017    1
   23   -1   -1    3    0.0352    0.2683    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2    1    3   -3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -2    4   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1    3   -1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0    2   -2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1   -1    3   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0    4   -2    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1    3   -3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    2    0    2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1    1   -1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    3   -1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12    3    1    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3    1   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3    3   -1    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15    2    2    0   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -2    2    0    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -2    4    0    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19   -3   -1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3    1    1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21    1    1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -2    0    2    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23   -1   -1    3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.25                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2581    1.7812    1.7849   90.2955   89.8728   90.0331      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2565    1.7854    1.7831   90.0000   90.0000   90.0000      0.0000         0.7047    1.0013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0297    0.0306    0.0000    0.0000    0.0000      0.0000         0.0121    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7581   -0.2156    0.1030)
 a2 = (   -0.0223    0.3028    0.4722)
 a3 = (   -0.1659    0.4485   -0.2920)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7592   -0.2160    0.1020) (    0.0014    0.0044    0.0034)
 a2 = (   -0.0218    0.2999    0.4725) (    0.0026    0.0065    0.0076)
 a3 = (   -0.1669    0.4485   -0.2924) (    0.0048    0.0089    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    8.6418  121.4240 -159.5872    0.2869    0.3951    0.4041
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
             85             83
# Figure of merit at the beginning and the end of the refinement
        48.7903        51.5097
# Chi-squares at the beginning and the end of the refinement
    0.0472    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    3    3   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    0   -2   -4   -0.0253    0.0856   -0.0241    0.0824    0.0034    1
    4   -1    3    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    2    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1   -3   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    0    4    2    0.1189   -0.5953    0.1201   -0.5972    0.0022    1
    8    1    3    3    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -2    0   -2   -0.1923    0.0485   -0.1940    0.0483    0.0018    1
   10    1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3    1    0.5325   -0.6134    0.5314   -0.6143    0.0014    1
   12   -3    1   -1   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13    3    1    1    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    3    3    1    0.5294   -0.1500    0.5323   -0.1459    0.0050    1
   15   -2    2    0   -0.3354   -0.2363   -0.3358   -0.2354    0.0010    1
   16    2    0    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    2    2    0    0.7280   -0.0814    0.7260   -0.0804    0.0023    1
   18    2    4    0    1.0557   -0.5130    1.0655   -0.4953    0.0203    1
   19    3   -1   -1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    3    1   -1    0.4425    0.1646    0.4436    0.1639    0.0013    1
   21   -1    1    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    2    0   -2    0.2954    0.3313    0.2970    0.3320    0.0017    1
   23    1   -1   -3    0.0342    0.2675    0.0342    0.2676    0.0002    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2   -1    3    3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -2   -4   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    3    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0    2    2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6   -1   -1   -3   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0    4    2    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1    3    3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9   -2    0   -2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1    1    1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11    1    3    1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12   -3    1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3    1    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3    3    1    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15   -2    2    0   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17    2    2    0    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18    2    4    0    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19    3   -1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    3    1   -1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21   -1    1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    2    0   -2    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23    1   -1   -3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.32                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2581    1.7815    1.7848   89.6816   89.9884   90.0026      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2565    1.7831    1.7854   90.0000   90.0000   90.0000      0.0000         0.7037    0.9987
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0306    0.0297    0.0000    0.0000    0.0000      0.0000         0.0117    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7583   -0.2151    0.1029)
 a2 = (   -0.1671    0.4498   -0.2913)
 a3 = (    0.0216   -0.3014   -0.4718)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7592   -0.2160    0.1020) (    0.0014    0.0044    0.0034)
 a2 = (   -0.1669    0.4485   -0.2924) (    0.0048    0.0089    0.0041)
 a3 = (    0.0218   -0.2999   -0.4725) (    0.0026    0.0065    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  166.1836  147.5270    4.1612    0.4802    0.3868    0.4652
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
             83             83
# Figure of merit at the beginning and the end of the refinement
        46.4461        51.5097
# Chi-squares at the beginning and the end of the refinement
    0.0375    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2   -1    3   -3   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    0   -4    2   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4   -1    1   -3   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5    0    2   -2    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -1   -3    1   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7    0    2   -4    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8    1    3   -3    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -2   -2    0   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1   -3    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12   -3   -1   -1   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13    3    1   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    3    1   -3    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15   -2    0   -2   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    0   -2    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18    2    0   -4    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    3   -1    1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    3   -1   -1    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21   -1    1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    2   -2    0    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23    1   -3    1    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2   -1    3   -3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -4    2   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    1   -3   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0    2   -2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6   -1   -3    1   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0    2   -4    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1    3   -3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9   -2   -2    0   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1    1   -1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11    1    1   -3    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12   -3   -1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3    1   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3    1   -3    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15   -2    0   -2   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17    2    0   -2    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18    2    0   -4    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19    3   -1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    3   -1   -1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21   -1    1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    2   -2    0    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23    1   -3    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.33                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2604    1.7658    1.7972   89.8381   89.5954   90.4030      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2565    1.7831    1.7854   90.0000   90.0000   90.0000      0.0000         0.7037    0.9987
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0306    0.0297    0.0000    0.0000    0.0000      0.0000         0.0117    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7569    0.2144   -0.1034)
 a2 = (   -0.1649    0.4557   -0.2929)
 a3 = (   -0.0227    0.2934    0.4723)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7592    0.2160   -0.1020) (    0.0014    0.0044    0.0034)
 a2 = (   -0.1669    0.4485   -0.2924) (    0.0048    0.0089    0.0041)
 a3 = (   -0.0218    0.2999    0.4725) (    0.0026    0.0065    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.1836   32.4730 -175.8388    0.4802    0.3868    0.4652
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
             75             83
# Figure of merit at the beginning and the end of the refinement
        33.6423        51.5097
# Chi-squares at the beginning and the end of the refinement
    0.0656    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2    1    3    3   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3    0   -4   -2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1    1    3   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    0    2    2    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6    1   -3   -1   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7    0    2    4    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8   -1    3    3    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    2   -2    0   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    3    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12    3   -1    1   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13   -3    1    1    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -3    1    3    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15    2    0    2   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16   -2    0    0    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17   -2    0    2    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18   -2    0    4    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19   -3   -1   -1    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20   -3   -1    1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    1    1    1   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22   -2   -2    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1   -3   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2    1    3    3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -4   -2   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1    1    3   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0    2    2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1   -3   -1   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0    2    4    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1    3    3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    2   -2    0   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1    1    1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    1    3    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12    3   -1    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3    1    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3    1    3    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15    2    0    2   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -2    0    2    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -2    0    4    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19   -3   -1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3   -1    1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21    1    1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -2   -2    0    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23   -1   -3   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.34                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2640    1.7779    1.7800   90.0242   89.7000   89.6578      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.7805    1.7805   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0693    0.0666    0.0000    0.0000    0.0000      0.0000         0.0265    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1444   -0.1408    0.7650)
 a2 = (   -0.2849   -0.4834   -0.0386)
 a3 = (    0.4731   -0.2678   -0.1416)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1449   -0.1479    0.7650) (    0.0049    0.0045    0.0015)
 a2 = (   -0.2842   -0.4828   -0.0395) (    0.0117    0.0187    0.0026)
 a3 = (    0.4734   -0.2671   -0.1413) (    0.0182    0.0112    0.0034)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   94.1683  104.5745   60.5716    0.2635    0.4071    0.3315
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
             83             82
# Figure of merit at the beginning and the end of the refinement
        39.6052        51.5016
# Chi-squares at the beginning and the end of the refinement
    0.1439    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7286   -0.0604   -0.7289   -0.0565    0.0039    1
    2    0   -4   -2   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1    3    3   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4    1   -3   -1   -0.1946   -0.5834   -0.1976   -0.5890    0.0063    1
    5    0   -2   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1    3   -0.1050    0.1172   -0.1046    0.1173    0.0004    1
    7    1   -3   -3    0.1182   -0.5945    0.1201   -0.5972    0.0033    1
    8    0   -2   -4    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1   -1    3   -0.1929    0.0481   -0.1940    0.0483    0.0011    1
   10    0    0   -2    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1   -3    0.5302   -0.6139    0.5314   -0.6143    0.0012    1
   12    1   -3    3   -0.1807   -0.0378   -0.1815   -0.0378    0.0009    1
   13    0    2   -4    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1    1   -5    0.5293   -0.1510    0.5323   -0.1459    0.0059    1
   15    1   -3    1   -0.3347   -0.2368   -0.3358   -0.2354    0.0018    1
   16    0    2   -2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    1   -3    0.7284   -0.0838    0.7260   -0.0804    0.0042    1
   18    2    0   -4    1.0522   -0.5182    1.0655   -0.4953    0.0266    1
   19    0    4   -2    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    3   -3    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21    0   -2    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    3   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    3    1    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0   -4   -2   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    3    3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1   -3   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2   -2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1    1    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    1   -3   -3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0   -2   -4    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1   -1    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0   -2    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1   -1   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    1   -3    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0    2   -4    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    1    1   -5    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1   -3    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    2   -2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1    1   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2    0   -4    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0    4   -2    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1    3   -3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0   -2    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    3   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1    3    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.48                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2635    1.7779    1.7808   89.9603   90.1801   89.6897      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2617    1.7805    1.7805   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0693    0.0666    0.0000    0.0000    0.0000      0.0000         0.0265    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1442    0.1424   -0.7651)
 a2 = (    0.2849    0.4834    0.0394)
 a3 = (    0.4731   -0.2678   -0.1408)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1449    0.1479   -0.7650) (    0.0049    0.0045    0.0015)
 a2 = (    0.2842    0.4828    0.0395) (    0.0117    0.0187    0.0026)
 a3 = (    0.4734   -0.2671   -0.1413) (    0.0182    0.0112    0.0034)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -85.8317  104.5745   60.5716    0.2635    0.4071    0.3315
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
             81             83
# Figure of merit at the beginning and the end of the refinement
        40.9287        51.1904
# Chi-squares at the beginning and the end of the refinement
    0.0958    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7309   -0.0593   -0.7289   -0.0565    0.0034    1
    2    0    4   -2   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3   -1   -3    3   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -1    3   -1   -0.1952   -0.5849   -0.1976   -0.5890    0.0047    1
    5    0    2   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1    3   -0.1054    0.1179   -0.1046    0.1173    0.0010    1
    7   -1    3   -3    0.1184   -0.5950    0.1201   -0.5972    0.0028    1
    8    0    2   -4    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9   -1    1    3   -0.1945    0.0487   -0.1940    0.0483    0.0006    1
   10    0    0   -2    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11   -1    1   -3    0.5305   -0.6132    0.5314   -0.6143    0.0014    1
   12   -1    3    3   -0.1827   -0.0381   -0.1815   -0.0378    0.0012    1
   13    0   -2   -4    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14   -1   -1   -5    0.5278   -0.1502    0.5323   -0.1459    0.0062    1
   15   -1    3    1   -0.3365   -0.2377   -0.3358   -0.2354    0.0024    1
   16    0   -2   -2    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17   -1   -1   -3    0.7266   -0.0828    0.7260   -0.0804    0.0025    1
   18   -2    0   -4    1.0523   -0.5160    1.0655   -0.4953    0.0246    1
   19    0   -4   -2    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20   -1   -3   -3    0.4415    0.1636    0.4436    0.1639    0.0021    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3   -1    0.2954    0.3306    0.2970    0.3320    0.0021    1
   23   -1   -3    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0    4   -2   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1   -3    3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    3   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    2   -2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1   -1    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1    3   -3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0    2   -4    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1    1    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0   -2    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1    1   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1    3    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0   -2   -4    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1   -1   -5    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1    3    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0   -2   -2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1   -1   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2    0   -4    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0   -4   -2    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1   -3   -3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    2    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1   -3   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1   -3    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.63                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2614    1.7638    1.7979   89.7233   89.6743   90.3053      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7859    1.7747   90.0000   90.0000   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0338    0.0273    0.0000    0.0000    0.0000      0.0000         0.0110    0.0219
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1881    0.7488    0.1800)
 a2 = (    0.4576    0.0382    0.3326)
 a3 = (    0.2983    0.1762   -0.4352)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1884    0.7481    0.1807) (    0.0044    0.0013    0.0035)
 a2 = (    0.4497    0.0330    0.3321) (    0.0103    0.0039    0.0048)
 a3 = (    0.3079    0.1827   -0.4351) (    0.0072    0.0036    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   21.0368  140.5511  120.6763    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
             69             89
# Figure of merit at the beginning and the end of the refinement
        23.4273        50.5489
# Chi-squares at the beginning and the end of the refinement
    0.0804    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7218   -0.0603   -0.7289   -0.0565    0.0080    1
    2    3    1    1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -3    1   -1   -0.0265    0.0875   -0.0241    0.0824    0.0056    1
    4    2    2    0   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -2    2    0   -0.1069    0.1176   -0.1046    0.1173    0.0023    1
    7    3    1   -1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    3   -1   -1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    3    1   -0.1940    0.0478   -0.1940    0.0483    0.0005    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0   -2    0.5301   -0.6241    0.5314   -0.6143    0.0099    1
   12    0    4    2   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    1   -3   -3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -2   -4    0.5334   -0.1538    0.5323   -0.1459    0.0080    1
   15    1    3    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1   -3    0.7381   -0.0872    0.7260   -0.0804    0.0139    1
   18    2    0   -4    1.0664   -0.5388    1.0655   -0.4953    0.0436    1
   19   -1   -3   -3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -2   -4    0.4486    0.1662    0.4436    0.1639    0.0055    1
   21    1    1    1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1   -3    0.2991    0.3380    0.2970    0.3320    0.0064    1
   23   -2    0   -2    0.0324    0.2720    0.0342    0.2676    0.0047    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    3    1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    2    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    2    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3    1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3   -1   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1    3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0   -2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    4    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2   -2   -4    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2   -2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1   -1   -3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    0   -4    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -1   -3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2   -4    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -1   -3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -2    0   -2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.64                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2577    1.7830    1.7839   90.2629   90.2750   89.6312      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7859    1.7747   90.0000   90.0000   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0338    0.0273    0.0000    0.0000    0.0000      0.0000         0.0110    0.0219
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1882    0.7512    0.1803)
 a2 = (   -0.4512   -0.0374   -0.3310)
 a3 = (   -0.3068   -0.1782    0.4340)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1884    0.7481    0.1807) (    0.0044    0.0013    0.0035)
 a2 = (   -0.4497   -0.0330   -0.3321) (    0.0103    0.0039    0.0048)
 a3 = (   -0.3079   -0.1827    0.4351) (    0.0072    0.0036    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  158.9632   39.4489  -59.3237    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
             83             89
# Figure of merit at the beginning and the end of the refinement
        39.6052        50.5489
# Chi-squares at the beginning and the end of the refinement
    0.0615    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7286   -0.0604   -0.7289   -0.0565    0.0039    1
    2    3   -1   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -3   -1    1   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4    2   -2    0   -0.1946   -0.5834   -0.1976   -0.5890    0.0063    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -2    0   -0.1050    0.1172   -0.1046    0.1173    0.0004    1
    7    3   -1    1    0.1182   -0.5945    0.1201   -0.5972    0.0033    1
    8    3    1    1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -3   -1   -0.1929    0.0481   -0.1940    0.0483    0.0011    1
   10    1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0    2    0.5302   -0.6139    0.5314   -0.6143    0.0012    1
   12    0   -4   -2   -0.1807   -0.0378   -0.1815   -0.0378    0.0009    1
   13    1    3    3    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    2    2    4    0.5293   -0.1510    0.5323   -0.1459    0.0059    1
   15    1   -3   -1   -0.3347   -0.2368   -0.3358   -0.2354    0.0018    1
   16    0    2    2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    1    3    0.7284   -0.0838    0.7260   -0.0804    0.0042    1
   18    2    0    4    1.0522   -0.5182    1.0655   -0.4953    0.0266    1
   19   -1    3    3    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    0    2    4    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21    1   -1   -1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1    1    3    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -2    0    2    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    3   -1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3   -1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2   -2    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2   -2    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0    2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0   -4   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    2    4    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2    2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1    1    3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    0    4    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -1    3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    2    4    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    1    3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -2    0    2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.65                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2574    1.7835    1.7837   90.2865   89.9180   90.0678      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7747    1.7859   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0273    0.0338    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1887   -0.7512   -0.1806)
 a2 = (   -0.3064   -0.1818    0.4330)
 a3 = (   -0.4519   -0.0333   -0.3301)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1884   -0.7481   -0.1807) (    0.0044    0.0013    0.0035)
 a2 = (   -0.3079   -0.1827    0.4351) (    0.0072    0.0036    0.0062)
 a3 = (   -0.4497   -0.0330   -0.3321) (    0.0103    0.0039    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.4557  126.3731  -85.8000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
             83             89
# Figure of merit at the beginning and the end of the refinement
        46.4461        50.5489
# Chi-squares at the beginning and the end of the refinement
    0.0341    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -2   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2   -3   -1   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    3    1   -1   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4   -2    0   -2   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5   -2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2    0   -2   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7   -3    1   -1    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8   -3    1    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1   -1   -3   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    2    0    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12    0   -2   -4   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13   -1    3    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    4    2    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15   -1   -1   -3   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    2    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    3    1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2    4    0    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    1    3    3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0    4    2    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21   -1   -1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1    3    1    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23    2    2    0    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -2   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3   -1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1   -1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    2    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0   -2   -4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    4    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2    2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1    3    1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -2    4    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1    3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    4    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    3    1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    2    2    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.66                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2611    1.7724    1.7896   90.2060   89.4953   89.4062      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7747    1.7859   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0273    0.0338    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1877    0.7492    0.1798)
 a2 = (   -0.3072   -0.1874    0.4345)
 a3 = (    0.4488    0.0275    0.3318)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1884    0.7481    0.1807) (    0.0044    0.0013    0.0035)
 a2 = (   -0.3079   -0.1827    0.4351) (    0.0072    0.0036    0.0062)
 a3 = (    0.4497    0.0330    0.3321) (    0.0103    0.0039    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   16.4557   53.6269   94.2000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
             77             89
# Figure of merit at the beginning and the end of the refinement
        34.7489        50.5489
# Chi-squares at the beginning and the end of the refinement
    0.0351    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    2   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    3   -1    1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -3    1    1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    2    0    2   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    0    2   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7    3    1    1    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    3    1   -1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -1    3   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    2    0    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12    0   -2    4   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    1    3   -3    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    2    4   -2    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    1   -1    3   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    0    2   -2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    3   -1    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    2    4    0    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19   -1    3   -3    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    0    4   -2    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    1   -1    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1    3   -1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -2    2    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    2   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    3   -1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3    1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3    1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -1    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    2    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0   -2    4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    4   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2   -2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1    3   -1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    4    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -1    3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    4   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    3   -1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -2    2    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.68                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2544    1.7796    1.7922   89.3108   89.2799   89.4144      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7747    1.7859   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0273    0.0338    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1887    0.7532    0.1807)
 a2 = (    0.3125    0.1761   -0.4326)
 a3 = (   -0.4476   -0.0400   -0.3310)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1884    0.7481    0.1807) (    0.0044    0.0013    0.0035)
 a2 = (    0.3079    0.1827   -0.4351) (    0.0072    0.0036    0.0062)
 a3 = (   -0.4497   -0.0330   -0.3321) (    0.0103    0.0039    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  163.5443  126.3731  -85.8000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
             89             89
# Figure of merit at the beginning and the end of the refinement
        22.5666        50.5489
# Chi-squares at the beginning and the end of the refinement
    0.1247    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -2   -0.7336   -0.0656   -0.7289   -0.0565    0.0103    1
    2    3    1   -1   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3   -3   -1   -1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    2    0   -2   -0.1902   -0.5829   -0.1976   -0.5890    0.0095    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    0   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    3   -1   -1    0.1198   -0.5906    0.1201   -0.5972    0.0066    1
    8    3   -1    1    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9   -1    1   -3   -0.1939    0.0481   -0.1940    0.0483    0.0003    1
   10    1   -1    1    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11    2   -2    0    0.5261   -0.6059    0.5314   -0.6143    0.0099    1
   12    0    2   -4   -0.1817   -0.0385   -0.1815   -0.0378    0.0008    1
   13    1   -3    3    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14    2   -4    2    0.5240   -0.1500    0.5323   -0.1459    0.0092    1
   15    1    1   -3   -0.3341   -0.2391   -0.3358   -0.2354    0.0041    1
   16    0   -2    2    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17    1   -3    1    0.7193   -0.0845    0.7260   -0.0804    0.0079    1
   18    2   -4    0    1.0343   -0.5098    1.0655   -0.4953    0.0344    1
   19   -1   -3    3    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20    0   -4    2    0.4394    0.1607    0.4436    0.1639    0.0052    1
   21    1    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3    1    0.2960    0.3270    0.2970    0.3320    0.0052    1
   23   -2   -2    0    0.0355    0.2663    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -2   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    3    1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3   -1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3   -1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3   -1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1    1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -2    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    2   -4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2   -4    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2    2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1   -3    1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2   -4    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -1   -3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -4    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -3    1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -2   -2    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.70                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2864    1.7375    1.7927   91.8453   87.9268   88.1080      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7747    1.7859   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0273    0.0338    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1474   -0.7447   -0.1715)
 a2 = (    0.3287    0.1859   -0.4352)
 a3 = (    0.4495    0.0348    0.3296)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1884   -0.7481   -0.1807) (    0.0044    0.0013    0.0035)
 a2 = (    0.3079    0.1827   -0.4351) (    0.0072    0.0036    0.0062)
 a3 = (    0.4497    0.0330    0.3321) (    0.0103    0.0039    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -163.5443   53.6269   94.2000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            400             89
# Figure of merit at the beginning and the end of the refinement
         4.5372        50.5489
# Chi-squares at the beginning and the end of the refinement
    2.2927    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    2   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -5    1    1   -0.0020   -0.1906   -0.0133   -0.1793    0.0159    1
    3    3   -1    1   -0.0235    0.0994   -0.0241    0.0824    0.0170    1
    4   -2    0    2   -0.2166   -0.5589   -0.1976   -0.5890    0.0356    0
    5   -2    0    0    0.0439   -0.2216    0.0566   -0.2258    0.0134    1
    6    2    0    2   -0.1097    0.1305   -0.1046    0.1173    0.0142    1
    7   -3   -1    1    0.0926   -0.5998    0.1201   -0.5972    0.0277    0
    8   -3   -1   -1    0.1365   -0.2252    0.1441   -0.2219    0.0083    1
    9    1    1    3   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -2    0    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    2    4   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1   -3   -3    0.1965   -0.0065    0.1981   -0.0091    0.0030    1
   14   -2   -4   -2    0.5294   -0.1427    0.5323   -0.1459    0.0043    1
   15   -1    1    3   -0.3251   -0.2200   -0.3358   -0.2354    0.0187    1
   16    0   -2   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3   -1    0.7183   -0.0691    0.7260   -0.0804    0.0137    1
   18   -2   -4    0    1.0658   -0.4939    1.0655   -0.4953    0.0013    1
   19    1   -3   -3    0.0470    0.0302    0.0407    0.0272    0.0069    1
   20    0   -4   -2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1    1    1   -0.0312   -0.0478   -0.0357   -0.0605    0.0135    1
   22    1   -3   -1    0.3006    0.3121    0.2970    0.3320    0.0203    1
   23    2   -2    0    0.0532    0.2730    0.0342    0.2676    0.0198    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    2   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3    1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3   -1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1    1    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2   -2    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    2    4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -4   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2   -2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -3   -1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -2   -4    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1   -3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -4   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -3   -1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    2   -2    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.75                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2587    1.7797    1.7857   89.9244   89.8546   89.8637      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7859    1.7747   90.0000   90.0000   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0338    0.0273    0.0000    0.0000    0.0000      0.0000         0.0110    0.0219
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1885   -0.7503   -0.1809)
 a2 = (    0.4522    0.0351    0.3316)
 a3 = (   -0.3051   -0.1798    0.4338)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1884   -0.7481   -0.1807) (    0.0044    0.0013    0.0035)
 a2 = (    0.4497    0.0330    0.3321) (    0.0103    0.0039    0.0048)
 a3 = (   -0.3079   -0.1827    0.4351) (    0.0072    0.0036    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -21.0368   39.4489  -59.3237    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
             75             89
# Figure of merit at the beginning and the end of the refinement
        50.5584        50.5489
# Chi-squares at the beginning and the end of the refinement
    0.0384    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1   -1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    3    1    1   -0.0254    0.0854   -0.0241    0.0824    0.0033    1
    4   -2    2    0   -0.1970   -0.5865   -0.1976   -0.5890    0.0026    1
    5   -2    0    0    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    2    2    0   -0.1047    0.1169   -0.1046    0.1173    0.0004    1
    7   -3    1    1    0.1187   -0.5976    0.1201   -0.5972    0.0015    1
    8   -3   -1    1    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    1    3   -1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0    2    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    0    4   -2   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13   -1   -3    3    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -2   -2    4    0.5303   -0.1508    0.5323   -0.1459    0.0053    1
   15   -1    3   -1   -0.3371   -0.2369   -0.3358   -0.2354    0.0020    1
   16    0   -2    2    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -1   -1    3    0.7302   -0.0826    0.7260   -0.0804    0.0048    1
   18   -2    0    4    1.0593   -0.5183    1.0655   -0.4953    0.0238    1
   19    1   -3    3    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20    0   -2    4    0.4434    0.1647    0.4436    0.1639    0.0008    1
   21   -1    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -1    3    0.2958    0.3323    0.2970    0.3320    0.0012    1
   23    2    0    2    0.0336    0.2677    0.0342    0.2676    0.0006    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3    1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    2    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    2    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1    3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    0    2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    4   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -2    4    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2    2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -1    3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -2    0    4    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1   -3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2    4    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -1    3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    2    0    2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.92                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2312    1.2338    2.6336   89.6890   88.9534   90.0509      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2346    1.2345    2.6245   90.0000   90.0000   90.0000      0.0000         0.4704    0.4704
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0167    0.0982    0.0000    0.0000    0.0000      0.0000         0.0176    0.0183
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6847   -0.3859   -0.2054)
 a2 = (    0.4106    0.6965    0.0568)
 a3 = (    0.0630   -0.0695    0.3680)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6828   -0.3852   -0.2038) (    0.0023    0.0042    0.0056)
 a2 = (    0.4098    0.6964    0.0570) (    0.0073    0.0094    0.0037)
 a3 = (    0.0697   -0.0711    0.3678) (    0.0045    0.0043    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -74.3813   15.1464   44.4196    0.9351    0.4136    1.0479
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            227            211
# Figure of merit at the beginning and the end of the refinement
        18.9253        32.1060
# Chi-squares at the beginning and the end of the refinement
    0.0285    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    3   -0.7393   -0.0587   -0.7289   -0.0565    0.0106    1
    2   -2    4    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1   -1    1   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4   -1    3    3   -0.1917   -0.5906   -0.1976   -0.5890    0.0061    1
    5   -2    2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    3   -1    3   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7   -1    1    1    0.1243   -0.5963    0.1201   -0.5972    0.0043    1
    8   -4    2    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    3    1    3   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10   -2    0    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -3    1    3    0.5359   -0.6063    0.5314   -0.6143    0.0091    1
   12    1    1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -4   -2    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -5   -1    3    0.5275   -0.1482    0.5323   -0.1459    0.0054    1
   15    1    3    3   -0.3375   -0.2397   -0.3358   -0.2354    0.0046    1
   16   -2   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1    3    0.7221   -0.0801    0.7260   -0.0804    0.0039    1
   18   -4    0    6    1.0454   -0.4987    1.0655   -0.4953    0.0203    1
   19   -2   -4    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -1   -1    1    0.4407    0.1623    0.4436    0.1639    0.0033    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3    3    0.2963    0.3280    0.2970    0.3320    0.0041    1
   23    1   -3    3    0.0356    0.2665    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -2    4    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -1    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    3    3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5   -2    2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    3   -1    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1    1    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -4    2    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    3    1    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -2    0    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -3    1    3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    1    1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -4   -2    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -5   -1    3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1    3    3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16   -2   -2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -3   -1    3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -4    0    6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -2   -4    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1   -1    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    2    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1   -3    3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1   -3    3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.93                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2330    1.2390    2.6189   88.9567   89.4882   90.1557      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2345    1.2346    2.6245   90.0000   90.0000   90.0000      0.0000         0.4704    0.4704
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0167    0.1021    0.0000    0.0000    0.0000      0.0000         0.0183    0.0176
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4096   -0.6977   -0.0580)
 a2 = (    0.6798   -0.3849   -0.2035)
 a3 = (    0.0657   -0.0653    0.3705)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4098   -0.6964   -0.0570) (    0.0040    0.0025    0.0036)
 a2 = (    0.6828   -0.3852   -0.2038) (    0.0098    0.0062    0.0064)
 a3 = (    0.0697   -0.0711    0.3678) (    0.0047    0.0044    0.0138)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -164.3813   15.1464   44.4196    0.9351    0.4136    1.0479
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            213            211
# Figure of merit at the beginning and the end of the refinement
        16.0648        32.1060
# Chi-squares at the beginning and the end of the refinement
    0.0389    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    3   -0.7449   -0.0676   -0.7289   -0.0565    0.0195    1
    2   -4   -2    0   -0.0140   -0.1784   -0.0133   -0.1793    0.0012    1
    3    1    1    1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4   -3   -1    3   -0.1927   -0.5896   -0.1976   -0.5890    0.0050    1
    5   -2   -2    0    0.0568   -0.2274    0.0566   -0.2258    0.0016    1
    6    1    3    3   -0.1075    0.1205   -0.1046    0.1173    0.0043    1
    7   -1   -1    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -2   -4    0    0.1446   -0.2233    0.1441   -0.2219    0.0014    1
    9   -1    3    3   -0.1992    0.0491   -0.1940    0.0483    0.0052    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -3    3    0.5318   -0.6147    0.5314   -0.6143    0.0005    1
   12   -1    1    1   -0.1862   -0.0399   -0.1815   -0.0378    0.0052    1
   13    2   -4    0    0.1970   -0.0080    0.1981   -0.0091    0.0016    1
   14    1   -5    3    0.5303   -0.1513    0.5323   -0.1459    0.0057    1
   15   -3    1    3   -0.3390   -0.2435   -0.3358   -0.2354    0.0087    1
   16    2   -2    0    0.1234    0.0354    0.1256    0.0356    0.0022    1
   17    1   -3    3    0.7292   -0.0845    0.7260   -0.0804    0.0052    1
   18    0   -4    6    1.0504   -0.5183    1.0655   -0.4953    0.0276    1
   19    4   -2    0    0.0402    0.0271    0.0407    0.0272    0.0006    1
   20    1   -1    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -2    0    0   -0.0363   -0.0618   -0.0357   -0.0605    0.0014    1
   22    3   -1    3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    3    1    3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -4   -2    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    1    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -3   -1    3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5   -2   -2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1    3    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1   -1    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -2   -4    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1    3    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0   -2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1   -3    3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1    1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    2   -4    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    1   -5    3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -3    1    3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    2   -2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1   -3    3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    0   -4    6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    4   -2    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1   -1    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -2    0    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    3   -1    3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    3    1    3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.94                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2255    1.2454    2.6235   88.7770   87.8971   90.8283      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2345    1.2346    2.6245   90.0000   90.0000   90.0000      0.0000         0.4704    0.4704
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0167    0.1021    0.0000    0.0000    0.0000      0.0000         0.0183    0.0176
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4030    0.7081    0.0563)
 a2 = (   -0.6762    0.3828    0.2033)
 a3 = (    0.0711   -0.0858    0.3649)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4098    0.6964    0.0570) (    0.0040    0.0025    0.0036)
 a2 = (   -0.6828    0.3852    0.2038) (    0.0098    0.0062    0.0064)
 a3 = (    0.0697   -0.0711    0.3678) (    0.0047    0.0044    0.0138)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   15.6187   15.1464   44.4196    0.9351    0.4136    1.0479
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            199            211
# Figure of merit at the beginning and the end of the refinement
        10.1546        32.1060
# Chi-squares at the beginning and the end of the refinement
    0.2745    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    3   -0.7312   -0.0384   -0.7289   -0.0565    0.0182    1
    2    4    2    0   -0.0126   -0.1747   -0.0133   -0.1793    0.0047    1
    3   -1   -1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    3    1    3   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5    2    2    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -1   -3    3   -0.1004    0.1154   -0.1046    0.1173    0.0047    1
    7    1    1    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    2    4    0    0.1430   -0.2220    0.1441   -0.2219    0.0011    1
    9    1   -3    3   -0.1912    0.0505   -0.1940    0.0483    0.0035    1
   10    0    2    0    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11    1    3    3    0.5463   -0.6186    0.5314   -0.6143    0.0155    1
   12    1   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -2    4    0    0.1993   -0.0065    0.1981   -0.0091    0.0028    1
   14   -1    5    3    0.5375   -0.1428    0.5323   -0.1459    0.0061    1
   15    3   -1    3   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16   -2    2    0    0.1249    0.0376    0.1256    0.0356    0.0021    1
   17   -1    3    3    0.7380   -0.0609    0.7260   -0.0804    0.0228    1
   18    0    4    6    1.0989   -0.4904    1.0655   -0.4953    0.0338    1
   19   -4    2    0    0.0412    0.0287    0.0407    0.0272    0.0015    1
   20   -1    1    1    0.4354    0.1775    0.4436    0.1639    0.0159    1
   21    2    0    0   -0.0342   -0.0601   -0.0357   -0.0605    0.0016    1
   22   -3    1    3    0.2780    0.3323    0.2970    0.3320    0.0190    1
   23   -3   -1    3    0.0298    0.2579    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    4    2    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1   -1    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    3    1    3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    2    2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1   -3    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    1    1    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    2    4    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1   -3    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1    3    3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    1   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -2    4    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1    5    3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    3   -1    3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16   -2    2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1    3    3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    0    4    6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -4    2    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1    1    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    2    0    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -3    1    3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -3   -1    3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.97                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2198    1.2396    2.6481   91.6290   88.2499   90.7801      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2345    1.2346    2.6245   90.0000   90.0000   90.0000      0.0000         0.4704    0.4704
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0167    0.1021    0.0000    0.0000    0.0000      0.0000         0.0183    0.0176
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4155   -0.7048   -0.0589)
 a2 = (   -0.6862    0.3759    0.1983)
 a3 = (   -0.0704    0.0850   -0.3615)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4098   -0.6964   -0.0570) (    0.0040    0.0025    0.0036)
 a2 = (   -0.6828    0.3852    0.2038) (    0.0098    0.0062    0.0064)
 a3 = (   -0.0697    0.0711   -0.3678) (    0.0047    0.0044    0.0138)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -15.6187  164.8536 -135.5804    0.9351    0.4136    1.0479
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            400            213
# Figure of merit at the beginning and the end of the refinement
         5.0069        31.9549
# Chi-squares at the beginning and the end of the refinement
    0.1195    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -3   -0.7175   -0.0405   -0.7289   -0.0565    0.0197    1
    2   -4    2    0   -0.0143   -0.1758   -0.0133   -0.1793    0.0036    1
    3    1   -1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -3    1   -3   -0.2013   -0.5833   -0.1976   -0.5890    0.0067    1
    5   -2    2    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    1   -3   -3   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7   -1    1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -2    4    0    0.1435   -0.2185    0.1441   -0.2219    0.0035    1
    9   -1   -3   -3   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    0    2    0    0.2223   -0.1218    0.2267   -0.1283    0.0079    1
   11   -1    3   -3    0.5484   -0.6042    0.5314   -0.6143    0.0197    1
   12   -1   -1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    2    4    0    0.1888   -0.0050    0.1981   -0.0091    0.0102    1
   14    1    5   -3    0.5216   -0.1320    0.5323   -0.1459    0.0176    1
   15   -3   -1   -3   -0.3352   -0.2320   -0.3358   -0.2354    0.0035    1
   16    2    2    0    0.1163    0.0347    0.1256    0.0356    0.0094    1
   17    1    3   -3    0.7123   -0.0529    0.7260   -0.0804    0.0307    0
   18    0    4   -6    1.0782   -0.4615    1.0655   -0.4953    0.0361    1
   19    4    2    0    0.0363    0.0247    0.0407    0.0272    0.0051    1
   20    1    1   -1    0.4184    0.1679    0.4436    0.1639    0.0255    0
   21   -2    0    0   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22    3    1   -3    0.2745    0.3179    0.2970    0.3320    0.0265    0
   23    3   -1   -3    0.0323    0.2544    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2   -4    2    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -1   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -3    1   -3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5   -2    2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1   -3   -3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1    1   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8   -2    4    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1   -3   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1    3   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1   -1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    2    4    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    1    5   -3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -3   -1   -3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    2    2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1    3   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    0    4   -6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    4    2    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1    1   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21   -2    0    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    3    1   -3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    3   -1   -3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.98                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2308    1.2359    2.6306   90.8883   88.7031   90.2975      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2346    1.2345    2.6245   90.0000   90.0000   90.0000      0.0000         0.4704    0.4704
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0167    0.0982    0.0000    0.0000    0.0000      0.0000         0.0176    0.0183
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6844    0.3875    0.2049)
 a2 = (    0.4065    0.6976    0.0541)
 a3 = (   -0.0603    0.0705   -0.3688)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6828    0.3852    0.2038) (    0.0023    0.0042    0.0056)
 a2 = (    0.4098    0.6964    0.0570) (    0.0073    0.0094    0.0037)
 a3 = (   -0.0697    0.0711   -0.3678) (    0.0045    0.0043    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   74.3813  164.8536 -135.5804    0.9351    0.4136    1.0479
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            225            214
# Figure of merit at the beginning and the end of the refinement
        13.5290        31.8802
# Chi-squares at the beginning and the end of the refinement
    0.0615    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -3   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2    2    4    0   -0.0126   -0.1747   -0.0133   -0.1793    0.0046    1
    3   -1   -1   -1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4    1    3   -3   -0.1864   -0.5907   -0.1976   -0.5890    0.0113    1
    5    2    2    0    0.0574   -0.2240    0.0566   -0.2258    0.0020    1
    6   -3   -1   -3   -0.1048    0.1188   -0.1046    0.1173    0.0015    1
    7    1    1   -1    0.1269   -0.5916    0.1201   -0.5972    0.0088    1
    8    4    2    0    0.1443   -0.2208    0.1441   -0.2219    0.0012    1
    9   -3    1   -3   -0.1940    0.0497   -0.1940    0.0483    0.0014    1
   10    2    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    1   -3    0.5347   -0.6014    0.5314   -0.6143    0.0133    1
   12   -1    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    4   -2    0    0.1999   -0.0087    0.1981   -0.0091    0.0019    1
   14    5   -1   -3    0.5274   -0.1486    0.5323   -0.1459    0.0056    1
   15   -1    3   -3   -0.3372   -0.2416   -0.3358   -0.2354    0.0064    1
   16    2   -2    0    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17    3   -1   -3    0.7225   -0.0803    0.7260   -0.0804    0.0035    1
   18    4    0   -6    1.0420   -0.4941    1.0655   -0.4953    0.0236    1
   19    2   -4    0    0.0444    0.0299    0.0407    0.0272    0.0045    1
   20    1   -1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    2    0   -0.0338   -0.0579   -0.0357   -0.0605    0.0032    1
   22    1   -3   -3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23   -1   -3   -3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -3   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    2    4    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1   -1   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1    3   -3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    2    2    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -3   -1   -3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    1    1   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    4    2    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -3    1   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    2    0    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    3    1   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    4   -2    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    5   -1   -3    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1    3   -3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    2   -2    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    3   -1   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    4    0   -6    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    2   -4    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1   -1   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    2    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -3   -3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1   -3   -3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.100                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8490    1.8207    2.5879   89.8905   89.4883   90.0566      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8589    1.8097    2.5733   90.0000   90.0000   90.0000      0.0000         0.3338    0.7032
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0388    0.0587    0.0000    0.0000    0.0000      0.0000         0.0076    0.0166
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0501    0.6437    0.9852)
 a2 = (   -0.5240   -0.1486    0.0711)
 a3 = (    0.1156   -0.3079    0.2029)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0461    0.6243    0.9816) (    0.0062    0.0081    0.0053)
 a2 = (   -0.5270   -0.1502    0.0708) (    0.0120    0.0049    0.0031)
 a3 = (    0.1158   -0.3105    0.2029) (    0.0050    0.0080    0.0038)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   81.3580   58.5177   20.4476    0.3695    0.5133    0.6388
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003   -0.0013      0.0033    0.0037    0.0205

# Number of computed bands
            384            392
# Figure of merit at the beginning and the end of the refinement
         3.0747         3.5700
# Chi-squares at the beginning and the end of the refinement
    0.2074    0.0207
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    3   -0.7330   -0.0651   -0.7289   -0.0565    0.0095    1
    2    1   -1   -3   -0.0131   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -1    7   -0.0564    0.1079   -0.0241    0.0824    0.0411    0
    4    1   -1   -1   -0.1903   -0.5845   -0.1976   -0.5890    0.0086    1
    5    2    0   -6    0.0572   -0.2257    0.0566   -0.2258    0.0006    1
    6   -1   -1    7   -0.0564    0.1079   -0.1046    0.1173    0.0492    0
    7    4    0   -6    0.1197   -0.5917    0.1201   -0.5972    0.0055    1
    8    1    1   -3    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    0   -2    2   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1    3   -3    0.2262   -0.1288    0.2267   -0.1283    0.0007    1
   11    1    1   -1    0.5253   -0.6116    0.5314   -0.6143    0.0067    1
   12    1   -7    1   -0.1628   -0.0600   -0.1815   -0.0378    0.0291    0
   13    1    7   -3    0.2115   -0.0274    0.1981   -0.0091    0.0227    0
   14    1    3   -1    0.5282   -0.1537    0.5323   -0.1459    0.0088    1
   15    2   -6    0   -0.3353   -0.2401   -0.3358   -0.2354    0.0047    1
   16    0    2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    6    0    0.7281   -0.0888    0.7260   -0.0804    0.0087    1
   18    4    6    0    1.0420   -0.5244    1.0655   -0.4953    0.0374    1
   19   -1    7    3    0.0227    0.0181    0.0407    0.0272    0.0203    0
   20    1    7    1    0.4507    0.0882    0.4436    0.1639    0.0760    0
   21    1   -3   -3   -0.0353   -0.0605   -0.0357   -0.0605    0.0004    1
   22    0    2    2    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1    3    7    0.0419    0.1907    0.0342    0.2676    0.0774    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    3   -0.7286   -0.0558   -0.7289   -0.0565    0.0007    1
    2    1   -1   -3   -0.0136   -0.1764   -0.0133   -0.1793    0.0029    1
    3   -1   -1    7   -0.0570    0.1091   -0.0241    0.0824    0.0424    0
    4    1   -1   -1   -0.1973   -0.5870   -0.1976   -0.5890    0.0020    1
    5    2    0   -6    0.0572   -0.2257    0.0566   -0.2258    0.0006    1
    6   -1   -1    7   -0.0570    0.1091   -0.1046    0.1173    0.0483    0
    7    4    0   -6    0.1207   -0.5980    0.1201   -0.5972    0.0010    1
    8    1    1   -3    0.1450   -0.2214    0.1441   -0.2219    0.0010    1
    9    0   -2    2   -0.1936    0.0481   -0.1940    0.0483    0.0005    1
   10    1    3   -3    0.2261   -0.1267    0.2267   -0.1283    0.0017    1
   11    1    1   -1    0.5376   -0.6124    0.5314   -0.6143    0.0065    1
   12    1   -7    1   -0.1620   -0.0591   -0.1815   -0.0378    0.0290    0
   13    1    7   -3    0.2100   -0.0262    0.1981   -0.0091    0.0208    0
   14    1    3   -1    0.5288   -0.1471    0.5323   -0.1459    0.0037    1
   15    2   -6    0   -0.3365   -0.2360   -0.3358   -0.2354    0.0009    1
   16    0    2    0    0.1246    0.0352    0.1256    0.0356    0.0011    1
   17    2    6    0    0.7267   -0.0778    0.7260   -0.0804    0.0026    1
   18    4    6    0    1.0609   -0.5061    1.0655   -0.4953    0.0118    1
   19   -1    7    3    0.0231    0.0179    0.0407    0.0272    0.0199    0
   20    1    7    1    0.4464    0.0907    0.4436    0.1639    0.0732    0
   21    1   -3   -3   -0.0349   -0.0595   -0.0357   -0.0605    0.0013    1
   22    0    2    2    0.2957    0.3309    0.2970    0.3320    0.0017    1
   23   -1    3    7    0.0428    0.1910    0.0342    0.2676    0.0771    0

###            No.101                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8550    1.8143    2.5787   90.1127   89.6495   90.4413      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8589    1.8097    2.5733   90.0000   90.0000   90.0000      0.0000         0.3338    0.7032
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0388    0.0587    0.0000    0.0000    0.0000      0.0000         0.0076    0.0166
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0520   -0.6230   -0.9885)
 a2 = (    0.5258    0.1491   -0.0714)
 a3 = (    0.1160   -0.3090    0.2036)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0461   -0.6243   -0.9816) (    0.0062    0.0081    0.0053)
 a2 = (    0.5270    0.1502   -0.0708) (    0.0120    0.0049    0.0031)
 a3 = (    0.1158   -0.3105    0.2029) (    0.0050    0.0080    0.0038)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -98.6420   58.5177   20.4476    0.3695    0.5133    0.6388
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003   -0.0013      0.0033    0.0037    0.0205

# Number of computed bands
            388            392
# Figure of merit at the beginning and the end of the refinement
         3.3663         3.5700
# Chi-squares at the beginning and the end of the refinement
    0.1287    0.0207
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    3   -0.7351   -0.0563   -0.7289   -0.0565    0.0062    1
    2   -1    1   -3   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1    1    7   -0.0572    0.1085   -0.0241    0.0824    0.0421    0
    4   -1    1   -1   -0.1969   -0.5949   -0.1976   -0.5890    0.0060    1
    5   -2    0   -6    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6    1    1    7   -0.0572    0.1085   -0.1046    0.1173    0.0483    0
    7   -4    0   -6    0.1254   -0.6027    0.1201   -0.5972    0.0076    1
    8   -1   -1   -3    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    0    2    2   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1   -3   -3    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11   -1   -1   -1    0.5430   -0.6126    0.5314   -0.6143    0.0116    1
   12   -1    7    1   -0.1635   -0.0593   -0.1815   -0.0378    0.0281    0
   13   -1   -7   -3    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14   -1   -3   -1    0.5314   -0.1475    0.5323   -0.1459    0.0018    1
   15   -2    6    0   -0.3402   -0.2387   -0.3358   -0.2354    0.0055    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -6    0    0.7296   -0.0786    0.7260   -0.0804    0.0040    1
   18   -4   -6    0    1.0633   -0.5050    1.0655   -0.4953    0.0100    1
   19    1   -7    3    0.0228    0.0181    0.0407    0.0272    0.0201    0
   20   -1   -7    1    0.4494    0.0907    0.4436    0.1639    0.0734    0
   21   -1    3   -3   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22    0   -2    2    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    1   -3    7    0.0423    0.1920    0.0342    0.2676    0.0761    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    3   -0.7286   -0.0558   -0.7289   -0.0565    0.0007    1
    2   -1    1   -3   -0.0136   -0.1764   -0.0133   -0.1793    0.0029    1
    3    1    1    7   -0.0570    0.1091   -0.0241    0.0824    0.0424    0
    4   -1    1   -1   -0.1973   -0.5870   -0.1976   -0.5890    0.0020    1
    5   -2    0   -6    0.0572   -0.2257    0.0566   -0.2258    0.0006    1
    6    1    1    7   -0.0570    0.1091   -0.1046    0.1173    0.0483    0
    7   -4    0   -6    0.1207   -0.5980    0.1201   -0.5972    0.0010    1
    8   -1   -1   -3    0.1450   -0.2214    0.1441   -0.2219    0.0010    1
    9    0    2    2   -0.1936    0.0481   -0.1940    0.0483    0.0005    1
   10   -1   -3   -3    0.2261   -0.1267    0.2267   -0.1283    0.0017    1
   11   -1   -1   -1    0.5376   -0.6124    0.5314   -0.6143    0.0065    1
   12   -1    7    1   -0.1620   -0.0591   -0.1815   -0.0378    0.0290    0
   13   -1   -7   -3    0.2100   -0.0262    0.1981   -0.0091    0.0208    0
   14   -1   -3   -1    0.5288   -0.1471    0.5323   -0.1459    0.0037    1
   15   -2    6    0   -0.3365   -0.2360   -0.3358   -0.2354    0.0009    1
   16    0   -2    0    0.1246    0.0352    0.1256    0.0356    0.0011    1
   17   -2   -6    0    0.7267   -0.0778    0.7260   -0.0804    0.0026    1
   18   -4   -6    0    1.0609   -0.5061    1.0655   -0.4953    0.0118    1
   19    1   -7    3    0.0231    0.0179    0.0407    0.0272    0.0199    0
   20   -1   -7    1    0.4464    0.0907    0.4436    0.1639    0.0732    0
   21   -1    3   -3   -0.0349   -0.0595   -0.0357   -0.0605    0.0013    1
   22    0   -2    2    0.2957    0.3309    0.2970    0.3320    0.0017    1
   23    1   -3    7    0.0428    0.1910    0.0342    0.2676    0.0771    0

###            No.102                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8510    1.8185    2.5847   89.8901   89.9141   90.1156      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8589    1.8097    2.5733   90.0000   90.0000   90.0000      0.0000         0.3338    0.7032
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0388    0.0587    0.0000    0.0000    0.0000      0.0000         0.0076    0.0166
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0430    0.6333    0.9888)
 a2 = (    0.5246    0.1488   -0.0712)
 a3 = (   -0.1158    0.3082   -0.2031)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0461    0.6243    0.9816) (    0.0062    0.0081    0.0053)
 a2 = (    0.5270    0.1502   -0.0708) (    0.0120    0.0049    0.0031)
 a3 = (   -0.1158    0.3105   -0.2029) (    0.0050    0.0080    0.0038)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   98.6420  121.4823 -159.5524    0.3695    0.5133    0.6388
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003   -0.0013      0.0033    0.0037    0.0205

# Number of computed bands
            388            392
# Figure of merit at the beginning and the end of the refinement
         3.2090         3.5700
# Chi-squares at the beginning and the end of the refinement
    0.1203    0.0207
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3   -3   -0.7323   -0.0604   -0.7289   -0.0565    0.0052    1
    2    1    1    3   -0.0141   -0.1794   -0.0133   -0.1793    0.0009    1
    3   -1    1   -7   -0.0562    0.1077   -0.0241    0.0824    0.0408    0
    4    1    1    1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    2    0    6    0.0574   -0.2291    0.0566   -0.2258    0.0034    1
    6   -1    1   -7   -0.0562    0.1077   -0.1046    0.1173    0.0494    0
    7    4    0    6    0.1188   -0.6009    0.1201   -0.5972    0.0039    1
    8    1   -1    3    0.1460   -0.2249    0.1441   -0.2219    0.0035    1
    9    0    2   -2   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -3    3    0.2286   -0.1294    0.2267   -0.1283    0.0022    1
   11    1   -1    1    0.5345   -0.6201    0.5314   -0.6143    0.0066    1
   12    1    7   -1   -0.1635   -0.0597   -0.1815   -0.0378    0.0284    0
   13    1   -7    3    0.2126   -0.0270    0.1981   -0.0091    0.0230    0
   14    1   -3    1    0.5332   -0.1524    0.5323   -0.1459    0.0065    1
   15    2    6    0   -0.3382   -0.2385   -0.3358   -0.2354    0.0040    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -6    0    0.7339   -0.0849    0.7260   -0.0804    0.0091    1
   18    4   -6    0    1.0611   -0.5244    1.0655   -0.4953    0.0295    1
   19   -1   -7   -3    0.0223    0.0176    0.0407    0.0272    0.0208    0
   20    1   -7   -1    0.4517    0.0899    0.4436    0.1639    0.0744    0
   21    1    3    3   -0.0362   -0.0613   -0.0357   -0.0605    0.0010    1
   22    0   -2   -2    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1   -3   -7    0.0424    0.1904    0.0342    0.2676    0.0777    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3   -3   -0.7286   -0.0558   -0.7289   -0.0565    0.0007    1
    2    1    1    3   -0.0136   -0.1764   -0.0133   -0.1793    0.0029    1
    3   -1    1   -7   -0.0570    0.1091   -0.0241    0.0824    0.0424    0
    4    1    1    1   -0.1973   -0.5870   -0.1976   -0.5890    0.0020    1
    5    2    0    6    0.0572   -0.2257    0.0566   -0.2258    0.0006    1
    6   -1    1   -7   -0.0570    0.1091   -0.1046    0.1173    0.0483    0
    7    4    0    6    0.1207   -0.5980    0.1201   -0.5972    0.0010    1
    8    1   -1    3    0.1450   -0.2214    0.1441   -0.2219    0.0010    1
    9    0    2   -2   -0.1936    0.0481   -0.1940    0.0483    0.0005    1
   10    1   -3    3    0.2261   -0.1267    0.2267   -0.1283    0.0017    1
   11    1   -1    1    0.5376   -0.6124    0.5314   -0.6143    0.0065    1
   12    1    7   -1   -0.1620   -0.0591   -0.1815   -0.0378    0.0290    0
   13    1   -7    3    0.2100   -0.0262    0.1981   -0.0091    0.0208    0
   14    1   -3    1    0.5288   -0.1471    0.5323   -0.1459    0.0037    1
   15    2    6    0   -0.3365   -0.2360   -0.3358   -0.2354    0.0009    1
   16    0   -2    0    0.1246    0.0352    0.1256    0.0356    0.0011    1
   17    2   -6    0    0.7267   -0.0778    0.7260   -0.0804    0.0026    1
   18    4   -6    0    1.0609   -0.5061    1.0655   -0.4953    0.0118    1
   19   -1   -7   -3    0.0231    0.0179    0.0407    0.0272    0.0199    0
   20    1   -7   -1    0.4464    0.0907    0.4436    0.1639    0.0732    0
   21    1    3    3   -0.0349   -0.0595   -0.0357   -0.0605    0.0013    1
   22    0   -2   -2    0.2957    0.3309    0.2970    0.3320    0.0017    1
   23   -1   -3   -7    0.0428    0.1910    0.0342    0.2676    0.0771    0

###            No.103                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8753    1.7800    2.5679   90.0818   89.0787   90.4898      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8613    1.8044    2.5739   90.0000   90.0000   90.0000      0.0000         0.3346    0.7010
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0376    0.0583    0.0000    0.0000    0.0000      0.0000         0.0076    0.0165
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0230   -0.6209   -0.9590)
 a2 = (   -0.5350   -0.1518    0.0797)
 a3 = (   -0.1190    0.3134   -0.1983)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0446   -0.6245   -0.9778) (    0.0062    0.0080    0.0052)
 a2 = (   -0.5286   -0.1503    0.0719) (    0.0117    0.0049    0.0030)
 a3 = (   -0.1159    0.3101   -0.2033) (    0.0050    0.0080    0.0037)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -81.2404  121.5574 -159.5110    0.3562    0.5112    0.6312
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0001   -0.0066      0.0032    0.0036    0.0202

# Number of computed bands
            400            392
# Figure of merit at the beginning and the end of the refinement
         2.2485         3.4898
# Chi-squares at the beginning and the end of the refinement
    0.8484    0.0943
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3   -3   -0.6747   -0.0473   -0.7289   -0.0565    0.0549    0
    2   -1   -1    3   -0.0149   -0.1647   -0.0133   -0.1793    0.0147    1
    3    1   -1   -7   -0.0538    0.1031   -0.0241    0.0824    0.0362    0
    4   -1   -1    1   -0.2007   -0.5544   -0.1976   -0.5890    0.0347    0
    5   -2    0    6    0.0536   -0.2202    0.0566   -0.2258    0.0063    1
    6    1   -1   -7   -0.0538    0.1031   -0.1046    0.1173    0.0528    0
    7   -4    0    6    0.1083   -0.5864    0.1201   -0.5972    0.0160    1
    8   -1    1    3    0.1438   -0.2216    0.1441   -0.2219    0.0004    1
    9    0   -2   -2   -0.1709    0.0422   -0.1940    0.0483    0.0240    0
   10   -1    3    3    0.2319   -0.1292    0.2267   -0.1283    0.0053    1
   11   -1    1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1   -7   -1   -0.1384   -0.0494   -0.1815   -0.0378    0.0446    0
   13   -1    7    3    0.2203   -0.0266    0.1981   -0.0091    0.0283    0
   14   -1    3    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -2   -6    0   -0.3111   -0.2116   -0.3358   -0.2354    0.0343    0
   16    0    2    0    0.1379    0.0391    0.1256    0.0356    0.0128    1
   17   -2    6    0    0.7284   -0.0741    0.7260   -0.0804    0.0067    1
   18   -4    6    0    1.0649   -0.5072    1.0655   -0.4953    0.0120    1
   19    1    7   -3    0.0358    0.0279    0.0407    0.0272    0.0050    1
   20   -1    7   -1    0.4508    0.0932    0.4436    0.1639    0.0710    0
   21   -1   -3    3   -0.0275   -0.0453   -0.0357   -0.0605    0.0173    1
   22    0    2   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    3   -7    0.0445    0.1941    0.0342    0.2676    0.0742    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3   -3   -0.7265   -0.0560   -0.7289   -0.0565    0.0024    1
    2   -1   -1    3   -0.0135   -0.1737   -0.0133   -0.1793    0.0056    1
    3    1    1   -5   -0.0016    0.0477   -0.0241    0.0824    0.0414    0
    4   -1   -1    1   -0.1979   -0.5847   -0.1976   -0.5890    0.0043    1
    5   -2    0    6    0.0569   -0.2240    0.0566   -0.2258    0.0018    1
    6    1   -1   -7   -0.0580    0.1115   -0.1046    0.1173    0.0470    0
    7   -4    0    6    0.1202   -0.5977    0.1201   -0.5972    0.0005    1
    8   -1    1    3    0.1449   -0.2205    0.1441   -0.2219    0.0016    1
    9    0   -2   -2   -0.1930    0.0478   -0.1940    0.0483    0.0012    1
   10   -1    3    3    0.2269   -0.1265    0.2267   -0.1283    0.0018    1
   11   -1    1    1    0.5391   -0.6132    0.5314   -0.6143    0.0077    1
   12   -1   -7   -1   -0.1595   -0.0581   -0.1815   -0.0378    0.0300    0
   13   -1    7    3    0.2115   -0.0260    0.1981   -0.0091    0.0216    0
   14   -1    3    1    0.5306   -0.1469    0.5323   -0.1459    0.0020    1
   15   -2   -6    0   -0.3343   -0.2337   -0.3358   -0.2354    0.0022    1
   16    0    2    0    0.1271    0.0359    0.1256    0.0356    0.0015    1
   17   -2    6    0    0.7291   -0.0776    0.7260   -0.0804    0.0041    1
   18   -4    6    0    1.0640   -0.5068    1.0655   -0.4953    0.0117    1
   19    1    7   -3    0.0258    0.0199    0.0407    0.0272    0.0166    1
   20   -1    7   -1    0.4491    0.0912    0.4436    0.1639    0.0729    0
   21   -1   -3    3   -0.0331   -0.0565   -0.0357   -0.0605    0.0048    1
   22    0    2   -2    0.2994    0.3336    0.2970    0.3320    0.0029    1
   23    1    3   -7    0.0443    0.1950    0.0342    0.2676    0.0733    0

###            No.104                ###
# Bravais type
 Orthorhombic(F)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8591    1.8111    2.5710   90.1308   89.6923   90.1133      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8516    1.8226    2.5769   90.0000   90.0000   90.0000      0.0000         0.3305    0.7073
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0343    0.0619    0.0000    0.0000    0.0000      0.0000         0.0079    0.0153
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6382    0.3732   -0.8992)
 a2 = (    0.1307   -0.5217   -0.1252)
 a3 = (   -0.3131   -0.0243   -0.2296)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6417    0.3806   -0.9067) (    0.0096    0.0059    0.0066)
 a2 = (    0.1307   -0.5180   -0.1249) (    0.0050    0.0097    0.0036)
 a3 = (   -0.3115   -0.0231   -0.2302) (    0.0090    0.0036    0.0040)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -106.4240  126.3853  -85.7530    0.4107    0.5169    0.5994
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0005   -0.0010    0.0054      0.0036    0.0031    0.0151

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.0447         3.2044
# Chi-squares at the beginning and the end of the refinement
    0.0847    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -2   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -7   -3   -0.0256   -0.1583   -0.0133   -0.1793    0.0243    0
    3   -1    7   -1   -0.0091    0.0618   -0.0241    0.0824    0.0255    0
    4    0   -2   -2   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0   -2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    2   -2   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -1   -7   -1    0.1997   -0.5321    0.1201   -0.5972    0.1028    0
    8   -1   -7    3    0.1643   -0.2113    0.1441   -0.2219    0.0228    0
    9    1    1   -7   -0.1968   -0.0014   -0.1940    0.0483    0.0498    0
   10   -1   -3    3    0.2249   -0.1278    0.2267   -0.1283    0.0018    1
   11   -2   -6    0    0.5291   -0.6122    0.5314   -0.6143    0.0031    1
   12    1    1   -7   -0.1968   -0.0014   -0.1815   -0.0378    0.0394    0
   13   -1   -1    3    0.1961   -0.0087    0.1981   -0.0091    0.0020    1
   14   -4   -6    6    0.5265   -0.1506    0.5323   -0.1459    0.0074    1
   15    1   -3   -7   -0.2543   -0.2199   -0.3358   -0.2354    0.0830    0
   16   -2    0    6    0.1236    0.0349    0.1256    0.0356    0.0021    1
   17   -1   -1    1    0.7250   -0.0833    0.7260   -0.0804    0.0031    1
   18   -4   -6    0    1.0501   -0.5153    1.0655   -0.4953    0.0252    1
   19   -1    1    3    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20   -4    0    6    0.4406    0.1629    0.4436    0.1639    0.0031    1
   21    1   -3   -3   -0.0359   -0.0609   -0.0357   -0.0605    0.0004    1
   22   -1    1    1    0.2943    0.3296    0.2970    0.3320    0.0036    1
   23   -2    6    0    0.0338    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -2   -0.7314   -0.0553   -0.7289   -0.0565    0.0027    1
    2    1   -7   -3   -0.0259   -0.1575   -0.0133   -0.1793    0.0252    0
    3   -1    7   -1   -0.0099    0.0632   -0.0241    0.0824    0.0239    0
    4    0   -2   -2   -0.1967   -0.5881   -0.1976   -0.5890    0.0013    1
    5    0   -2    0    0.0564   -0.2264    0.0566   -0.2258    0.0007    1
    6    0    2   -2   -0.1057    0.1167   -0.1046    0.1173    0.0012    1
    7   -1   -7   -1    0.2031   -0.5354    0.1201   -0.5972    0.1035    0
    8   -1   -7    3    0.1653   -0.2124    0.1441   -0.2219    0.0233    0
    9    1    1   -7   -0.1958   -0.0026   -0.1940    0.0483    0.0510    0
   10   -1   -3    3    0.2265   -0.1283    0.2267   -0.1283    0.0002    1
   11   -2   -6    0    0.5382   -0.6124    0.5314   -0.6143    0.0070    1
   12    1    1   -7   -0.1958   -0.0026   -0.1815   -0.0378    0.0379    0
   13   -1   -1    3    0.1978   -0.0089    0.1981   -0.0091    0.0004    1
   14   -4   -6    6    0.5293   -0.1479    0.5323   -0.1459    0.0035    1
   15    1   -3   -7   -0.2538   -0.2195   -0.3358   -0.2354    0.0836    0
   16   -2    0    6    0.1256    0.0350    0.1256    0.0356    0.0006    1
   17   -1   -1    1    0.7267   -0.0777    0.7260   -0.0804    0.0027    1
   18   -4   -6    0    1.0606   -0.5031    1.0655   -0.4953    0.0092    1
   19   -1    1    3    0.0428    0.0280    0.0407    0.0272    0.0022    1
   20   -4    0    6    0.4410    0.1643    0.4436    0.1639    0.0026    1
   21    1   -3   -3   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1    1    1    0.2952    0.3303    0.2970    0.3320    0.0024    1
   23   -2    6    0    0.0342    0.2680    0.0342    0.2676    0.0004    1

###                                ###
### Candidates for Orthorhombic(I) ###
###                                ###

###            No.1                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2484    1.2652    1.2665   89.9901   91.0776   90.1990      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2642    1.2588    1.2568   90.0000   90.0000   90.0000      0.0000         1.0059    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0513    0.0545    0.0000    0.0000    0.0000      0.0000         0.0436    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1605    0.1429   -0.7719)
 a2 = (    0.1875   -0.7464   -0.1800)
 a3 = (   -0.7534   -0.2137    0.1017)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1445    0.1471   -0.7636) (    0.0054    0.0048    0.0017)
 a2 = (    0.1887   -0.7503   -0.1802) (    0.0090    0.0315    0.0049)
 a3 = (   -0.7591   -0.2155    0.1021) (    0.0337    0.0092    0.0038)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2255   82.6263  -74.1539    0.4150    0.3230    0.3529
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0022    0.0023    0.0410

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         7.9763        51.5242
# Chi-squares at the beginning and the end of the refinement
    0.6456    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3   -1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1    3    0   -0.0271    0.0891   -0.0241    0.0824    0.0073    1
    4   -1   -2   -1   -0.2029   -0.5889   -0.1976   -0.5890    0.0053    1
    5    0   -2    0    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6   -1    2   -1   -0.1085    0.1197   -0.1046    0.1173    0.0046    1
    7   -1   -3    0    0.1158   -0.6036    0.1201   -0.5972    0.0077    1
    8    0   -3    1    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9   -1    1   -2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1    0   -3   -0.1850   -0.0381   -0.1815   -0.0378    0.0035    1
   13    0   -1    3    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -1   -2    3    0.5366   -0.1537    0.5323   -0.1459    0.0088    1
   15   -1   -1   -2   -0.3405   -0.2372   -0.3358   -0.2354    0.0051    1
   16    0    0    2    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -1   -1    2    0.7433   -0.0854    0.7260   -0.0804    0.0180    1
   18   -2   -2    2    1.0803   -0.5396    1.0655   -0.4953    0.0468    0
   19    0    1    3    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -1    0    3    0.4501    0.1681    0.4436    0.1639    0.0078    1
   21    0   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1    2    0.2995    0.3403    0.2970    0.3320    0.0087    1
   23   -1    2    1    0.0323    0.2739    0.0342    0.2676    0.0065    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0555   -0.7289   -0.0565    0.0010    1
    2    0   -3   -1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -1    3    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -2   -1   -0.1964   -0.5869   -0.1976   -0.5890    0.0024    1
    5    0   -2    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    2   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1   -3    0    0.1201   -0.5975    0.1201   -0.5972    0.0003    1
    8    0   -3    1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    1   -2   -0.1926    0.0483   -0.1940    0.0483    0.0015    1
   10    0   -1    1    0.2267   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -2    1    0.5351   -0.6137    0.5314   -0.6143    0.0037    1
   12   -1    0   -3   -0.1811   -0.0377   -0.1815   -0.0378    0.0005    1
   13    0   -1    3    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14   -1   -2    3    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15   -1   -1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    0    2    0.1251    0.0351    0.1256    0.0356    0.0008    1
   17   -1   -1    2    0.7277   -0.0805    0.7260   -0.0804    0.0017    1
   18   -2   -2    2    1.0583   -0.5110    1.0655   -0.4953    0.0173    1
   19    0    1    3    0.0422    0.0276    0.0407    0.0272    0.0015    1
   20   -1    0    3    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    0   -1   -1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22   -1    1    2    0.2955    0.3305    0.2970    0.3320    0.0022    1
   23   -1    2    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.2                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2500    1.2561    1.2744   90.9756   91.1881   89.0097      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2588    1.2642    1.2568   90.0000   90.0000   90.0000      0.0000         1.0016    1.0059
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0515    0.0185    0.0000    0.0000    0.0000      0.0000         0.0147    0.0436
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1894    0.7561    0.1814)
 a2 = (    0.1625   -0.1568    0.7637)
 a3 = (    0.7449    0.2271   -0.0983)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1887    0.7503    0.1802) (    0.0044    0.0016    0.0055)
 a2 = (    0.1445   -0.1471    0.7636) (    0.0104    0.0098    0.0298)
 a3 = (    0.7591    0.2155   -0.1021) (    0.0115    0.0052    0.0045)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2255   97.3737  105.8461    0.4150    0.3230    0.3529
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0022    0.0023    0.0410

# Number of computed bands
            400             92
# Figure of merit at the beginning and the end of the refinement
         3.3930        51.2434
# Chi-squares at the beginning and the end of the refinement
    0.6123    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    0    1   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3   -3    1    0   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4    2    1    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    1    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3    1    0    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    3    0   -1    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1    1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    1    3   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    1    0   -3    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    2    1   -3    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    1    1    2   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    0    0   -2    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    1    1   -2    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    3    3   -4    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19   -1    0   -3    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    0    1   -3    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    1    0    1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22   -1    1   -2    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23   -2    1   -1    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7289   -0.0555   -0.7289   -0.0565    0.0010    1
    2    3    0    1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2    1    1   -0.1964   -0.5869   -0.1976   -0.5890    0.0024    1
    5    2    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2    1    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    3    1    0    0.1201   -0.5975    0.1201   -0.5972    0.0003    1
    8    3    0   -1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    1    2   -0.1926    0.0483   -0.1940    0.0483    0.0015    1
   10    1    0   -1    0.2267   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    1   -1    0.5351   -0.6137    0.5314   -0.6143    0.0037    1
   12    0    1    3   -0.1811   -0.0377   -0.1815   -0.0378    0.0005    1
   13    1    0   -3    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    2    1   -3    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15    1    1    2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    0   -2    0.1251    0.0351    0.1256    0.0356    0.0008    1
   17    1    1   -2    0.7277   -0.0805    0.7260   -0.0804    0.0017    1
   18    2    2   -2    1.0583   -0.5110    1.0655   -0.4953    0.0173    1
   19   -1    0   -3    0.0422    0.0276    0.0407    0.0272    0.0015    1
   20    0    1   -3    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    1    0    1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22   -1    1   -2    0.2955    0.3305    0.2970    0.3320    0.0022    1
   23   -2    1   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.4                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2453    1.2466    1.2890   91.7869   89.8308   89.9952      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2588    1.2568    1.2642   90.0000   90.0000   90.0000      0.0000         0.9957    0.9941
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0185    0.0515    0.0000    0.0000    0.0000      0.0000         0.0406    0.0431
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1905    0.7585    0.1823)
 a2 = (    0.7656    0.2172   -0.1039)
 a3 = (   -0.1189    0.1486   -0.7525)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1887    0.7503    0.1802) (    0.0044    0.0016    0.0055)
 a2 = (    0.7591    0.2155   -0.1021) (    0.0115    0.0052    0.0045)
 a3 = (   -0.1445    0.1471   -0.7636) (    0.0104    0.0098    0.0298)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  119.4943  164.8899 -135.5156    0.9573    0.4598    1.0592
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0022    0.0023    0.0410

# Number of computed bands
            400             95
# Figure of merit at the beginning and the end of the refinement
         5.4164        50.4278
# Chi-squares at the beginning and the end of the refinement
    0.2205    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1    0   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -3    0   -1   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    2    1   -1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -2    1   -1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7    3    0   -1    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8    3   -1    0    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    2   -1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1   -1    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    0    3   -1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -3    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -3   -1    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    1    2   -1   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -2   -1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18    2   -2   -2    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19   -1   -3    0    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -3   -1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -2   -1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -2   -1   -1    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7289   -0.0555   -0.7289   -0.0565    0.0010    1
    2    3    1    0   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    0   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2    1   -1   -0.1964   -0.5869   -0.1976   -0.5890    0.0024    1
    5    2    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2    1   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    3    0   -1    0.1201   -0.5975    0.1201   -0.5972    0.0003    1
    8    3   -1    0    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    2   -1   -0.1926    0.0483   -0.1940    0.0483    0.0015    1
   10    1   -1    0    0.2267   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -1   -1    0.5351   -0.6137    0.5314   -0.6143    0.0037    1
   12    0    3   -1   -0.1811   -0.0377   -0.1815   -0.0378    0.0005    1
   13    1   -3    0    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    2   -3   -1    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15    1    2   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1251    0.0351    0.1256    0.0356    0.0008    1
   17    1   -2   -1    0.7277   -0.0805    0.7260   -0.0804    0.0017    1
   18    2   -2   -2    1.0583   -0.5110    1.0655   -0.4953    0.0173    1
   19   -1   -3    0    0.0422    0.0276    0.0407    0.0272    0.0015    1
   20    0   -3   -1    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    1    1    0   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22   -1   -2   -1    0.2955    0.3305    0.2970    0.3320    0.0022    1
   23   -2   -1   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.6                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2544    1.2552    1.2704   89.5975   90.9182   90.0989      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2608    1.2555    1.2635   90.0000   90.0000   90.0000      0.0000         0.9979    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0176    0.0473    0.0000    0.0000    0.0000      0.0000         0.0374    0.0398
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1887   -0.7532   -0.1807)
 a2 = (   -0.7601   -0.2161    0.1017)
 a3 = (   -0.1351    0.1360   -0.7636)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1888   -0.7490   -0.1803) (    0.0043    0.0015    0.0051)
 a2 = (   -0.7598   -0.2161    0.1020) (    0.0110    0.0049    0.0043)
 a3 = (   -0.1445    0.1475   -0.7641) (    0.0095    0.0091    0.0275)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.6040  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             89             91
# Figure of merit at the beginning and the end of the refinement
        22.5666        49.9620
# Chi-squares at the beginning and the end of the refinement
    0.0430    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7336   -0.0656   -0.7289   -0.0565    0.0103    1
    2   -3   -1    0   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3    3    0   -1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -2   -1   -1   -0.1902   -0.5829   -0.1976   -0.5890    0.0095    1
    5   -2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    0   -1    0.1198   -0.5906    0.1201   -0.5972    0.0066    1
    8   -3    1    0    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9    1   -2   -1   -0.1939    0.0481   -0.1940    0.0483    0.0003    1
   10   -1    1    0    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11   -2    1   -1    0.5261   -0.6059    0.5314   -0.6143    0.0099    1
   12    0   -3   -1   -0.1817   -0.0385   -0.1815   -0.0378    0.0008    1
   13   -1    3    0    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14   -2    3   -1    0.5240   -0.1500    0.5323   -0.1459    0.0092    1
   15   -1   -2   -1   -0.3341   -0.2391   -0.3358   -0.2354    0.0041    1
   16    0    2    0    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17   -1    2   -1    0.7193   -0.0845    0.7260   -0.0804    0.0079    1
   18   -2    2   -2    1.0343   -0.5098    1.0655   -0.4953    0.0344    1
   19    1    3    0    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20    0    3   -1    0.4394    0.1607    0.4436    0.1639    0.0052    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -1    0.2960    0.3270    0.2970    0.3320    0.0052    1
   23    2    1   -1    0.0355    0.2663    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -3   -1    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    3    0   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2   -1   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    2   -1   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    0   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -3    1    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1   -2   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -2    1   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    0   -3   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -1    3    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -2    3   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -1   -2   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    2    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1    2   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2    2   -2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    1    3    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    3   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    2   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    2    1   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.8                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2568    1.2581    1.2649   90.0613   90.1118   89.8723      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2555    1.2608    1.2635   90.0000   90.0000   90.0000      0.0000         0.9937    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0176    0.0506    0.0000    0.0000    0.0000      0.0000         0.0398    0.0374
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7590    0.2153   -0.1030)
 a2 = (   -0.1900    0.7501    0.1817)
 a3 = (    0.1468   -0.1468    0.7629)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7598    0.2161   -0.1020) (    0.0016    0.0045    0.0042)
 a2 = (   -0.1888    0.7490    0.1803) (    0.0053    0.0102    0.0062)
 a3 = (    0.1445   -0.1475    0.7641) (    0.0099    0.0095    0.0294)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -29.3960   15.1212   44.4173    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             93             91
# Figure of merit at the beginning and the end of the refinement
        41.3294        49.9620
# Chi-squares at the beginning and the end of the refinement
    0.0275    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7244   -0.0548   -0.7289   -0.0565    0.0048    1
    2    1    3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -3    1   -0.0249    0.0834   -0.0241    0.0824    0.0012    1
    4    1    2    1   -0.1966   -0.5864   -0.1976   -0.5890    0.0027    1
    5    0    2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1   -2    1   -0.1029    0.1146   -0.1046    0.1173    0.0032    1
    7    0    3    1    0.1202   -0.5976    0.1201   -0.5972    0.0005    1
    8   -1    3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2   -1    1   -0.1902    0.0478   -0.1940    0.0483    0.0038    1
   10   -1    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    2    1    0.5350   -0.6137    0.5314   -0.6143    0.0036    1
   12    3    0    1   -0.1796   -0.0370   -0.1815   -0.0378    0.0021    1
   13   -3    1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3    2    1    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15    2    1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1    1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2    2    2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -3   -1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    0    1    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2   -1    1    0.2945    0.3309    0.2970    0.3320    0.0027    1
   23   -1   -2    1    0.0331    0.2656    0.0342    0.2676    0.0023    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    1    3    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -3    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    2    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1   -2    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    3    1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1    3    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    2   -1    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1    2    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    3    0    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3    1    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3    2    1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    2    1    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -2    1    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2    2    2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -3   -1    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3    0    1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    1    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2   -1    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1   -2    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.9                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2574    1.2581    1.2644   89.9936   90.1056   90.0101      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2608    1.2555    1.2635   90.0000   90.0000   90.0000      0.0000         0.9979    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0176    0.0473    0.0000    0.0000    0.0000      0.0000         0.0374    0.0398
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1887   -0.7512   -0.1806)
 a2 = (    0.7583    0.2151   -0.1029)
 a3 = (    0.1456   -0.1484    0.7631)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1888   -0.7490   -0.1803) (    0.0043    0.0015    0.0051)
 a2 = (    0.7598    0.2161   -0.1020) (    0.0110    0.0049    0.0043)
 a3 = (    0.1445   -0.1475    0.7641) (    0.0095    0.0091    0.0275)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -119.3960   15.1212   44.4173    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             83             91
# Figure of merit at the beginning and the end of the refinement
        46.4461        49.9620
# Chi-squares at the beginning and the end of the refinement
    0.0273    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2   -3    1    0   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    3    0    1   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4   -2    1    1   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5   -2    0    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2    1    1   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7   -3    0    1    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8   -3   -1    0    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1    2    1   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -1    1    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12    0    3    1   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13   -1   -3    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2   -3    1    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15   -1    2    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -2    1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2   -2    2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    1   -3    0    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -3    1    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21   -1    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1   -2    1    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23    2   -1    1    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -3    1    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    3    0    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    1    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    2    1    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    0    1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -3   -1    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1    2    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -1   -1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -2   -1    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    0    3    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -1   -3    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -2   -3    1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -1    2    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0   -2    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1   -2    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2   -2    2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    1   -3    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0   -3    1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1   -2    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    2   -1    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.12                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2591    1.2603    1.2604   89.9627   90.1273   89.6072      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2555    1.2635    1.2608   90.0000   90.0000   90.0000      0.0000         0.9959    1.0021
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0506    0.0176    0.0000    0.0000    0.0000      0.0000         0.0139    0.0375
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7576    0.2149   -0.1028)
 a2 = (    0.1407   -0.1495    0.7665)
 a3 = (    0.1896   -0.7488   -0.1814)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7598    0.2161   -0.1020) (    0.0016    0.0045    0.0042)
 a2 = (    0.1445   -0.1475    0.7641) (    0.0099    0.0095    0.0294)
 a3 = (    0.1888   -0.7490   -0.1803) (    0.0053    0.0102    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5553  103.1367   14.1501    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             95             91
# Figure of merit at the beginning and the end of the refinement
        42.4242        49.9620
# Chi-squares at the beginning and the end of the refinement
    0.0292    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2    1    0   -3   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    1    3   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1   -2   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5    0    0   -2    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    1    2   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    0    1   -3    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8   -1    0   -3    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2    1    1   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10   -1    0   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    1   -2    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12    3    1    0   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -3    0   -1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3    1   -2    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15    2    1   -1   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1   -1    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18   -2    2   -2    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19   -3    0    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    1    0    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21    1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1    1    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23   -1    1    2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    1    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    1    3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1   -2   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0   -2    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    1    2   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    1   -3    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    2    1    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -1    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1    1   -2    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    3    1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3    1   -2    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    2    1   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -2    1   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2    2   -2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -3    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3    1    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    1    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2    1    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1    1    2    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.15                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2481    1.2656    1.2664   89.9354   90.9756   89.8824      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2635    1.2608    1.2555   90.0000   90.0000   90.0000      0.0000         1.0063    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0472    0.0503    0.0000    0.0000    0.0000      0.0000         0.0403    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1600   -0.1434    0.7720)
 a2 = (    0.1870   -0.7465   -0.1791)
 a3 = (    0.7533    0.2142   -0.1023)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1445   -0.1475    0.7641) (    0.0050    0.0046    0.0015)
 a2 = (    0.1888   -0.7490   -0.1803) (    0.0085    0.0289    0.0048)
 a3 = (    0.7598    0.2161   -0.1020) (    0.0311    0.0087    0.0038)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2477   97.3565  105.8767    0.3874    0.3013    0.3456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         7.7680        49.9620
# Chi-squares at the beginning and the end of the refinement
    0.6077    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3    1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1    3    0   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4    1   -2    1   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5    0   -2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2    1   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7    1   -3    0    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8    0   -3   -1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    0    3   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13    0   -1   -3    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1   -2   -3    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15    1   -1    2   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16    0    0   -2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1   -1   -2    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18    2   -2   -2    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19    0    1   -3    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    0   -3    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21    0   -1    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    1   -2    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23    1    2   -1    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    0   -3    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    1    3    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -2    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    2    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    1   -3    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0   -3   -1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1    1    2   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    0   -1   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1   -2   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    1    0    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    0   -1   -3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    1   -2   -3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    1   -1    2   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    0   -2    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1   -1   -2    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2   -2   -2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    0    1   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    0   -3    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    0   -1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    1   -2    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1    2   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.16                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2586    1.2599    1.2613   90.5189   89.9819   90.1277      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2555    1.2608    1.2635   90.0000   90.0000   90.0000      0.0000         0.9937    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0176    0.0506    0.0000    0.0000    0.0000      0.0000         0.0398    0.0374
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7580    0.2150   -0.1029)
 a2 = (    0.1897   -0.7491   -0.1815)
 a3 = (   -0.1444    0.1415   -0.7666)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7598    0.2161   -0.1020) (    0.0016    0.0045    0.0042)
 a2 = (    0.1888   -0.7490   -0.1803) (    0.0053    0.0102    0.0062)
 a3 = (   -0.1445    0.1475   -0.7641) (    0.0099    0.0095    0.0294)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -150.6040  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             89             91
# Figure of merit at the beginning and the end of the refinement
        42.6995        49.9620
# Chi-squares at the beginning and the end of the refinement
    0.0284    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7307   -0.0595   -0.7289   -0.0565    0.0035    1
    2    1   -3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    3   -1   -0.0255    0.0854   -0.0241    0.0824    0.0033    1
    4    1   -2   -1   -0.1957   -0.5882   -0.1976   -0.5890    0.0021    1
    5    0   -2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    2   -1   -0.1050    0.1167   -0.1046    0.1173    0.0007    1
    7    0   -3   -1    0.1207   -0.5983    0.1201   -0.5972    0.0013    1
    8   -1   -3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2    1   -1   -0.1931    0.0481   -0.1940    0.0483    0.0010    1
   10   -1   -1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1   -2   -1    0.5346   -0.6146    0.5314   -0.6143    0.0031    1
   12    3    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3   -1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3   -2   -1    0.5305   -0.1505    0.5323   -0.1459    0.0049    1
   15    2   -1   -1   -0.3371   -0.2378   -0.3358   -0.2354    0.0027    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -1   -1    0.7296   -0.0830    0.7260   -0.0804    0.0045    1
   18   -2   -2   -2    1.0562   -0.5162    1.0655   -0.4953    0.0229    1
   19   -3    1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    0   -1    0.4443    0.1641    0.4436    0.1639    0.0008    1
   21    1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1   -1    0.2976    0.3325    0.2970    0.3320    0.0008    1
   23   -1    2   -1    0.0339    0.2688    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    1   -3    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    3   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -2   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    2   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -3   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1   -3    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    2    1   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -1   -1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1   -2   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    3    0   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3   -1    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3   -2   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    2   -1   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -2   -1   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2   -2   -2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -3    1    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3    0   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2    1   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1    2   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.18                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2580    1.2604    1.2616   90.0061   91.0097   89.4282      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2635    1.2555    1.2608   90.0000   90.0000   90.0000      0.0000         1.0021    0.9959
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0503    0.0472    0.0000    0.0000    0.0000      0.0000         0.0375    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1422    0.1624   -0.7652)
 a2 = (   -0.7569   -0.2144    0.1034)
 a3 = (   -0.1876    0.7491    0.1793)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1445    0.1475   -0.7641) (    0.0050    0.0046    0.0015)
 a2 = (   -0.7598   -0.2161    0.1020) (    0.0311    0.0087    0.0038)
 a3 = (   -0.1888    0.7490    0.1803) (    0.0085    0.0289    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -82.4447   76.8633 -165.8499    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             75             91
# Figure of merit at the beginning and the end of the refinement
        33.6423        49.9620
# Chi-squares at the beginning and the end of the refinement
    0.5191    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2    0   -1    3   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3   -1    0   -3   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1   -1    2   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    0    0    2    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6   -1   -1   -2   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7   -1    0    3    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8    0    1    3    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1   -2   -1   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    0    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    2    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12   -1   -3    0   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13    0    3    1    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -1    3    2    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15   -1   -2    1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    0    2    0    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17   -1    2    1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18   -2    2    2    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    0    3   -1    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20   -1    3    0    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0   -1    1   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22   -1    2   -1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1    1   -2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    0   -1    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1    0   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -1    2   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0    2    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -1   -2   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -1    0    3    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0    1    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1   -2   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    0    1    1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1    1    2    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -1   -3    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    0    3    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -1    3    2    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -1   -2    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    2    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1    2    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2    2    2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    0    3   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1    3    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    0   -1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    2   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1    1   -2    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.19                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2571    1.2611    1.2617   89.9409   90.5530   89.2222      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2635    1.2608    1.2555   90.0000   90.0000   90.0000      0.0000         1.0063    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0472    0.0503    0.0000    0.0000    0.0000      0.0000         0.0403    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1415   -0.1599    0.7664)
 a2 = (   -0.1877    0.7492    0.1798)
 a3 = (   -0.7560   -0.2150    0.1027)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1445   -0.1475    0.7641) (    0.0050    0.0046    0.0015)
 a2 = (   -0.1888    0.7490    0.1803) (    0.0085    0.0289    0.0048)
 a3 = (   -0.7598   -0.2161    0.1020) (    0.0311    0.0087    0.0038)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.7523   82.6435  -74.1233    0.3874    0.3013    0.3456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             77             91
# Figure of merit at the beginning and the end of the refinement
        34.7489        49.9620
# Chi-squares at the beginning and the end of the refinement
    0.3779    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    0    3   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1   -3    0   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1    2   -1   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    0    2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -2   -1   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7    1    3    0    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    0    3    1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1   -1   -2   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    0    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2    1    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12    1    0   -3   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    0    1    3    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1    2    3    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    1    1   -2   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    0    0    2    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    1    2    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    2    2    2    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19    0   -1    3    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    0    3    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    1   -1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1   -1    2    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    1   -2    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    0    3   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    1   -3    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    2   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1   -2   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    1    3    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0    3    1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1   -1   -2   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    0    1    1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1    2    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    1    0   -3   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    0    1    3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    1    2    3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    1    1   -2   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    0    2    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1    1    2    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2    2    2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    0   -1    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    0    3    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    0    1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1   -1    2    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1   -2    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.20                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2526    1.2537    1.2737   89.7530   90.7842   89.8759      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2555    1.2608    1.2635   90.0000   90.0000   90.0000      0.0000         0.9937    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0176    0.0506    0.0000    0.0000    0.0000      0.0000         0.0398    0.0374
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7617   -0.2160    0.1034)
 a2 = (    0.1906   -0.7528   -0.1824)
 a3 = (    0.1334   -0.1467    0.7597)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7598   -0.2161    0.1020) (    0.0016    0.0045    0.0042)
 a2 = (    0.1888   -0.7490   -0.1803) (    0.0053    0.0102    0.0062)
 a3 = (    0.1445   -0.1475    0.7641) (    0.0099    0.0095    0.0294)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  150.6040   15.1212   44.4173    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             97             92
# Figure of merit at the beginning and the end of the refinement
        22.9573        49.6897
# Chi-squares at the beginning and the end of the refinement
    0.0620    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    3    1   -0.0239    0.0814   -0.0241    0.0824    0.0010    1
    4   -1   -2    1   -0.1912   -0.5860   -0.1976   -0.5890    0.0071    1
    5    0   -2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    2    1   -0.1008    0.1134   -0.1046    0.1173    0.0054    1
    7    0   -3    1    0.1232   -0.5933    0.1201   -0.5972    0.0049    1
    8    1   -3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2    1    1   -0.1886    0.0477   -0.1940    0.0483    0.0055    1
   10    1   -1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1   -2    1    0.5331   -0.6035    0.5314   -0.6143    0.0109    1
   12   -3    0    1   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13    3   -1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3   -2    1    0.5250   -0.1473    0.5323   -0.1459    0.0074    1
   15   -2   -1    1   -0.3341   -0.2366   -0.3358   -0.2354    0.0021    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -1    1    0.7181   -0.0791    0.7260   -0.0804    0.0080    1
   18    2   -2    2    1.0406   -0.4957    1.0655   -0.4953    0.0249    1
   19    3    1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3    0    1    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    1    1    0.2928    0.3251    0.2970    0.3320    0.0081    1
   23    1    2    1    0.0347    0.2622    0.0342    0.2676    0.0055    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -1   -3    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    3    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -2    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1    2    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -3    1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1   -3    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -2    1    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    1   -1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1   -2    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -3    0    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3   -1    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3   -2    1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -2   -1    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    2   -1    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2   -2    2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    3    1    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3    0    1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2    1    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1    2    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.21                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2577    1.2586    1.2635   89.9082   90.3468   89.9080      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2608    1.2555    1.2635   90.0000   90.0000   90.0000      0.0000         0.9979    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0176    0.0473    0.0000    0.0000    0.0000      0.0000         0.0374    0.0398
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1882    0.7512    0.1802)
 a2 = (   -0.7580   -0.2155    0.1014)
 a3 = (    0.1442   -0.1424    0.7651)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1888    0.7490    0.1803) (    0.0043    0.0015    0.0051)
 a2 = (   -0.7598   -0.2161    0.1020) (    0.0110    0.0049    0.0043)
 a3 = (    0.1445   -0.1475    0.7641) (    0.0095    0.0091    0.0275)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.6040   15.1212   44.4173    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             81             92
# Figure of merit at the beginning and the end of the refinement
        40.9287        49.6897
# Chi-squares at the beginning and the end of the refinement
    0.0281    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7309   -0.0593   -0.7289   -0.0565    0.0034    1
    2    3   -1    0   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3   -3    0    1   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4    2   -1    1   -0.1952   -0.5849   -0.1976   -0.5890    0.0047    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -1    1   -0.1054    0.1179   -0.1046    0.1173    0.0010    1
    7    3    0    1    0.1184   -0.5950    0.1201   -0.5972    0.0028    1
    8    3    1    0    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9   -1   -2    1   -0.1945    0.0487   -0.1940    0.0483    0.0006    1
   10    1    1    0    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11    2    1    1    0.5305   -0.6132    0.5314   -0.6143    0.0014    1
   12    0   -3    1   -0.1827   -0.0381   -0.1815   -0.0378    0.0012    1
   13    1    3    0    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14    2    3    1    0.5278   -0.1502    0.5323   -0.1459    0.0062    1
   15    1   -2    1   -0.3365   -0.2377   -0.3358   -0.2354    0.0024    1
   16    0    2    0    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17    1    2    1    0.7266   -0.0828    0.7260   -0.0804    0.0025    1
   18    2    2    2    1.0523   -0.5160    1.0655   -0.4953    0.0246    1
   19   -1    3    0    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20    0    3    1    0.4415    0.1636    0.4436    0.1639    0.0021    1
   21    1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    2    1    0.2954    0.3306    0.2970    0.3320    0.0021    1
   23   -2    1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    3   -1    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -3    0    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2   -1    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -2   -1    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    3    0    1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    3    1    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1   -2    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    2    1    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    0   -3    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    1    3    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    2    3    1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    1   -2    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    2    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1    2    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2    2    2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -1    3    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    3    1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    2    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -2    1    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.29                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2576    1.2589    1.2633   89.8333   90.3229   90.1285      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2555    1.2608    1.2635   90.0000   90.0000   90.0000      0.0000         0.9937    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0176    0.0506    0.0000    0.0000    0.0000      0.0000         0.0398    0.0374
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7585   -0.2152    0.1029)
 a2 = (   -0.1898    0.7497    0.1816)
 a3 = (   -0.1494    0.1448   -0.7638)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7598   -0.2161    0.1020) (    0.0016    0.0045    0.0042)
 a2 = (   -0.1888    0.7490    0.1803) (    0.0053    0.0102    0.0062)
 a3 = (   -0.1445    0.1475   -0.7641) (    0.0099    0.0095    0.0294)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3960  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
             79             95
# Figure of merit at the beginning and the end of the refinement
        41.9156        48.8988
# Chi-squares at the beginning and the end of the refinement
    0.0269    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2   -1    3    0   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -3   -1   -0.0252    0.0839   -0.0241    0.0824    0.0018    1
    4   -1    2   -1   -0.1972   -0.5860   -0.1976   -0.5890    0.0030    1
    5    0    2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -2   -1   -0.1036    0.1149   -0.1046    0.1173    0.0026    1
    7    0    3   -1    0.1194   -0.5981    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2   -1   -1   -0.1908    0.0477   -0.1940    0.0483    0.0033    1
   10    1    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    2   -1    0.5344   -0.6157    0.5314   -0.6143    0.0033    1
   12   -3    0   -1   -0.1799   -0.0372   -0.1815   -0.0378    0.0017    1
   13    3    1    0    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    2   -1    0.5305   -0.1501    0.5323   -0.1459    0.0045    1
   15   -2    1   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    1   -1    0.7300   -0.0818    0.7260   -0.0804    0.0042    1
   18    2    2   -2    1.0598   -0.5170    1.0655   -0.4953    0.0224    1
   19    3   -1    0    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3    0   -1    0.4432    0.1647    0.4436    0.1639    0.0009    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1   -1    0.2954    0.3322    0.2970    0.3320    0.0016    1
   23    1   -2   -1    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -1    3    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -3   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    2   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -2   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    3   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -2   -1   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1    2   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -3    0   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3    1    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3    2   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -2    1   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    2    1   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2    2   -2    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    3   -1    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3    0   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2   -1   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1   -2   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.31                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8719    0.8748    2.6233   89.3603   91.5389   89.7437      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8705    0.8742    2.6281   90.0000   90.0000   90.0000      0.0000         0.3312    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0122    0.1052    0.0000    0.0000    0.0000      0.0000         0.0133    0.0125
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.0940   -0.3111    0.1512)
 a2 = (    0.2755   -1.0775   -0.2644)
 a3 = (    0.0605   -0.0707    0.3698)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0958   -0.3117    0.1471) (    0.0022    0.0065    0.0060)
 a2 = (    0.2723   -1.0802   -0.2600) (    0.0077    0.0147    0.0089)
 a3 = (    0.0695   -0.0709    0.3673) (    0.0048    0.0046    0.0141)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  150.6040   15.1212   44.4173    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            229            221
# Figure of merit at the beginning and the end of the refinement
        14.5742        32.0601
# Chi-squares at the beginning and the end of the refinement
    0.0632    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    3   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2   -1   -3    0   -0.0136   -0.1802   -0.0133   -0.1793    0.0009    1
    3    0    1    1   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4   -1   -2    3   -0.1922   -0.5981   -0.1976   -0.5890    0.0106    1
    5    0   -2    0    0.0589   -0.2303    0.0566   -0.2258    0.0051    1
    6   -1    2    3   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7    0   -1    1    0.1287   -0.6025    0.1201   -0.5972    0.0101    1
    8    1   -3    0    0.1484   -0.2257    0.1441   -0.2219    0.0057    1
    9   -2    1    3   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10    1   -1    0    0.2311   -0.1293    0.2267   -0.1283    0.0045    1
   11    1   -2    3    0.5451   -0.6077    0.5314   -0.6143    0.0152    1
   12   -1    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    3   -1    0    0.2015   -0.0082    0.1981   -0.0091    0.0035    1
   14    3   -2    3    0.5322   -0.1471    0.5323   -0.1459    0.0012    1
   15   -2   -1    3   -0.3401   -0.2416   -0.3358   -0.2354    0.0076    1
   16    2    0    0    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17    2   -1    3    0.7263   -0.0774    0.7260   -0.0804    0.0030    1
   18    2   -2    6    1.0542   -0.4917    1.0655   -0.4953    0.0118    1
   19    3    1    0    0.0435    0.0291    0.0407    0.0272    0.0033    1
   20    1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    1    3    0.2986    0.3298    0.2970    0.3320    0.0028    1
   23    1    2    3    0.0362    0.2684    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    3   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -1   -3    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -2    3   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1    2    3   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -1    1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1   -3    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -2    1    3   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    1   -1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1   -2    3    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -1    0    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3   -1    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3   -2    3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -2   -1    3   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    2   -1    3    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2   -2    6    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    3    1    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    0    1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2    1    3    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1    2    3    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.32                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8728    0.8752    2.6189   89.6221   91.1021   90.2776      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8742    0.8705    2.6281   90.0000   90.0000   90.0000      0.0000         0.3326    0.3312
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0122    0.0984    0.0000    0.0000    0.0000      0.0000         0.0125    0.0133
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2702   -1.0825   -0.2615)
 a2 = (   -1.0893   -0.3128    0.1455)
 a3 = (   -0.0657    0.0653   -0.3705)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2723   -1.0802   -0.2600) (    0.0062    0.0022    0.0074)
 a2 = (   -1.0958   -0.3117    0.1471) (    0.0159    0.0071    0.0061)
 a3 = (   -0.0695    0.0709   -0.3673) (    0.0046    0.0044    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.6040  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            213            221
# Figure of merit at the beginning and the end of the refinement
        16.0648        32.0601
# Chi-squares at the beginning and the end of the refinement
    0.0426    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -3   -0.7449   -0.0676   -0.7289   -0.0565    0.0195    1
    2   -3   -1    0   -0.0140   -0.1784   -0.0133   -0.1793    0.0012    1
    3    1    0   -1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4   -2   -1   -3   -0.1927   -0.5896   -0.1976   -0.5890    0.0050    1
    5   -2    0    0    0.0568   -0.2274    0.0566   -0.2258    0.0016    1
    6    2   -1   -3   -0.1075    0.1205   -0.1046    0.1173    0.0043    1
    7   -1    0   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -3    1    0    0.1446   -0.2233    0.1441   -0.2219    0.0014    1
    9    1   -2   -3   -0.1992    0.0491   -0.1940    0.0483    0.0052    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1   -3    0.5318   -0.6147    0.5314   -0.6143    0.0005    1
   12    0   -1   -1   -0.1862   -0.0399   -0.1815   -0.0378    0.0052    1
   13   -1    3    0    0.1970   -0.0080    0.1981   -0.0091    0.0016    1
   14   -2    3   -3    0.5303   -0.1513    0.5323   -0.1459    0.0057    1
   15   -1   -2   -3   -0.3390   -0.2435   -0.3358   -0.2354    0.0087    1
   16    0    2    0    0.1234    0.0354    0.1256    0.0356    0.0022    1
   17   -1    2   -3    0.7292   -0.0845    0.7260   -0.0804    0.0052    1
   18   -2    2   -6    1.0504   -0.5183    1.0655   -0.4953    0.0276    1
   19    1    3    0    0.0402    0.0271    0.0407    0.0272    0.0006    1
   20    0    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -1    0   -0.0363   -0.0618   -0.0357   -0.0605    0.0014    1
   22    1    2   -3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    2    1   -3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -3   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -3   -1    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    1    0   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2   -1   -3   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    2   -1   -3   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -1    0   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -3    1    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1   -2   -3   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -2    1   -3    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    0   -1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -1    3    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -2    3   -3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -1   -2   -3   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    2    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1    2   -3    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2    2   -6    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    1    3    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    1   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    2   -3    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    2    1   -3    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.33                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8673    0.8799    2.6235   90.5987   92.3641   90.9229      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8742    0.8705    2.6281   90.0000   90.0000   90.0000      0.0000         0.3326    0.3312
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0122    0.0984    0.0000    0.0000    0.0000      0.0000         0.0125    0.0133
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2732    1.0909    0.2596)
 a2 = (    1.0792    0.3252   -0.1470)
 a3 = (   -0.0711    0.0858   -0.3649)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2723    1.0802    0.2600) (    0.0062    0.0022    0.0074)
 a2 = (    1.0958    0.3117   -0.1471) (    0.0159    0.0071    0.0061)
 a3 = (   -0.0695    0.0709   -0.3673) (    0.0046    0.0044    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  119.3960  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            199            221
# Figure of merit at the beginning and the end of the refinement
        10.1546        32.0601
# Chi-squares at the beginning and the end of the refinement
    0.1411    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -3   -0.7312   -0.0384   -0.7289   -0.0565    0.0182    1
    2    3    1    0   -0.0126   -0.1747   -0.0133   -0.1793    0.0047    1
    3   -1    0   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    2    1   -3   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5    2    0    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -2    1   -3   -0.1004    0.1154   -0.1046    0.1173    0.0047    1
    7    1    0   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    3   -1    0    0.1430   -0.2220    0.1441   -0.2219    0.0011    1
    9   -1    2   -3   -0.1912    0.0505   -0.1940    0.0483    0.0035    1
   10    1   -1    0    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11    2   -1   -3    0.5463   -0.6186    0.5314   -0.6143    0.0155    1
   12    0    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1   -3    0    0.1993   -0.0065    0.1981   -0.0091    0.0028    1
   14    2   -3   -3    0.5375   -0.1428    0.5323   -0.1459    0.0061    1
   15    1    2   -3   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0   -2    0    0.1249    0.0376    0.1256    0.0356    0.0021    1
   17    1   -2   -3    0.7380   -0.0609    0.7260   -0.0804    0.0228    1
   18    2   -2   -6    1.0989   -0.4904    1.0655   -0.4953    0.0338    1
   19   -1   -3    0    0.0412    0.0287    0.0407    0.0272    0.0015    1
   20    0   -1   -1    0.4354    0.1775    0.4436    0.1639    0.0159    1
   21    1    1    0   -0.0342   -0.0601   -0.0357   -0.0605    0.0016    1
   22   -1   -2   -3    0.2780    0.3323    0.2970    0.3320    0.0190    1
   23   -2   -1   -3    0.0298    0.2579    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -3   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    3    1    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1    0   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    1   -3   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -2    1   -3   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    1    0   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    3   -1    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1    2   -3   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    1   -1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    2   -1   -3    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    0    1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    1   -3    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    2   -3   -3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    1    2   -3   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0   -2    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1   -2   -3    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2   -2   -6    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -1   -3    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0   -1   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    1    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1   -2   -3    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -2   -1   -3    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.34                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8706    0.8717    2.6355   90.3334   90.3253   89.8673      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8742    0.8705    2.6281   90.0000   90.0000   90.0000      0.0000         0.3326    0.3312
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0122    0.0984    0.0000    0.0000    0.0000      0.0000         0.0125    0.0133
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2710    1.0847    0.2635)
 a2 = (   -1.0942   -0.3118    0.1469)
 a3 = (    0.0669   -0.0701    0.3669)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2723    1.0802    0.2600) (    0.0062    0.0022    0.0074)
 a2 = (   -1.0958   -0.3117    0.1471) (    0.0159    0.0071    0.0061)
 a3 = (    0.0695   -0.0709    0.3673) (    0.0046    0.0044    0.0132)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.6040   15.1212   44.4173    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            217            221
# Figure of merit at the beginning and the end of the refinement
        24.5713        32.0601
# Chi-squares at the beginning and the end of the refinement
    0.0387    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    3   -0.7319   -0.0573   -0.7289   -0.0565    0.0031    1
    2    3   -1    0   -0.0141   -0.1794   -0.0133   -0.1793    0.0009    1
    3   -1    0    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    2   -1    3   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5    2    0    0    0.0571   -0.2287    0.0566   -0.2258    0.0029    1
    6   -2   -1    3   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    1    0    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    3    1    0    0.1454   -0.2244    0.1441   -0.2219    0.0028    1
    9   -1   -2    3   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    1    1    0    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11    2    1    3    0.5336   -0.6123    0.5314   -0.6143    0.0029    1
   12    0   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    0    0.1978   -0.0083    0.1981   -0.0091    0.0009    1
   14    2    3    3    0.5286   -0.1493    0.5323   -0.1459    0.0050    1
   15    1   -2    3   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0    2    0    0.1242    0.0354    0.1256    0.0356    0.0014    1
   17    1    2    3    0.7251   -0.0805    0.7260   -0.0804    0.0009    1
   18    2    2    6    1.0521   -0.5083    1.0655   -0.4953    0.0186    1
   19   -1    3    0    0.0406    0.0272    0.0407    0.0272    0.0002    1
   20    0    1    1    0.4394    0.1634    0.4436    0.1639    0.0042    1
   21    1   -1    0   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22   -1    2    3    0.2929    0.3274    0.2970    0.3320    0.0062    1
   23   -2    1    3    0.0344    0.2632    0.0342    0.2676    0.0045    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    3   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    3   -1    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1    0    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2   -1    3   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -2   -1    3   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    1    0    1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    3    1    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1   -2    3   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    2    1    3    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    0   -1    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    1    3    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    2    3    3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    1   -2    3   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    2    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1    2    3    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2    2    6    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -1    3    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    1    1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    2    3    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -2    1    3    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.36                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8636    0.8754    2.6481   92.3728   89.9332   89.0771      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8705    0.8742    2.6281   90.0000   90.0000   90.0000      0.0000         0.3312    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0122    0.1052    0.0000    0.0000    0.0000      0.0000         0.0133    0.0125
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1016   -0.3289    0.1395)
 a2 = (   -0.2707    1.0807    0.2572)
 a3 = (   -0.0704    0.0850   -0.3615)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0958   -0.3117    0.1471) (    0.0022    0.0065    0.0060)
 a2 = (   -0.2723    1.0802    0.2600) (    0.0077    0.0147    0.0089)
 a3 = (   -0.0695    0.0709   -0.3673) (    0.0048    0.0046    0.0141)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3960  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            400            221
# Figure of merit at the beginning and the end of the refinement
         5.0069        32.0601
# Chi-squares at the beginning and the end of the refinement
    0.3495    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -3   -0.7175   -0.0405   -0.7289   -0.0565    0.0197    1
    2   -1    3    0   -0.0143   -0.1758   -0.0133   -0.1793    0.0036    1
    3    0   -1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    2   -3   -0.2013   -0.5833   -0.1976   -0.5890    0.0067    1
    5    0    2    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -1   -2   -3   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    0    1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1    3    0    0.1435   -0.2185    0.1441   -0.2219    0.0035    1
    9   -2   -1   -3   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    1    1    0    0.2223   -0.1218    0.2267   -0.1283    0.0079    1
   11    1    2   -3    0.5484   -0.6042    0.5314   -0.6143    0.0197    1
   12   -1    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    3    1    0    0.1888   -0.0050    0.1981   -0.0091    0.0102    1
   14    3    2   -3    0.5216   -0.1320    0.5323   -0.1459    0.0176    1
   15   -2    1   -3   -0.3352   -0.2320   -0.3358   -0.2354    0.0035    1
   16    2    0    0    0.1163    0.0347    0.1256    0.0356    0.0094    1
   17    2    1   -3    0.7123   -0.0529    0.7260   -0.0804    0.0307    0
   18    2    2   -6    1.0782   -0.4615    1.0655   -0.4953    0.0361    1
   19    3   -1    0    0.0363    0.0247    0.0407    0.0272    0.0051    1
   20    1    0   -1    0.4184    0.1679    0.4436    0.1639    0.0255    0
   21   -1    1    0   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22    2   -1   -3    0.2745    0.3179    0.2970    0.3320    0.0265    0
   23    1   -2   -3    0.0323    0.2544    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -3   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -1    3    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    2   -3   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -2   -3   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    1   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -2   -1   -3   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1    2   -3    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -1    0   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3    1    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3    2   -3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -2    1   -3   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    2    1   -3    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2    2   -6    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    3   -1    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    0   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2   -1   -3    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1   -2   -3    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.38                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8717    0.8744    2.6240   89.9750   90.4901   90.0674      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8705    0.8742    2.6281   90.0000   90.0000   90.0000      0.0000         0.3312    0.3326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0122    0.1052    0.0000    0.0000    0.0000      0.0000         0.0133    0.0125
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0948    0.3081   -0.1498)
 a2 = (    0.2701   -1.0808   -0.2588)
 a3 = (   -0.0671    0.0716   -0.3683)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0958    0.3117   -0.1471) (    0.0022    0.0065    0.0060)
 a2 = (    0.2723   -1.0802   -0.2600) (    0.0077    0.0147    0.0089)
 a3 = (   -0.0695    0.0709   -0.3673) (    0.0048    0.0046    0.0141)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -150.6040  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            223            224
# Figure of merit at the beginning and the end of the refinement
        27.6299        31.8446
# Chi-squares at the beginning and the end of the refinement
    0.0455    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7330   -0.0528   -0.7289   -0.0565    0.0055    1
    2    1   -3    0   -0.0141   -0.1753   -0.0133   -0.1793    0.0040    1
    3    0    1   -1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4    1   -2   -3   -0.1968   -0.5871   -0.1976   -0.5890    0.0021    1
    5    0   -2    0    0.0563   -0.2254    0.0566   -0.2258    0.0005    1
    6    1    2   -3   -0.1050    0.1183   -0.1046    0.1173    0.0010    1
    7    0   -1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -1   -3    0    0.1442   -0.2220    0.1441   -0.2219    0.0001    1
    9    2    1   -3   -0.1928    0.0492   -0.1940    0.0483    0.0016    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2   -3    0.5359   -0.6126    0.5314   -0.6143    0.0048    1
   12    1    0   -1   -0.1805   -0.0367   -0.1815   -0.0378    0.0015    1
   13   -3   -1    0    0.1989   -0.0088    0.1981   -0.0091    0.0008    1
   14   -3   -2   -3    0.5296   -0.1495    0.5323   -0.1459    0.0045    1
   15    2   -1   -3   -0.3370   -0.2355   -0.3358   -0.2354    0.0013    1
   16   -2    0    0    0.1268    0.0357    0.1256    0.0356    0.0012    1
   17   -2   -1   -3    0.7275   -0.0805    0.7260   -0.0804    0.0015    1
   18   -2   -2   -6    1.0574   -0.5071    1.0655   -0.4953    0.0143    1
   19   -3    1    0    0.0438    0.0292    0.0407    0.0272    0.0036    1
   20   -1    0   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -1    0   -0.0344   -0.0580   -0.0357   -0.0605    0.0028    1
   22   -2    1   -3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23   -1    2   -3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    1   -3    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -2   -3   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    2   -3   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -1   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1   -3    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    2    1   -3   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -1   -1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1   -2   -3    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    1    0   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3   -1    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3   -2   -3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    2   -1   -3   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -2   -1   -3    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2   -2   -6    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -3    1    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1    0   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2    1   -3    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1    2   -3    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.39                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9987    1.4139    1.4164   89.9467   90.2468   90.2201      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0059    1.3985    1.4217   90.0000   90.0000   90.0000      0.0000         0.7076    0.9837
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0241    0.0293    0.0000    0.0000    0.0000      0.0000         0.0146    0.0250
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2369    0.9457    0.2286)
 a2 = (   -0.3865   -0.2263    0.5474)
 a3 = (    0.5673    0.0443    0.4180)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2369    0.9391    0.2242) (    0.0063    0.0018    0.0049)
 a2 = (   -0.3912   -0.2306    0.5524) (    0.0103    0.0050    0.0087)
 a3 = (    0.5644    0.0427    0.4176) (    0.0140    0.0056    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   16.2770   53.5849   94.3238    0.3759    0.4660    0.5240
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0036   -0.0011    0.0050      0.0031    0.0026    0.0119

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.6498         5.0745
# Chi-squares at the beginning and the end of the refinement
    0.2216    0.1122
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    2   -0.7324   -0.0571   -0.7289   -0.0565    0.0035    1
    2    4   -1    1   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3   -5    2    1   -0.0132    0.0694   -0.0241    0.0824    0.0169    1
    4    1    0    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6   -1    0    1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    4    1    1    0.1063   -0.4994    0.1201   -0.5972    0.0987    0
    8    4    1   -1    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9   -2   -2    6   -0.1932    0.0488   -0.1940    0.0483    0.0009    1
   10    2    2   -2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11    1    1    0    0.5338   -0.6161    0.5314   -0.6143    0.0030    1
   12    0   -2    4   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13    2    4   -4    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14    1    2   -1    0.5311   -0.1512    0.5323   -0.1459    0.0054    1
   15    2   -2    6   -0.3375   -0.2378   -0.3358   -0.2354    0.0030    1
   16    0    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    6   -2    0.7305   -0.0828    0.7260   -0.0804    0.0051    1
   18    2    4    0    1.0582   -0.5168    1.0655   -0.4953    0.0227    1
   19   -3    4   -3    0.0295    0.0451    0.0407    0.0272    0.0211    0
   20    0    4   -2    0.4440    0.1646    0.4436    0.1639    0.0008    1
   21    2   -2    2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    6   -2    0.2964    0.3320    0.2970    0.3320    0.0006    1
   23   -1    1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    2   -0.7355   -0.0565   -0.7289   -0.0565    0.0066    1
    2    4   -1    1   -0.0040   -0.1893   -0.0133   -0.1793    0.0137    1
    3   -5    2    1   -0.0178    0.0742   -0.0241    0.0824    0.0103    1
    4    1    0    1   -0.1989   -0.5864   -0.1976   -0.5890    0.0028    1
    5    2    0    0    0.0528   -0.2245    0.0566   -0.2258    0.0040    1
    6   -1    0    1   -0.1102    0.1181   -0.1046    0.1173    0.0057    1
    7    5    2    1    0.1785   -0.5564    0.1201   -0.5972    0.0712    0
    8    4    1   -1    0.1204   -0.2281    0.1441   -0.2219    0.0245    0
    9   -2   -2    6   -0.1956    0.0469   -0.1940    0.0483    0.0022    1
   10    2    2   -2    0.2248   -0.1286    0.2267   -0.1283    0.0020    1
   11    1    1    0    0.5377   -0.6118    0.5314   -0.6143    0.0068    1
   12    0   -2    4   -0.1810   -0.0380   -0.1815   -0.0378    0.0006    1
   13    2    4   -4    0.2177   -0.0416    0.1981   -0.0091    0.0379    0
   14    1    2   -1    0.5288   -0.1475    0.5323   -0.1459    0.0038    1
   15    2   -2    6   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16    0    1   -1    0.1261    0.0359    0.1256    0.0356    0.0006    1
   17    2    6   -2    0.7260   -0.0768    0.7260   -0.0804    0.0036    1
   18    2    4    0    1.0598   -0.4998    1.0655   -0.4953    0.0073    1
   19   -3    4   -3    0.0300    0.0498    0.0407    0.0272    0.0250    0
   20    0    4   -2    0.4417    0.1654    0.4436    0.1639    0.0024    1
   21    2   -2    2   -0.0358   -0.0555   -0.0357   -0.0605    0.0051    1
   22   -2    6   -2    0.2965    0.3333    0.2970    0.3320    0.0014    1
   23   -1    1    0    0.0326    0.2732    0.0342    0.2676    0.0058    1

###            No.40                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0066    1.4004    1.4194   89.6059   91.3872   90.7356      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0090    1.4312    1.3850   90.0000   90.0000   90.0000      0.0000         0.7285    1.0333
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0294    0.0219    0.0000    0.0000    0.0000      0.0000         0.0115    0.0247
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2285   -0.9411   -0.2230)
 a2 = (    0.5812    0.0335    0.4137)
 a3 = (   -0.3791   -0.2389    0.5440)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2316   -0.9372   -0.2243) (    0.0058    0.0017    0.0048)
 a2 = (    0.5601    0.0388    0.4160) (    0.0139    0.0051    0.0064)
 a3 = (   -0.3974   -0.2314    0.5566) (    0.0096    0.0049    0.0082)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -20.8175   39.5635  -59.7845    0.4711    0.4551    0.5478
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0074   -0.0019    0.0086      0.0023    0.0026    0.0117

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9877         4.5282
# Chi-squares at the beginning and the end of the refinement
    0.7734    0.2323
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7094   -0.0409   -0.7289   -0.0565    0.0250    1
    2   -4    1   -1   -0.0022   -0.1887   -0.0133   -0.1793    0.0145    1
    3    5    1    2   -0.0136    0.0725   -0.0241    0.0824    0.0144    1
    4   -1    1    0   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5   -2    0    0    0.0543   -0.2238    0.0566   -0.2258    0.0030    1
    6    1    1    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -5    1    2    0.1735   -0.5603    0.1201   -0.5972    0.0648    0
    8   -4   -1    1    0.1220   -0.2273    0.1441   -0.2219    0.0227    0
    9    2    6   -2   -0.1892    0.0484   -0.1940    0.0483    0.0048    1
   10   -2   -2    2    0.2258   -0.1270    0.2267   -0.1283    0.0016    1
   11   -1    0    1    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12    0    4   -2   -0.1769   -0.0351   -0.1815   -0.0378    0.0054    1
   13   -2   -4    4    0.2176   -0.0401    0.1981   -0.0091    0.0367    0
   14   -1   -1    2    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -2    6   -2   -0.3334   -0.2253   -0.3358   -0.2354    0.0103    1
   16    0   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -2    6    0.7332   -0.0719    0.7260   -0.0804    0.0111    1
   18   -2    0    4    1.0886   -0.5113    1.0655   -0.4953    0.0281    1
   19    3   -3    4    0.0316    0.0476    0.0407    0.0272    0.0223    0
   20    0   -2    4    0.4394    0.1677    0.4436    0.1639    0.0057    1
   21   -2    2   -2   -0.0338   -0.0560   -0.0357   -0.0605    0.0049    1
   22    2   -2    6    0.2919    0.3313    0.2970    0.3320    0.0051    1
   23    1    0    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7403   -0.0526   -0.7289   -0.0565    0.0120    1
    2   -4    1   -1   -0.0089   -0.1885   -0.0133   -0.1793    0.0102    1
    3    5    1    2   -0.0212    0.0747   -0.0241    0.0824    0.0082    1
    4   -1    1    0   -0.2041   -0.5861   -0.1976   -0.5890    0.0070    1
    5   -2    0    0    0.0479   -0.2255    0.0566   -0.2258    0.0087    1
    6    1    1    0   -0.1123    0.1172   -0.1046    0.1173    0.0077    1
    7   -5    1    2    0.1746   -0.5590    0.1201   -0.5972    0.0665    0
    8   -4   -1    1    0.1165   -0.2306    0.1441   -0.2219    0.0289    0
    9    2    6   -2   -0.1957    0.0462   -0.1940    0.0483    0.0027    1
   10   -2   -2    2    0.2241   -0.1317    0.2267   -0.1283    0.0043    1
   11   -1    0    1    0.5375   -0.6133    0.5314   -0.6143    0.0061    1
   12    0    4   -2   -0.1801   -0.0370   -0.1815   -0.0378    0.0016    1
   13   -2   -4    4    0.2184   -0.0436    0.1981   -0.0091    0.0400    0
   14   -1   -1    2    0.5282   -0.1489    0.5323   -0.1459    0.0051    1
   15   -2    6   -2   -0.3387   -0.2325   -0.3358   -0.2354    0.0041    1
   16    0   -1    1    0.1275    0.0362    0.1256    0.0356    0.0020    1
   17   -2   -2    6    0.7236   -0.0771    0.7260   -0.0804    0.0041    1
   18   -2    0    4    1.0572   -0.4939    1.0655   -0.4953    0.0084    1
   19    3   -3    4    0.0289    0.0525    0.0407    0.0272    0.0279    0
   20    0   -2    4    0.4413    0.1643    0.4436    0.1639    0.0023    1
   21   -2    2   -2   -0.0378   -0.0524   -0.0357   -0.0605    0.0084    1
   22    2   -2    6    0.2968    0.3323    0.2970    0.3320    0.0003    1
   23    1    0    1    0.0318    0.2745    0.0342    0.2676    0.0072    1

###            No.41                ###
# Bravais type
 Orthorhombic(I)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6016    1.7958    1.8521   88.3689   90.2714   89.6167      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6044    1.8123    1.8259   90.0000   90.0000   90.0000      0.0000         0.3310    0.9925
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0287    0.0777    0.0000    0.0000    0.0000      0.0000         0.0141    0.0452
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4044   -1.5665   -0.3817)
 a2 = (   -0.5315   -0.1507    0.0721)
 a3 = (   -0.0841    0.1030   -0.5235)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3926   -1.5630   -0.3747) (    0.0098    0.0036    0.0117)
 a2 = (   -0.5265   -0.1492    0.0708) (    0.0085    0.0041    0.0033)
 a3 = (   -0.1000    0.1017   -0.5288) (    0.0075    0.0071    0.0216)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.4560  164.9104 -135.4860    1.0576    0.4710    1.1278
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0002   -0.0040      0.0022    0.0028    0.0429

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.8582         3.8726
# Chi-squares at the beginning and the end of the refinement
    0.2269    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -1    0   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1    0   -1   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4   -2   -3   -3   -0.1861   -0.5874   -0.1976   -0.5890    0.0116    1
    5   -2    0    0    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6    2   -3   -3   -0.0981    0.1104   -0.1046    0.1173    0.0095    1
    7   -1    0   -1    0.1292   -0.5903    0.1201   -0.5972    0.0114    1
    8   -1    1    0    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    1   -6   -3   -0.1848    0.0467   -0.1940    0.0483    0.0094    1
   10   -1    3    0    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11   -2    3   -3    0.5351   -0.5901    0.5314   -0.6143    0.0245    1
   12    0   -3   -1   -0.1754   -0.0365   -0.1815   -0.0378    0.0063    1
   13   -1    7    0    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14   -1    5   -2    0.5924   -0.1242    0.5323   -0.1459    0.0639    0
   15   -1   -6   -3   -0.3321   -0.2364   -0.3358   -0.2354    0.0038    1
   16    0    2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    6   -3    0.7060   -0.0746    0.7260   -0.0804    0.0208    1
   18   -2    5   -5    0.8937   -0.5471    1.0655   -0.4953    0.1794    0
   19    2    7   -1    0.0284    0.0430    0.0407    0.0272    0.0201    0
   20    0    3   -1    0.4316    0.1587    0.4436    0.1639    0.0131    1
   21   -1   -3    0   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22    1    6   -3    0.2904    0.3188    0.2970    0.3320    0.0148    1
   23    2    3   -3    0.0353    0.2580    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7295   -0.0556   -0.7289   -0.0565    0.0010    1
    2   -1   -1    0   -0.0135   -0.1773   -0.0133   -0.1793    0.0020    1
    3    1    0   -1   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4   -2   -3   -3   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5   -2    0    0    0.0572   -0.2266    0.0566   -0.2258    0.0011    1
    6    2   -3   -3   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1    0   -1    0.1198   -0.5970    0.1201   -0.5972    0.0003    1
    8   -1    1    0    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1   -6   -3   -0.1925    0.0485   -0.1940    0.0483    0.0016    1
   10   -1    3    0    0.2268   -0.1283    0.2267   -0.1283    0.0001    1
   11   -2    3   -3    0.5341   -0.6138    0.5314   -0.6143    0.0027    1
   12    0   -3   -1   -0.1811   -0.0376   -0.1815   -0.0378    0.0005    1
   13   -1    7    0    0.2112   -0.0270    0.1981   -0.0091    0.0222    0
   14   -1    5   -2    0.6066   -0.1319    0.5323   -0.1459    0.0756    0
   15   -1   -6   -3   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16    0    2    0    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1    6   -3    0.7280   -0.0814    0.7260   -0.0804    0.0023    1
   18   -2    5   -5    0.9139   -0.5862    1.0655   -0.4953    0.1768    0
   19    1    7    0    0.0230    0.0178    0.0407    0.0272    0.0201    0
   20    0    3   -1    0.4424    0.1639    0.4436    0.1639    0.0012    1
   21   -1   -3    0   -0.0351   -0.0603   -0.0357   -0.0605    0.0006    1
   22    1    6   -3    0.2957    0.3308    0.2970    0.3320    0.0018    1
   23    2    3   -3    0.0344    0.2671    0.0342    0.2676    0.0006    1

###                                ###
### Candidates for Orthorhombic(C) ###
###                                ###

###            No.1                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9959    1.4092    1.4260   91.1222   91.5645   90.8375      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0006    1.4138    1.4137   90.0000   90.0000   90.0000      0.0000         0.7078    1.0001
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0281    0.0257    0.0000    0.0000    0.0000      0.0000         0.0129    0.0262
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2423   -0.9483   -0.2261)
 a2 = (    0.5723    0.0351    0.4184)
 a3 = (   -0.3668   -0.2444    0.5460)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2374   -0.9438   -0.2275) (    0.0055    0.0016    0.0045)
 a2 = (    0.5688    0.0422    0.4183) (    0.0140    0.0051    0.0062)
 a3 = (   -0.3854   -0.2289    0.5472) (    0.0111    0.0055    0.0084)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -21.0499   39.3245  -59.3007    0.4471    0.5231    0.5386
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0035      0.0023    0.0022    0.0127

# Number of computed bands
            400            113
# Figure of merit at the beginning and the end of the refinement
         3.3299        44.9166
# Chi-squares at the beginning and the end of the refinement
    0.0982    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7283   -0.0447   -0.7289   -0.0565    0.0118    1
    2   -3    1   -1   -0.0119   -0.1754   -0.0133   -0.1793    0.0042    1
    3    3    1    1   -0.0262    0.0857   -0.0241    0.0824    0.0039    1
    4   -1    1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -2    0    0    0.0572   -0.2238    0.0566   -0.2258    0.0021    1
    6    1    1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    1    1    0.1186   -0.5997    0.1201   -0.5972    0.0029    1
    8   -3   -1    1    0.1435   -0.2209    0.1441   -0.2219    0.0012    1
    9    1    3   -1   -0.1948    0.0501   -0.1940    0.0483    0.0020    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0    2    0.5427   -0.6272    0.5314   -0.6143    0.0171    1
   12    0    2   -1   -0.1844   -0.0384   -0.1815   -0.0378    0.0029    1
   13   -1   -3    3    0.1988   -0.0071    0.1981   -0.0091    0.0021    1
   14   -1   -1    2    0.5405   -0.1482    0.5323   -0.1459    0.0085    1
   15   -1    3   -1   -0.3393   -0.2392   -0.3358   -0.2354    0.0051    1
   16    0   -2    2    0.1248    0.0372    0.1256    0.0356    0.0017    1
   17   -1   -1    3    0.7483   -0.0704    0.7260   -0.0804    0.0244    1
   18   -3   -1    6    0.8805   -0.3380    1.0655   -0.4953    0.2428    0
   19    1   -3    3    0.0411    0.0285    0.0407    0.0272    0.0013    1
   20    0   -2    4    0.4443    0.1783    0.4436    0.1639    0.0144    1
   21   -1    1   -1   -0.0344   -0.0606   -0.0357   -0.0605    0.0013    1
   22    1   -1    3    0.2846    0.3416    0.2970    0.3320    0.0156    1
   23    2    0    2    0.0277    0.2654    0.0342    0.2676    0.0069    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2   -3    1   -1   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3    3    1    1   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4   -1    1    0   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5   -2    0    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    1    1    0   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -3    1    1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -3   -1    1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1    3   -1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10   -1   -1    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2    0    2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    0    2   -1   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -1   -3    3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -1   -1    2    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15   -1    3   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1   -1    3    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18   -2    0    4    1.0605   -0.5115    1.0655   -0.4953    0.0169    1
   19    1   -3    3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -2    4    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21   -1    1   -1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -1    3    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23    2    0    2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.2                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0012    1.4372    1.3902   90.7280   90.7559   90.0047      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0017    1.4174    1.4086   90.0000   90.0000   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0268    0.0217    0.0000    0.0000    0.0000      0.0000         0.0110    0.0219
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2457    0.9407    0.2293)
 a2 = (   -0.5550   -0.0430   -0.4175)
 a3 = (   -0.4058   -0.2295    0.5479)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2374    0.9425    0.2277) (    0.0055    0.0016    0.0044)
 a2 = (   -0.5665   -0.0416   -0.4184) (    0.0129    0.0049    0.0061)
 a3 = (   -0.3880   -0.2301    0.5482) (    0.0091    0.0046    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  158.9632   39.4489  -59.3237    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            123            115
# Figure of merit at the beginning and the end of the refinement
        13.1329        44.4691
# Chi-squares at the beginning and the end of the refinement
    0.2115    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3   -1   -1   -0.0130   -0.1793   -0.0133   -0.1793    0.0003    1
    3   -3   -1    1   -0.0250    0.0848   -0.0241    0.0824    0.0026    1
    4    1   -1    0   -0.1881   -0.5984   -0.1976   -0.5890    0.0134    1
    5    2    0    0    0.0596   -0.2282    0.0566   -0.2258    0.0039    1
    6   -1   -1    0   -0.1041    0.1167   -0.1046    0.1173    0.0007    1
    7    3   -1    1    0.1333   -0.5976    0.1201   -0.5972    0.0132    1
    8    3    1    1    0.1481   -0.2224    0.1441   -0.2219    0.0040    1
    9   -1   -3   -1   -0.1930    0.0485   -0.1940    0.0483    0.0011    1
   10    1    1    1    0.2282   -0.1263    0.2267   -0.1283    0.0025    1
   11    2    0    2    0.5444   -0.5942    0.5314   -0.6143    0.0239    1
   12    0   -2   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    3    0.1980   -0.0078    0.1981   -0.0091    0.0013    1
   14    1    1    2    0.5241   -0.1426    0.5323   -0.1459    0.0089    1
   15    1   -3   -1   -0.3396   -0.2418   -0.3358   -0.2354    0.0074    1
   16    0    2    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1    3    0.7135   -0.0739    0.7260   -0.0804    0.0140    1
   18    2    0    4    1.0379   -0.4728    1.0655   -0.4953    0.0356    1
   19   -1    3    3    0.0425    0.0283    0.0407    0.0272    0.0020    1
   20    0    2    4    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1    3    0.2968    0.3251    0.2970    0.3320    0.0069    1
   23   -2    0    2    0.0366    0.2672    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    3   -1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3   -1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0    2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0   -2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    1    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2    2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1    1    3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    0    4    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -1    3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    2    4    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    1    3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -2    0    2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.3                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9963    1.4407    1.3936   90.7303   89.5457   90.2871      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0017    1.4174    1.4086   90.0000   90.0000   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0268    0.0217    0.0000    0.0000    0.0000      0.0000         0.0110    0.0219
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2399    0.9473    0.2295)
 a2 = (    0.5537    0.0429    0.4165)
 a3 = (    0.4048    0.2290   -0.5466)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2374    0.9425    0.2277) (    0.0055    0.0016    0.0044)
 a2 = (    0.5665    0.0416    0.4184) (    0.0129    0.0049    0.0061)
 a3 = (    0.3880    0.2301   -0.5482) (    0.0091    0.0046    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   21.0368  140.5511  120.6763    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            123            115
# Figure of merit at the beginning and the end of the refinement
        15.2004        44.4691
# Chi-squares at the beginning and the end of the refinement
    0.0953    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3    1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -3    1   -1   -0.0240    0.0838   -0.0241    0.0824    0.0014    1
    4    1    1    0   -0.1879   -0.5929   -0.1976   -0.5890    0.0105    1
    5    2    0    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    1    0   -0.1025    0.1168   -0.1046    0.1173    0.0022    1
    7    3    1   -1    0.1278   -0.5944    0.1201   -0.5972    0.0081    1
    8    3   -1   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    3    1   -0.1927    0.0493   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    2    0   -2    0.5370   -0.5984    0.5314   -0.6143    0.0169    1
   12    0    2    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1   -3   -3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    1   -1   -2    0.5245   -0.1461    0.5323   -0.1459    0.0078    1
   15    1    3    1   -0.3380   -0.2416   -0.3358   -0.2354    0.0066    1
   16    0   -2   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1   -3    0.7150   -0.0775    0.7260   -0.0804    0.0114    1
   18    2    0   -4    1.0351   -0.4827    1.0655   -0.4953    0.0329    1
   19   -1   -3   -3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    0   -2   -4    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -1   -3    0.2950    0.3237    0.2970    0.3320    0.0085    1
   23   -2    0   -2    0.0371    0.2644    0.0342    0.2676    0.0044    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    3    1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3    1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3   -1   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1    3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0   -2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    2    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -1   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2   -2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1   -1   -3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    0   -4    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -1   -3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2   -4    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -1   -3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -2    0   -2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.5                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9967    1.4156    1.4175   90.2714   89.8102   90.2372      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0017    1.4086    1.4174   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0217    0.0268    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2373   -0.9475   -0.2290)
 a2 = (    0.3871    0.2259   -0.5461)
 a3 = (    0.5678    0.0440    0.4164)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2374   -0.9425   -0.2277) (    0.0055    0.0016    0.0044)
 a2 = (    0.3880    0.2301   -0.5482) (    0.0091    0.0046    0.0078)
 a3 = (    0.5665    0.0416    0.4184) (    0.0129    0.0049    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -163.5443   53.6269   94.2000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            151            151
# Figure of merit at the beginning and the end of the refinement
        32.3796        38.8077
# Chi-squares at the beginning and the end of the refinement
    0.0381    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    1   -0.0139   -0.1780   -0.0133   -0.1793    0.0015    1
    3    3   -1    1   -0.0247    0.0837   -0.0241    0.0824    0.0015    1
    4   -2    0    2   -0.1953   -0.5858   -0.1976   -0.5890    0.0039    1
    5   -2    0    0    0.0570   -0.2274    0.0566   -0.2258    0.0017    1
    6    2    0    2   -0.1030    0.1156   -0.1046    0.1173    0.0024    1
    7   -3   -1    1    0.1190   -0.5962    0.1201   -0.5972    0.0015    1
    8   -3   -1   -1    0.1449   -0.2236    0.1441   -0.2219    0.0019    1
    9    1    1    3   -0.1913    0.0485   -0.1940    0.0483    0.0027    1
   10   -1   -1   -1    0.2274   -0.1293    0.2267   -0.1283    0.0012    1
   11   -1   -1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0    2    4   -0.1806   -0.0372   -0.1815   -0.0378    0.0011    1
   13   -1   -3   -3    0.1989   -0.0088    0.1981   -0.0091    0.0008    1
   14   -2   -4   -2    0.5296   -0.1515    0.5323   -0.1459    0.0062    1
   15   -1    1    3   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16    0   -2   -2    0.1258    0.0356    0.1256    0.0356    0.0002    1
   17   -1   -3   -1    0.7283   -0.0837    0.7260   -0.0804    0.0040    1
   18   -2   -4    0    1.0532   -0.5163    1.0655   -0.4953    0.0244    1
   19    1   -3   -3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    0   -2   -1    0.4432    0.1637    0.4436    0.1639    0.0004    1
   21   -1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3   -1    0.2956    0.3307    0.2970    0.3320    0.0019    1
   23    1   -1    0    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3    1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3   -1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1    1    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -1    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    2    4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -4   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2   -2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -3   -1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -2   -4    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1   -3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -3   -1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    1   -1    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.7                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9980    1.4173    1.4140   90.2709   90.1883   90.2201      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0017    1.4086    1.4174   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0217    0.0268    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2355   -0.9472   -0.2267)
 a2 = (   -0.3857   -0.2291    0.5446)
 a3 = (   -0.5692   -0.0441   -0.4174)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2374   -0.9425   -0.2277) (    0.0055    0.0016    0.0044)
 a2 = (   -0.3880   -0.2301    0.5482) (    0.0091    0.0046    0.0078)
 a3 = (   -0.5665   -0.0416   -0.4184) (    0.0129    0.0049    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.4557  126.3731  -85.8000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            131            151
# Figure of merit at the beginning and the end of the refinement
        33.4682        38.8077
# Chi-squares at the beginning and the end of the refinement
    0.0585    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1   -1   -0.0141   -0.1764   -0.0133   -0.1793    0.0030    1
    3    3    1   -1   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4   -2    0   -2   -0.1964   -0.5836   -0.1976   -0.5890    0.0055    1
    5   -2    0    0    0.0560   -0.2254    0.0566   -0.2258    0.0006    1
    6    2    0   -2   -0.1049    0.1177   -0.1046    0.1173    0.0005    1
    7   -3    1   -1    0.1172   -0.5950    0.1201   -0.5972    0.0036    1
    8   -3    1    1    0.1433   -0.2216    0.1441   -0.2219    0.0008    1
    9    1   -1   -3   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10   -1    1    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11   -1    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0   -2   -4   -0.1825   -0.0380   -0.1815   -0.0378    0.0010    1
   13   -1    3    3    0.1958   -0.0081    0.1981   -0.0091    0.0025    1
   14   -2    4    2    0.5279   -0.1490    0.5323   -0.1459    0.0053    1
   15   -1   -1   -3   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16    0    2    2    0.1231    0.0352    0.1256    0.0356    0.0025    1
   17   -1    3    1    0.7267   -0.0799    0.7260   -0.0804    0.0008    1
   18   -2    4    0    1.0574   -0.5134    1.0655   -0.4953    0.0199    1
   19    1    3    3    0.0406    0.0273    0.0407    0.0272    0.0002    1
   20    0    2    1    0.4393    0.1646    0.4436    0.1639    0.0043    1
   21   -1   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    3    1    0.2927    0.3296    0.2970    0.3320    0.0049    1
   23    1    1    0    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3   -1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1   -1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0   -2   -4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    4    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2    2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1    3    1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -2    4    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1    3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    3    1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    1    1    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.16                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9959    1.4164    1.4180   90.6305   89.7947   90.0121      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9973    1.4171    1.4152   90.0000   90.0000   90.0000      0.0000         0.7047    1.0013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0236    0.0243    0.0000    0.0000    0.0000      0.0000         0.0121    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9579   -0.2717    0.1300)
 a2 = (    0.0273   -0.3807   -0.5940)
 a3 = (    0.2125   -0.5660    0.3633)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9565   -0.2722    0.1286) (    0.0018    0.0056    0.0043)
 a2 = (    0.0275   -0.3779   -0.5953) (    0.0033    0.0082    0.0096)
 a3 = (    0.2103   -0.5651    0.3684) (    0.0060    0.0113    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  171.3582   58.5760   20.4128    0.2869    0.3951    0.4041
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            157            148
# Figure of merit at the beginning and the end of the refinement
        22.4582        38.5742
# Chi-squares at the beginning and the end of the refinement
    0.0436    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7196   -0.0544   -0.7289   -0.0565    0.0095    1
    2   -1   -3   -3   -0.0138   -0.1796   -0.0133   -0.1793    0.0006    1
    3    0    2    4   -0.0240    0.0804   -0.0241    0.0824    0.0020    1
    4   -1   -3   -1   -0.1962   -0.5852   -0.1976   -0.5890    0.0040    1
    5    0   -2   -2    0.0580   -0.2290    0.0566   -0.2258    0.0036    1
    6   -1    1    3   -0.1006    0.1121   -0.1046    0.1173    0.0065    1
    7    0   -2   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1   -3   -3    0.1465   -0.2244    0.1441   -0.2219    0.0035    1
    9   -2    0    2   -0.1875    0.0471   -0.1940    0.0483    0.0067    1
   10    1   -1   -1    0.2286   -0.1288    0.2267   -0.1283    0.0020    1
   11    1   -3   -1    0.5340   -0.6127    0.5314   -0.6143    0.0031    1
   12   -3   -1    1   -0.1779   -0.0366   -0.1815   -0.0378    0.0038    1
   13    3   -1   -1    0.1990   -0.0084    0.1981   -0.0091    0.0011    1
   14    3   -3   -1    0.5289   -0.1491    0.5323   -0.1459    0.0046    1
   15   -1   -1    0   -0.3343   -0.2344   -0.3358   -0.2354    0.0018    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    2   -4    0    1.0550   -0.5104    1.0655   -0.4953    0.0184    1
   19    3    1    1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20    3   -1    1    0.4402    0.1638    0.4436    0.1639    0.0034    1
   21   -1   -1   -1   -0.0362   -0.0614   -0.0357   -0.0605    0.0010    1
   22    2    0    2    0.2924    0.3286    0.2970    0.3320    0.0057    1
   23    1    1    3    0.0327    0.2622    0.0342    0.2676    0.0057    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2   -1   -3   -3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    2    4   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1   -3   -1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0   -2   -2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6   -1    1    3   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0   -2   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1   -3   -3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9   -2    0    2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -3   -1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12   -3   -1    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3   -1   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3   -3   -1    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15   -1   -1    0   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17    1   -1    0    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18    2   -4    0    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19    3    1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    3   -1    1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21   -1   -1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    2    0    2    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23    1    1    3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.17                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0011    1.4142    1.4127   90.0450   90.3080   90.2532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0014    1.4132    1.4132   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0550    0.0529    0.0000    0.0000    0.0000      0.0000         0.0265    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1807   -0.1802    0.9658)
 a2 = (    0.3582    0.6077    0.0496)
 a3 = (   -0.5961    0.3375    0.1784)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1826   -0.1864    0.9639) (    0.0062    0.0057    0.0019)
 a2 = (    0.3580    0.6083    0.0498) (    0.0147    0.0236    0.0033)
 a3 = (   -0.5965    0.3365    0.1781) (    0.0229    0.0141    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   85.8317   75.4255 -119.4284    0.2635    0.4071    0.3315
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            159            149
# Figure of merit at the beginning and the end of the refinement
        34.1334        38.2063
# Chi-squares at the beginning and the end of the refinement
    0.0935    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7327   -0.0581   -0.7289   -0.0565    0.0041    1
    2    0    2    1   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3    1   -3   -3   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4    1    3    1   -0.1956   -0.5877   -0.1976   -0.5890    0.0023    1
    5    0    2    2    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6    1   -1   -3   -0.1051    0.1175   -0.1046    0.1173    0.0005    1
    7    1    3    3    0.1199   -0.5972    0.1201   -0.5972    0.0002    1
    8    0    2    4    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9    1    1   -3   -0.1940    0.0488   -0.1940    0.0483    0.0004    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    3    0.5331   -0.6144    0.5314   -0.6143    0.0016    1
   12    1    3   -3   -0.1824   -0.0378   -0.1815   -0.0378    0.0009    1
   13    0   -2    4    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14    1   -1    5    0.5297   -0.1509    0.5323   -0.1459    0.0056    1
   15    1    3   -1   -0.3377   -0.2381   -0.3358   -0.2354    0.0033    1
   16    0   -2    2    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17    1   -1    3    0.7289   -0.0833    0.7260   -0.0804    0.0041    1
   18    2    0    4    1.0551   -0.5162    1.0655   -0.4953    0.0233    1
   19    0   -2    1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20    1   -3    3    0.4437    0.1639    0.4436    0.1639    0.0001    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -3   -1    0.0342    0.2685    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0    2    1   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -3   -3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1    3    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    2    2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1   -1   -3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    1    3    3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0    2    4    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1    1   -3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0    1    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1    1    3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    1    3   -3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0   -2    4    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    1   -1    5    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1    3   -1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0   -2    2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1   -1    3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2    0    4    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0   -2    1    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1   -3    3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    2    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1   -3    1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1   -3   -1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.19                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0054    1.4007    1.4203   90.7045   90.2494   90.3582      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0014    1.4132    1.4132   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0550    0.0529    0.0000    0.0000    0.0000      0.0000         0.0265    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1772   -0.1938    0.9594)
 a2 = (   -0.3549   -0.6171   -0.0544)
 a3 = (    0.5937   -0.3361   -0.1743)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1826   -0.1864    0.9639) (    0.0062    0.0057    0.0019)
 a2 = (   -0.3580   -0.6083   -0.0498) (    0.0147    0.0236    0.0033)
 a3 = (    0.5965   -0.3365   -0.1781) (    0.0229    0.0141    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   94.1683  104.5745   60.5716    0.2635    0.4071    0.3315
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            135            149
# Figure of merit at the beginning and the end of the refinement
        13.2783        38.2063
# Chi-squares at the beginning and the end of the refinement
    0.4101    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2    0   -2   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1    3    3   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -3   -1   -0.1913   -0.5883   -0.1976   -0.5890    0.0064    1
    5    0   -2   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1    3   -0.1042    0.1182   -0.1046    0.1173    0.0010    1
    7    1   -3   -3    0.1199   -0.5930    0.1201   -0.5972    0.0042    1
    8    0   -2   -4    0.1424   -0.2206    0.1441   -0.2219    0.0021    1
    9    1   -1    3   -0.1994    0.0504   -0.1940    0.0483    0.0058    1
   10    0    0   -1    0.2224   -0.1259    0.2267   -0.1283    0.0050    1
   11    1   -1   -3    0.5317   -0.6096    0.5314   -0.6143    0.0047    1
   12    1   -3    3   -0.1896   -0.0407   -0.1815   -0.0378    0.0086    1
   13    0    2   -4    0.1905   -0.0068    0.1981   -0.0091    0.0079    1
   14    1    1   -5    0.5246   -0.1450    0.5323   -0.1459    0.0077    1
   15    1   -3    1   -0.3402   -0.2449   -0.3358   -0.2354    0.0105    1
   16    0    2   -2    0.1162    0.0344    0.1256    0.0356    0.0094    1
   17    1    1   -3    0.7217   -0.0727    0.7260   -0.0804    0.0088    1
   18    2    0   -4    1.0576   -0.5010    1.0655   -0.4953    0.0097    1
   19    0    2   -1    0.0341    0.0235    0.0407    0.0272    0.0076    1
   20    1    3   -3    0.4295    0.1669    0.4436    0.1639    0.0144    1
   21    0   -2    0   -0.0381   -0.0662   -0.0357   -0.0605    0.0062    1
   22    1    3   -1    0.2810    0.3243    0.2970    0.3320    0.0177    1
   23    1    3    1    0.0317    0.2572    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0   -2   -1   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    3    3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    1   -3   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2   -2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6    1    1    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    1   -3   -3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0   -2   -4    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1   -1    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0   -1    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1   -1   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    1   -3    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0    2   -4    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    1    1   -5    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    1   -3    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    2   -2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17    1    1   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    2    0   -4    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0    2   -1    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20    1    3   -3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0   -2    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22    1    3   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23    1    3    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.21                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9999    1.4147    1.4139   90.0137   90.4371   90.1576      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0014    1.4132    1.4132   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0529    0.0550    0.0000    0.0000    0.0000      0.0000         0.0276    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1859    0.1771   -0.9667)
 a2 = (    0.5952   -0.3370   -0.1782)
 a3 = (   -0.3583   -0.6079   -0.0480)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1826    0.1864   -0.9639) (    0.0062    0.0057    0.0019)
 a2 = (    0.5965   -0.3365   -0.1781) (    0.0229    0.0141    0.0043)
 a3 = (   -0.3580   -0.6083   -0.0498) (    0.0147    0.0236    0.0033)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -104.6115   94.0339  -30.4790    0.4091    0.2533    0.3348
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            151            151
# Figure of merit at the beginning and the end of the refinement
        23.0619        37.9524
# Chi-squares at the beginning and the end of the refinement
    0.1874    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7292   -0.0601   -0.7289   -0.0565    0.0036    1
    2    0   -2   -4   -0.0137   -0.1756   -0.0133   -0.1793    0.0038    1
    3   -1    3    3   -0.0262    0.0878   -0.0241    0.0824    0.0058    1
    4   -1   -1   -3   -0.1960   -0.5841   -0.1976   -0.5890    0.0052    1
    5    0   -2   -2    0.0565   -0.2253    0.0566   -0.2258    0.0005    1
    6   -1    3    1   -0.1063    0.1183   -0.1046    0.1173    0.0020    1
    7   -1   -3   -3    0.1177   -0.5959    0.1201   -0.5972    0.0027    1
    8    0   -2   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1    3   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -3   -1    0.5313   -0.6170    0.5314   -0.6143    0.0027    1
   12   -1    3   -3   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    0   -2    1    0.1987   -0.0085    0.1981   -0.0091    0.0009    1
   14   -1   -5    1    0.5313   -0.1519    0.5323   -0.1459    0.0060    1
   15   -1    1   -3   -0.3355   -0.2367   -0.3358   -0.2354    0.0013    1
   16    0   -2    2    0.1263    0.0359    0.1256    0.0356    0.0007    1
   17   -1   -3    1    0.7324   -0.0845    0.7260   -0.0804    0.0076    1
   18   -2   -4    0    1.0581   -0.5234    1.0655   -0.4953    0.0291    1
   19    0   -2    4    0.0432    0.0289    0.0407    0.0272    0.0030    1
   20   -1   -3    3    0.4463    0.1651    0.4436    0.1639    0.0030    1
   21    0    0   -1   -0.0346   -0.0586   -0.0357   -0.0605    0.0022    1
   22   -1   -1    3    0.2988    0.3349    0.2970    0.3320    0.0034    1
   23   -1    1    3    0.0341    0.2713    0.0342    0.2676    0.0037    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0   -2   -4   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1    3    3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1   -1   -3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0   -2   -2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1    3    1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1   -3   -3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0   -2   -1    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1    3   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0   -2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1   -3   -1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1    3   -3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0   -2    1    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1   -5    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1    1   -3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0   -2    2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1   -3    1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2   -4    0    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0   -2    4    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1   -3    3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    0   -1   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1   -1    3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1    1    3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.25                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9999    1.4090    1.4197   90.0476   90.4090   89.8237      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0014    1.4132    1.4132   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0529    0.0550    0.0000    0.0000    0.0000      0.0000         0.0276    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1770    0.1914   -0.9656)
 a2 = (   -0.5977    0.3384    0.1789)
 a3 = (    0.3568    0.6053    0.0494)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1826    0.1864   -0.9639) (    0.0062    0.0057    0.0019)
 a2 = (   -0.5965    0.3365    0.1781) (    0.0229    0.0141    0.0043)
 a3 = (    0.3580    0.6083    0.0498) (    0.0147    0.0236    0.0033)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -75.3885   85.9661  149.5210    0.4091    0.2533    0.3348
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            167            151
# Figure of merit at the beginning and the end of the refinement
        29.2266        37.9524
# Chi-squares at the beginning and the end of the refinement
    0.1160    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7356   -0.0491   -0.7289   -0.0565    0.0099    1
    2    0    2    4   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3   -1   -3   -3   -0.0254    0.0853   -0.0241    0.0824    0.0032    1
    4   -1    1    3   -0.1965   -0.5935   -0.1976   -0.5890    0.0046    1
    5    0    2    2    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6   -1   -3   -1   -0.1040    0.1168   -0.1046    0.1173    0.0008    1
    7   -1    3    3    0.1239   -0.5996    0.1201   -0.5972    0.0045    1
    8    0    2    1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9   -1   -3    1   -0.1927    0.0498   -0.1940    0.0483    0.0020    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    1    0.5386   -0.6113    0.5314   -0.6143    0.0078    1
   12   -1   -3    3   -0.1824   -0.0366   -0.1815   -0.0378    0.0015    1
   13    0    2   -1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14   -1    5   -1    0.5293   -0.1495    0.5323   -0.1459    0.0047    1
   15   -1   -1    3   -0.3409   -0.2377   -0.3358   -0.2354    0.0056    1
   16    0    2   -2    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17   -1    3   -1    0.7276   -0.0805    0.7260   -0.0804    0.0016    1
   18   -2    4    0    1.0591   -0.5047    1.0655   -0.4953    0.0115    1
   19    0    2   -4    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20   -1    3   -3    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1   -3    0.2966    0.3320    0.2970    0.3320    0.0004    1
   23   -1   -1   -3    0.0338    0.2680    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0    2    4   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1   -3   -3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    1    3   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    2    2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1   -3   -1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1    3    3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0    2    1    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1   -3    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1    3    1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1   -3    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0    2   -1    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1    5   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1   -1    3   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0    2   -2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1    3   -1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2    4    0    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0    2   -4    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1    3   -3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    0    1   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1    1   -3    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1   -1   -3    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.26                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9982    1.4195    1.4118   90.3082   90.8218   90.5735      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9973    1.4152    1.4171   90.0000   90.0000   90.0000      0.0000         0.7037    0.9987
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0243    0.0236    0.0000    0.0000    0.0000      0.0000         0.0117    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9567   -0.2692    0.1274)
 a2 = (   -0.2143    0.5608   -0.3687)
 a3 = (    0.0171   -0.3810   -0.5970)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9565   -0.2722    0.1286) (    0.0018    0.0056    0.0043)
 a2 = (   -0.2103    0.5651   -0.3684) (    0.0060    0.0113    0.0051)
 a3 = (    0.0275   -0.3779   -0.5953) (    0.0033    0.0082    0.0096)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  166.1836  147.5270    4.1612    0.4802    0.3868    0.4652
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            143            153
# Figure of merit at the beginning and the end of the refinement
        18.7542        37.9387
# Chi-squares at the beginning and the end of the refinement
    0.0395    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7221   -0.0560   -0.7289   -0.0565    0.0068    1
    2   -1    3   -3   -0.0152   -0.1789   -0.0133   -0.1793    0.0020    1
    3    0   -2    1   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4   -1    1   -3   -0.2048   -0.5845   -0.1976   -0.5890    0.0084    1
    5    0    2   -2    0.0562   -0.2286    0.0566   -0.2258    0.0028    1
    6   -1   -3    1   -0.1058    0.1174   -0.1046    0.1173    0.0012    1
    7    0    2   -4    0.1132   -0.6026    0.1201   -0.5972    0.0088    1
    8    1    3   -3    0.1448   -0.2242    0.1441   -0.2219    0.0024    1
    9   -1   -1    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1   -3    0.5332   -0.6259    0.5314   -0.6143    0.0117    1
   12   -3   -1   -1   -0.1826   -0.0374   -0.1815   -0.0378    0.0011    1
   13    3    1   -1    0.1964   -0.0085    0.1981   -0.0091    0.0018    1
   14    3    1   -3    0.5320   -0.1521    0.5323   -0.1459    0.0061    1
   15   -2    0   -2   -0.3379   -0.2339   -0.3358   -0.2354    0.0027    1
   16    2    0    0    0.1234    0.0347    0.1256    0.0356    0.0024    1
   17    2    0   -2    0.7342   -0.0843    0.7260   -0.0804    0.0091    1
   18    2    0   -4    1.0690   -0.5318    1.0655   -0.4953    0.0367    1
   19    3   -1    1    0.0405    0.0268    0.0407    0.0272    0.0005    1
   20    3   -1   -1    0.4437    0.1639    0.4436    0.1639    0.0001    1
   21   -1    1   -1   -0.0367   -0.0613   -0.0357   -0.0605    0.0013    1
   22    1   -1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -3    1    0.0342    0.2685    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2   -1    3   -3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -2    1   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    1   -3   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0    2   -2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6   -1   -3    1   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0    2   -4    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1    3   -3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9   -1   -1    0   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10    1    1   -1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11    1    1   -3    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12   -3   -1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3    1   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14    3    1   -3    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15   -2    0   -2   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17    2    0   -2    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18    2    0   -4    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19    3   -1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    3   -1   -1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21   -1    1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -1    0    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23    1   -3    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.27                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0001    1.4100    1.4185   90.0954   91.1136   90.1116      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9973    1.4152    1.4171   90.0000   90.0000   90.0000      0.0000         0.7037    0.9987
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0243    0.0236    0.0000    0.0000    0.0000      0.0000         0.0117    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9523    0.2778   -0.1270)
 a2 = (   -0.2132    0.5680   -0.3672)
 a3 = (   -0.0170    0.3792    0.5942)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9565    0.2722   -0.1286) (    0.0018    0.0056    0.0043)
 a2 = (   -0.2103    0.5651   -0.3684) (    0.0060    0.0113    0.0051)
 a3 = (   -0.0275    0.3779    0.5953) (    0.0033    0.0082    0.0096)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.1836   32.4730 -175.8388    0.4802    0.3868    0.4652
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            133            153
# Figure of merit at the beginning and the end of the refinement
        18.1537        37.9387
# Chi-squares at the beginning and the end of the refinement
    0.0821    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7221   -0.0560   -0.7289   -0.0565    0.0068    1
    2    1    3    3   -0.0148   -0.1763   -0.0133   -0.1793    0.0034    1
    3    0   -2   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    1    3   -0.2011   -0.5797   -0.1976   -0.5890    0.0099    1
    5    0    2    2    0.0550   -0.2262    0.0566   -0.2258    0.0016    1
    6    1   -3   -1   -0.1047    0.1174   -0.1046    0.1173    0.0002    1
    7    0    2    4    0.1115   -0.5982    0.1201   -0.5972    0.0087    1
    8   -1    3    3    0.1431   -0.2234    0.1441   -0.2219    0.0017    1
    9    1   -1    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    3    0.5332   -0.6259    0.5314   -0.6143    0.0117    1
   12    3   -1    1   -0.1819   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -3    1    1    0.1967   -0.0073    0.1981   -0.0091    0.0023    1
   14   -3    1    3    0.5339   -0.1492    0.5323   -0.1459    0.0036    1
   15    2    0    2   -0.3344   -0.2349   -0.3358   -0.2354    0.0015    1
   16   -2    0    0    0.1229    0.0359    0.1256    0.0356    0.0027    1
   17   -2    0    2    0.7360   -0.0770    0.7260   -0.0804    0.0105    1
   18   -2    0    4    1.0777   -0.5252    1.0655   -0.4953    0.0324    1
   19   -3   -1   -1    0.0402    0.0273    0.0407    0.0272    0.0005    1
   20   -3   -1    1    0.4397    0.1689    0.4436    0.1639    0.0064    1
   21    1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -1    0    0.2895    0.3313    0.2970    0.3320    0.0075    1
   23   -1   -3   -1    0.0331    0.2646    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2    1    3    3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -2   -1   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1    1    3   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0    2    2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1   -3   -1   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0    2    4    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1    3    3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    1   -1    0   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1    1    1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    1    3    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12    3   -1    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3    1    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3    1    3    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15    2    0    2   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -2    0    2    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -2    0    4    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19   -3   -1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3   -1    1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21    1    1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1   -1    0    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23   -1   -3   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.28                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3947    1.4151    1.0141   91.0375   91.6761   89.0851      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4127    1.4116    1.0029   90.0000   90.0000   90.0000      0.0000         1.4085    1.4075
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0195    0.0412    0.0000    0.0000    0.0000      0.0000         0.0578    0.0585
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6041    0.3420    0.1809)
 a2 = (   -0.3492   -0.6124   -0.0515)
 a3 = (    0.1480   -0.1850    0.9578)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5964    0.3372    0.1779) (    0.0021    0.0038    0.0053)
 a2 = (   -0.3589   -0.6088   -0.0494) (    0.0066    0.0084    0.0033)
 a3 = (    0.1822   -0.1855    0.9626) (    0.0131    0.0124    0.0379)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  105.5050   15.1201   44.4868    0.9571    0.4508    1.0596
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0010      0.0023    0.0022    0.0400

# Number of computed bands
            400            159
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.8970
# Chi-squares at the beginning and the end of the refinement
    0.1261    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    2   -4    0   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -3    3    1   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    1   -3    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1   -1    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -3    1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    3   -3    1    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    4   -2    0    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9   -3   -1    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    2    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12   -3   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    4    2    0    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    5    1    1    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15   -1   -3    1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3    1    1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    2    0    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19    2    4    0    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    3    3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    0   -2    0   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22    1    3    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -1    3    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7293   -0.0555   -0.7289   -0.0565    0.0011    1
    2    2   -4    0   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    3    1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    1   -3    1   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5    1   -1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -3    1    1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    3   -3    1    0.1197   -0.5971    0.1201   -0.5972    0.0004    1
    8    4   -2    0    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -3   -1    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    2    0    0    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11    3   -1    1    0.5344   -0.6141    0.5314   -0.6143    0.0030    1
   12   -3   -3    1   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    4    2    0    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    5    1    1    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15   -1   -3    1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    1    1    0    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17    3    1    1    0.7282   -0.0807    0.7260   -0.0804    0.0022    1
   18    2    0    1    1.0587   -0.5121    1.0655   -0.4953    0.0182    1
   19    2    4    0    0.0420    0.0276    0.0407    0.0272    0.0013    1
   20    3    3    1    0.4419    0.1643    0.4436    0.1639    0.0017    1
   21    0   -2    0   -0.0351   -0.0606   -0.0357   -0.0605    0.0005    1
   22    1    3    1    0.2950    0.3306    0.2970    0.3320    0.0025    1
   23   -1    3    1    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.29                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4013    1.4486    0.9855   90.2684   90.9158   90.7237      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4137    1.4138    1.0006   90.0000   90.0000   90.0000      0.0000         1.4128    1.4130
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0370    0.0182    0.0000    0.0000    0.0000      0.0000         0.0257    0.0281
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4026    0.2277   -0.5436)
 a2 = (    0.5507    0.0427    0.4142)
 a3 = (    0.2550   -0.9544   -0.2323)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3854    0.2289   -0.5472) (    0.0057    0.0032    0.0041)
 a2 = (    0.5688    0.0422    0.4183) (    0.0181    0.0054    0.0069)
 a3 = (    0.2374   -0.9438   -0.2275) (    0.0075    0.0172    0.0055)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -52.6007  103.1568   14.1201    0.5477    0.2636    0.3328
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0035      0.0023    0.0022    0.0127

# Number of computed bands
            400            159
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.8658
# Chi-squares at the beginning and the end of the refinement
    0.3915    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    1    1   -3   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -1    1    3   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    0    2   -2   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    0    0   -1    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6    0    2    2   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7   -1    1   -3    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8   -1   -1   -3    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9    1    3    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10   -1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0   -2    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    2    4    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3   -3   -1    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14   -4   -2   -2    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    1    3   -1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16   -1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1   -1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18   -2    0   -1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -3   -3    1    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20   -4   -2    0    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1    1   -1   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22   -3   -1    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -2    0    2    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2    1    1   -3   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -1    1    3   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    0    2   -2   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0    0   -1    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6    0    2    2   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -1    1   -3    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1   -1   -3    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9    1    3    1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10   -1   -1   -1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2    0   -2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    2    4    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -3   -3   -1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -4   -2   -2    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15    1    3   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16   -1   -1    0    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -3   -1   -1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18   -2    0   -1    1.0605   -0.5115    1.0655   -0.4953    0.0169    1
   19   -3   -3    1    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20   -4   -2    0    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    1    1   -1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -3   -1    1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23   -2    0    2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.30                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3987    1.4232    1.0048   90.0993   90.1386   90.8193      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4138    1.4137    1.0006   90.0000   90.0000   90.0000      0.0000         1.4130    1.4128
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0370    0.0199    0.0000    0.0000    0.0000      0.0000         0.0281    0.0257
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5755   -0.0446   -0.4220)
 a2 = (    0.3740    0.2247   -0.5508)
 a3 = (    0.2355   -0.9402   -0.2259)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5688   -0.0422   -0.4183) (    0.0037    0.0048    0.0052)
 a2 = (    0.3854    0.2289   -0.5472) (    0.0153    0.0071    0.0109)
 a3 = (    0.2374   -0.9438   -0.2275) (    0.0072    0.0189    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -142.6007  103.1568   14.1201    0.5477    0.2636    0.3328
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0035      0.0023    0.0022    0.0127

# Number of computed bands
            400            159
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.8658
# Chi-squares at the beginning and the end of the refinement
    0.0885    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    1   -3   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -1   -1    3   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -2    0   -2   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0    0   -1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -2    0    2   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7   -1   -1   -3    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    1   -1   -3    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -3    1    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -2   -2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -4    2    0   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    3   -3   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -4   -2    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -3    1   -1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3   -1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    0   -2   -1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    3   -3    1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    2   -4    0    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21   -1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1   -3    1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    0   -2    2    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2   -1    1   -3   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -1   -1    3   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4   -2    0   -2   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    0    0   -1    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6   -2    0    2   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7   -1   -1   -3    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    1   -1   -3    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -3    1    1   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10    1   -1   -1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11    0   -2   -2    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12   -4    2    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    3   -3   -1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    2   -4   -2    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15   -3    1   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    1   -1    0    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    1   -3   -1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18    0   -2   -1    1.0605   -0.5115    1.0655   -0.4953    0.0169    1
   19    3   -3    1    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    2   -4    0    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21   -1    1   -1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -3    1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23    0   -2    2    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.31                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0038    1.4110    1.4121   90.0214   90.0419   90.1874      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0014    1.4132    1.4132   90.0000   90.0000   90.0000      0.0000         0.7086    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0550    0.0529    0.0000    0.0000    0.0000      0.0000         0.0265    0.0135
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1807    0.1876   -0.9615)
 a2 = (    0.3596    0.6088    0.0488)
 a3 = (    0.5964   -0.3376   -0.1785)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1826    0.1864   -0.9639) (    0.0062    0.0057    0.0019)
 a2 = (    0.3580    0.6083    0.0498) (    0.0147    0.0236    0.0033)
 a3 = (    0.5965   -0.3365   -0.1781) (    0.0229    0.0141    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -85.8317  104.5745   60.5716    0.2635    0.4071    0.3315
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            159            152
# Figure of merit at the beginning and the end of the refinement
        34.7925        37.8273
# Chi-squares at the beginning and the end of the refinement
    0.0316    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7279   -0.0535   -0.7289   -0.0565    0.0032    1
    2    0    2   -1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -1   -3    3   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -1    3   -1   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5    0    2   -2    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1   -1    3   -0.1035    0.1163   -0.1046    0.1173    0.0015    1
    7   -1    3   -3    0.1191   -0.5961    0.1201   -0.5972    0.0015    1
    8    0    2   -4    0.1443   -0.2224    0.1441   -0.2219    0.0005    1
    9   -1    1    3   -0.1915    0.0486   -0.1940    0.0483    0.0026    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1   -3    0.5339   -0.6131    0.5314   -0.6143    0.0027    1
   12   -1    3    3   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13    0   -2   -4    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -1   -5    0.5291   -0.1493    0.5323   -0.1459    0.0046    1
   15   -1    3    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1   -3    0.7272   -0.0800    0.7260   -0.0804    0.0012    1
   18   -2    0   -4    1.0575   -0.5095    1.0655   -0.4953    0.0164    1
   19    0   -2   -1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1   -3   -3    0.4414    0.1644    0.4436    0.1639    0.0022    1
   21    0    2    0   -0.0351   -0.0594   -0.0357   -0.0605    0.0012    1
   22   -1   -3   -1    0.2944    0.3303    0.2970    0.3320    0.0031    1
   23   -1   -3    1    0.0342    0.2663    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    0    2   -1   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1   -3    3   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4   -1    3   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    0    2   -2    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1   -1    3   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7   -1    3   -3    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    0    2   -4    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9   -1    1    3   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0   -1    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -1    1   -3    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12   -1    3    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    0   -2   -4    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1   -1   -5    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15   -1    3    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16    0   -2   -2    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1   -1   -3    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18   -2    0   -4    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19    0   -2   -1    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -1   -3   -3    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    0    2    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -1   -3   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -1   -3    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.33                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0006    1.4170    1.4106   90.0240   90.3301   89.5247      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9973    1.4152    1.4171   90.0000   90.0000   90.0000      0.0000         0.7037    0.9987
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0243    0.0236    0.0000    0.0000    0.0000      0.0000         0.0117    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9531    0.2716   -0.1294)
 a2 = (    0.2051   -0.5646    0.3704)
 a3 = (    0.0317   -0.3806   -0.5972)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9565    0.2722   -0.1286) (    0.0018    0.0056    0.0043)
 a2 = (    0.2103   -0.5651    0.3684) (    0.0060    0.0113    0.0051)
 a3 = (    0.0275   -0.3779   -0.5953) (    0.0033    0.0082    0.0096)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.8164  147.5270    4.1612    0.4802    0.3868    0.4652
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            159            154
# Figure of merit at the beginning and the end of the refinement
        28.2297        37.8153
# Chi-squares at the beginning and the end of the refinement
    0.0379    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7397   -0.0576   -0.7289   -0.0565    0.0108    1
    2    1   -3   -3   -0.0138   -0.1763   -0.0133   -0.1793    0.0031    1
    3    0    2    1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    1   -1   -3   -0.1944   -0.5889   -0.1976   -0.5890    0.0032    1
    5    0   -2   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    3    1   -0.1059    0.1194   -0.1046    0.1173    0.0024    1
    7    0   -2   -4    0.1209   -0.5970    0.1201   -0.5972    0.0008    1
    8   -1   -3   -3    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    1    0   -0.1956    0.0495   -0.1940    0.0483    0.0020    1
   10   -1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1   -3    0.5354   -0.6130    0.5314   -0.6143    0.0042    1
   12    3    1   -1   -0.1832   -0.0381   -0.1815   -0.0378    0.0017    1
   13   -3   -1   -1    0.1983   -0.0083    0.1981   -0.0091    0.0008    1
   14   -3   -1   -3    0.5305   -0.1497    0.5323   -0.1459    0.0042    1
   15    2    0   -2   -0.3383   -0.2395   -0.3358   -0.2354    0.0048    1
   16   -2    0    0    0.1255    0.0358    0.1256    0.0356    0.0002    1
   17   -2    0   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -2    0   -4    1.0571   -0.5092    1.0655   -0.4953    0.0163    1
   19   -3    1    1    0.0424    0.0285    0.0407    0.0272    0.0021    1
   20   -3    1   -1    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    1   -1   -1   -0.0350   -0.0595   -0.0357   -0.0605    0.0013    1
   22   -1    1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    3    1    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2    1   -3   -3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    2    1   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1   -1   -3   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0   -2   -2    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1    3    1   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0   -2   -4    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1   -3   -3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    1    1    0   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1   -1   -1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -1   -3    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12    3    1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3   -1   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3   -1   -3    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15    2    0   -2   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -2    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -2    0   -2    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -2    0   -4    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19   -3    1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3    1   -1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21    1   -1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1    1    0    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23   -1    3    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.41                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4089    1.4131    1.0048   90.6783   90.7175   90.8180      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4132    1.4167    0.9990   90.0000   90.0000   90.0000      0.0000         1.4146    1.4181
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0291    0.0184    0.0000    0.0000    0.0000      0.0000         0.0260    0.0248
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0170    0.3800    0.5994)
 a2 = (    0.2185   -0.5601    0.3735)
 a3 = (    0.9495    0.2693   -0.1288)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0273    0.3797    0.5965) (    0.0032    0.0042    0.0027)
 a2 = (    0.2099   -0.5642    0.3687) (    0.0063    0.0138    0.0051)
 a3 = (    0.9549    0.2711   -0.1288) (    0.0178    0.0074    0.0047)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   58.2199   97.3956  105.8511    0.4241    0.2532    0.3430
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0021    0.0024    0.0149

# Number of computed bands
            400            165
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.6887
# Chi-squares at the beginning and the end of the refinement
    0.6466    0.0101
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -3    1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -2    4    0   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4    3   -1    1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    1   -1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1    3    1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7    4   -2    0    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    3   -3   -1    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    0    2    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    1    3   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    1   -1   -3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    3   -1   -3    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15    2    0    2   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    0   -2    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    2    0   -1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19   -1    1   -3    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    1    1   -3    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    0    2   -2    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23   -1    3   -1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    3   -3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -2    4    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    3   -1    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1   -1    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    3    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    4   -2    0    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    3   -3   -1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    0    2    2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    3   -1   -1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    1    1    3   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1   -1   -3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    3   -1   -3    0.5293   -0.1494    0.5323   -0.1459    0.0045    1
   15    2    0    2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0    0   -1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    2    0   -2    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18    2    0   -1    1.0586   -0.5120    1.0655   -0.4953    0.0181    1
   19   -1    1   -3    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    1   -3    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0    2   -2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1    3   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.44                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4207    1.4214    0.9906   90.5831   90.8227   89.9988      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4116    1.4127    1.0029   90.0000   90.0000   90.0000      0.0000         1.4075    1.4085
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0195    0.0417    0.0000    0.0000    0.0000      0.0000         0.0585    0.0578
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3570   -0.6048   -0.0485)
 a2 = (   -0.5925    0.3354    0.1774)
 a3 = (   -0.2015    0.1801   -0.9728)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3589   -0.6088   -0.0494) (    0.0036    0.0022    0.0032)
 a2 = (   -0.5964    0.3372    0.1779) (    0.0088    0.0056    0.0058)
 a3 = (   -0.1822    0.1855   -0.9626) (    0.0132    0.0124    0.0384)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -15.5050  164.8799 -135.5132    0.9571    0.4508    1.0596
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0010      0.0023    0.0022    0.0400

# Number of computed bands
            400            163
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.4291
# Chi-squares at the beginning and the end of the refinement
    0.0887    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -4    2    0   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    3   -3   -1   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -3    1   -1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5   -1    1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1   -3   -1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7   -3    3   -1    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8   -2    4    0    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -1   -3   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3   -3   -1   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    2    4    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1    5   -1    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -3   -1   -1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3   -1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    0    2   -1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    4    2    0    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    3    3   -1    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21   -2    0    0   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    3    1   -1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    3   -1   -1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7293   -0.0555   -0.7289   -0.0565    0.0011    1
    2   -4    2    0   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3    3   -3   -1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -3    1   -1   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5   -1    1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -3   -1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -3    3   -1    0.1197   -0.5971    0.1201   -0.5972    0.0004    1
    8   -2    4    0    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -3   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    2    0    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11   -1    3   -1    0.5344   -0.6141    0.5314   -0.6143    0.0030    1
   12   -3   -3   -1   -0.1813   -0.0378   -0.1815   -0.0378    0.0002    1
   13    2    4    0    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    1    5   -1    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15   -3   -1   -1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    1    1    0    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17    1    3   -1    0.7282   -0.0807    0.7260   -0.0804    0.0022    1
   18    0    2   -1    1.0587   -0.5121    1.0655   -0.4953    0.0182    1
   19    4    2    0    0.0420    0.0276    0.0407    0.0272    0.0013    1
   20    3    3   -1    0.4419    0.1643    0.4436    0.1639    0.0017    1
   21   -2    0    0   -0.0351   -0.0606   -0.0357   -0.0605    0.0005    1
   22    3    1   -1    0.2950    0.3306    0.2970    0.3320    0.0025    1
   23    3   -1   -1    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.46                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4126    1.4133    1.0017   90.1124   90.0110   90.0072      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4132    1.4132    1.0014   90.0000   90.0000   90.0000      0.0000         1.4112    1.4112
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0191    0.0390    0.0000    0.0000    0.0000      0.0000         0.0549    0.0528
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3590    0.6082    0.0488)
 a2 = (    0.5958   -0.3373   -0.1784)
 a3 = (   -0.1816    0.1848   -0.9640)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3580    0.6083    0.0498) (    0.0035    0.0021    0.0031)
 a2 = (    0.5965   -0.3365   -0.1781) (    0.0085    0.0054    0.0056)
 a3 = (   -0.1826    0.1864   -0.9639) (    0.0122    0.0116    0.0361)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  164.3813  164.8536 -135.5804    0.9351    0.4136    1.0479
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            169            157
# Figure of merit at the beginning and the end of the refinement
        36.0958        37.2201
# Chi-squares at the beginning and the end of the refinement
    0.0292    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7301   -0.0553   -0.7289   -0.0565    0.0017    1
    2    4   -2    0   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -3    3   -1   -0.0254    0.0860   -0.0241    0.0824    0.0038    1
    4    3   -1   -1   -0.1965   -0.5860   -0.1976   -0.5890    0.0032    1
    5    1   -1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1    3   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    3   -3   -1    0.1190   -0.5968    0.1201   -0.5972    0.0011    1
    8    2   -4    0    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    1    3   -1   -0.1929    0.0488   -0.1940    0.0483    0.0013    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3   -1    0.5339   -0.6146    0.5314   -0.6143    0.0025    1
   12    3    3   -1   -0.1812   -0.0373   -0.1815   -0.0378    0.0006    1
   13   -2   -4    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -5   -1    0.5300   -0.1501    0.5323   -0.1459    0.0047    1
   15    3    1   -1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16   -1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3   -1    0.7291   -0.0813    0.7260   -0.0804    0.0032    1
   18    0   -2   -1    1.0586   -0.5134    1.0655   -0.4953    0.0194    1
   19   -4   -2    0    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -3   -3   -1    0.4430    0.1647    0.4436    0.1639    0.0010    1
   21    2    0    0   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -3   -1   -1    0.2959    0.3318    0.2970    0.3320    0.0011    1
   23   -3    1   -1    0.0342    0.2681    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    4   -2    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -3    3   -1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    3   -1   -1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    1   -1    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1    3   -1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    3   -3   -1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    2   -4    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1    3   -1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0   -2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1   -3   -1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    3    3   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -2   -4    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1   -5   -1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    3    1   -1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16   -1   -1    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1   -3   -1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    0   -2   -1    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -4   -2    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -3   -3   -1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    2    0    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -3   -1   -1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -3    1   -1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.48                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4108    1.4148    1.0021   90.3879   90.3114   90.1963      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4171    1.4152    0.9973   90.0000   90.0000   90.0000      0.0000         1.4210    1.4191
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0268    0.0166    0.0000    0.0000    0.0000      0.0000         0.0237    0.0244
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0314   -0.3789   -0.5982)
 a2 = (   -0.2051    0.5652   -0.3717)
 a3 = (    0.9522    0.2701   -0.1275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0275   -0.3779   -0.5953) (    0.0032    0.0040    0.0026)
 a2 = (   -0.2103    0.5651   -0.3684) (    0.0059    0.0127    0.0049)
 a3 = (    0.9565    0.2722   -0.1286) (    0.0163    0.0067    0.0046)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -121.7158   97.3666  105.8823    0.3980    0.2455    0.3378
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            163            159
# Figure of merit at the beginning and the end of the refinement
        22.0792        37.2160
# Chi-squares at the beginning and the end of the refinement
    0.1730    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2   -3    3    1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    2   -4    0   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4   -3    1    1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5   -1    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -3    1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7   -4    2    0    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8   -3    3   -1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    0   -2    2   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10   -1    1   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -3    1   -1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12   -1   -1    3   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13   -1    1   -3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -3    1   -3    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15   -2    0    2   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    0   -1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -2    0   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -2    0   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    1   -1   -3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -1   -1   -3    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21   -1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -2   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -3   -1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2   -3    3    1   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    2   -4    0   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -3    1    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5   -1    1    0    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1   -3    1   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7   -4    2    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -3    3   -1    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    0   -2    2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1    1   -1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -3    1   -1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12   -1   -1    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -1    1   -3    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3    1   -3    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15   -2    0    2   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    0    0   -1    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -2    0   -2    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -2    0   -1    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19    1   -1   -3    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -1   -1   -3    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21   -1    1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    0   -2   -2    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23    1   -3   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.49                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4140    1.4158    0.9991   90.0823   89.9588   90.1466      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4171    1.4152    0.9973   90.0000   90.0000   90.0000      0.0000         1.4210    1.4191
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0268    0.0166    0.0000    0.0000    0.0000      0.0000         0.0237    0.0244
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0276   -0.3803   -0.5956)
 a2 = (    0.2092   -0.5651    0.3684)
 a3 = (   -0.9548   -0.2708    0.1296)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0275   -0.3779   -0.5953) (    0.0032    0.0040    0.0026)
 a2 = (    0.2103   -0.5651    0.3684) (    0.0059    0.0127    0.0049)
 a3 = (   -0.9565   -0.2722    0.1286) (    0.0163    0.0067    0.0046)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -58.2842   82.6334  -74.1177    0.3980    0.2455    0.3378
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            169            159
# Figure of merit at the beginning and the end of the refinement
        36.0958        37.2160
# Chi-squares at the beginning and the end of the refinement
    0.0346    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7301   -0.0553   -0.7289   -0.0565    0.0017    1
    2   -3   -3   -1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    2    4    0   -0.0254    0.0860   -0.0241    0.0824    0.0038    1
    4   -3   -1   -1   -0.1965   -0.5860   -0.1976   -0.5890    0.0032    1
    5   -1   -1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1    3   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -4   -2    0    0.1190   -0.5968    0.1201   -0.5972    0.0011    1
    8   -3   -3    1    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    0    2   -2   -0.1929    0.0488   -0.1940    0.0483    0.0013    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3   -1    1    0.5339   -0.6146    0.5314   -0.6143    0.0025    1
   12   -1    1   -3   -0.1812   -0.0373   -0.1815   -0.0378    0.0006    1
   13   -1   -1    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3   -1    3    0.5300   -0.1501    0.5323   -0.1459    0.0047    1
   15   -2    0   -2   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    0    2    0.7291   -0.0813    0.7260   -0.0804    0.0032    1
   18   -2    0    1    1.0586   -0.5134    1.0655   -0.4953    0.0194    1
   19    1    1    3    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1    1    3    0.4430    0.1647    0.4436    0.1639    0.0010    1
   21   -1   -1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    0    2    2    0.2959    0.3318    0.2970    0.3320    0.0011    1
   23    1    3    1    0.0342    0.2681    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2   -3   -3   -1   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    2    4    0   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4   -3   -1   -1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5   -1   -1    0    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1    3   -1   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7   -4   -2    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -3   -3    1    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    0    2   -2   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1   -1    1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -3   -1    1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12   -1    1   -3   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -1   -1    3    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3   -1    3    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15   -2    0   -2   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    0    0    1    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -2    0    2    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -2    0    1    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19    1    1    3    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -1    1    3    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21   -1   -1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    0    2    2    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23    1    3    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.52                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4086    1.4195    1.0013   89.2222   91.9524   91.6379      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4132    1.4167    0.9990   90.0000   90.0000   90.0000      0.0000         1.4146    1.4181
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0291    0.0184    0.0000    0.0000    0.0000      0.0000         0.0260    0.0248
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0535    0.3847    0.5951)
 a2 = (   -0.2015    0.5697   -0.3627)
 a3 = (   -0.9533   -0.2704    0.1294)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0273    0.3797    0.5965) (    0.0032    0.0042    0.0027)
 a2 = (   -0.2099    0.5642   -0.3687) (    0.0063    0.0138    0.0051)
 a3 = (   -0.9549   -0.2711    0.1288) (    0.0178    0.0074    0.0047)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  121.7801   82.6044  -74.1489    0.4241    0.2532    0.3430
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0021    0.0024    0.0149

# Number of computed bands
            400            170
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.1303
# Chi-squares at the beginning and the end of the refinement
    2.6484    0.0101
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3    3   -1   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -2   -4    0   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    3    1   -1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1    1    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -1   -3   -1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    4    2    0    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    3    3    1    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9    0   -2   -2   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    1   -1   -3   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    1    3    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    3    1    3    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    2    0   -2   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    0    2    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    2    0    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -1   -1    3    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    1   -1    3    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1    1   -1   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22    0   -2    2    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -1   -3    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    3    3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -2   -4    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    3    1   -1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1    1    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1   -3   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    4    2    0    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    3    3    1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    0   -2   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1    1    1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    3    1    1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    1   -1   -3   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    3    1    3    0.5293   -0.1494    0.5323   -0.1459    0.0045    1
   15    2    0   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0    0    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    2    0    2    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18    2    0    1    1.0586   -0.5120    1.0655   -0.4953    0.0181    1
   19   -1   -1    3    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1   -1    3    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1    1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0   -2    2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1   -3    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.53                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4076    1.4199    1.0007   90.1523   90.0757   90.2781      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4086    1.4174    1.0017   90.0000   90.0000   90.0000      0.0000         1.4061    1.4150
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0308    0.0154    0.0000    0.0000    0.0000      0.0000         0.0217    0.0267
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3893   -0.2282    0.5487)
 a2 = (    0.5629    0.0419    0.4212)
 a3 = (   -0.2365    0.9441    0.2265)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3880   -0.2301    0.5482) (    0.0049    0.0031    0.0034)
 a2 = (    0.5665    0.0416    0.4184) (    0.0149    0.0051    0.0061)
 a3 = (   -0.2374    0.9425    0.2277) (    0.0072    0.0144    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   52.4759   76.8157 -165.8644    0.4550    0.2577    0.3311
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            163            165
# Figure of merit at the beginning and the end of the refinement
        22.0792        37.1249
# Chi-squares at the beginning and the end of the refinement
    0.0467    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2   -1    1    3   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1    1   -3   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4    0    2    2   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    2   -2   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7    1    1    3    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    1   -1    3    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9   -1    3   -1   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    1   -1    1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    2    0    2    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12   -2    4    0   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    3   -3    1    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    4   -2    2    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15   -1    3    1   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    1   -1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    3   -1    1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    2    0    1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    3   -3   -1    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    4   -2    0    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21   -1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    3   -1   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    2    0   -2    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -1    1    3   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1    1   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    0    2    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    0    2   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    1    3    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -1    3    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1    3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0    2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12   -2    4    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3   -3    1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    4   -2    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1   -1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    3   -1    1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    0    1    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    3   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    4   -2    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    3   -1   -1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    2    0   -2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.56                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4112    1.4125    1.0034   90.0760   90.1341   90.0797      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4132    1.4132    1.0014   90.0000   90.0000   90.0000      0.0000         1.4112    1.4112
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0191    0.0390    0.0000    0.0000    0.0000      0.0000         0.0549    0.0528
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3590    0.6090    0.0497)
 a2 = (   -0.5962    0.3381    0.1776)
 a3 = (    0.1815   -0.1828    0.9628)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3580    0.6083    0.0498) (    0.0035    0.0021    0.0031)
 a2 = (   -0.5965    0.3365    0.1781) (    0.0085    0.0054    0.0056)
 a3 = (    0.1826   -0.1864    0.9639) (    0.0122    0.0116    0.0361)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   15.6187   15.1464   44.4196    0.9351    0.4136    1.0479
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0019      0.0023    0.0022    0.0377

# Number of computed bands
            159            158
# Figure of merit at the beginning and the end of the refinement
        31.8190        37.1021
# Chi-squares at the beginning and the end of the refinement
    0.0246    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    4    2    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3   -3   -3    1   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4    3    1    1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    1    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -3    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    3    3    1    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8    2    4    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1   -3    1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10    0    2    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1    3    1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    3   -3    1   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -2    4    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -1    5    1    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15    3   -1    1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16   -1    1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1    3    1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18    0    2    1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19   -4    2    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -3    3    1    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21    2    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3    1    1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23   -3   -1    1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7289   -0.0551   -0.7289   -0.0565    0.0014    1
    2    4    2    0   -0.0132   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -3   -3    1   -0.0249    0.0849   -0.0241    0.0824    0.0026    1
    4    3    1    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0026    1
    5    1    1    0    0.0575   -0.2265    0.0566   -0.2258    0.0012    1
    6   -1   -3    1   -0.1040    0.1165   -0.1046    0.1173    0.0010    1
    7    3    3    1    0.1205   -0.5970    0.1201   -0.5972    0.0004    1
    8    2    4    0    0.1450   -0.2222    0.1441   -0.2219    0.0010    1
    9    1   -3    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    2    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1    3    1    0.5351   -0.6131    0.5314   -0.6143    0.0038    1
   12    3   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -2    4    0    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1    5    1    0.5290   -0.1488    0.5323   -0.1459    0.0044    1
   15    3   -1    1   -0.3368   -0.2372   -0.3358   -0.2354    0.0020    1
   16   -1    1    0    0.1245    0.0351    0.1256    0.0356    0.0012    1
   17   -1    3    1    0.7274   -0.0797    0.7260   -0.0804    0.0015    1
   18    0    2    1    1.0589   -0.5100    1.0655   -0.4953    0.0162    1
   19   -4    2    0    0.0416    0.0274    0.0407    0.0272    0.0009    1
   20   -3    3    1    0.4410    0.1644    0.4436    0.1639    0.0026    1
   21    2    0    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -3    1    1    0.2941    0.3303    0.2970    0.3320    0.0033    1
   23   -3   -1    1    0.0339    0.2661    0.0342    0.2676    0.0016    1

###            No.58                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4061    1.4207    1.0011   90.1798   90.2166   90.1686      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4174    1.4086    1.0017   90.0000   90.0000   90.0000      0.0000         1.4150    1.4061
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0306    0.0189    0.0000    0.0000    0.0000      0.0000         0.0267    0.0217
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5730   -0.0459   -0.4187)
 a2 = (    0.3800    0.2244   -0.5483)
 a3 = (    0.2364   -0.9437   -0.2264)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5665   -0.0416   -0.4184) (    0.0031    0.0046    0.0043)
 a2 = (    0.3880    0.2301   -0.5482) (    0.0127    0.0059    0.0093)
 a3 = (    0.2374   -0.9425   -0.2277) (    0.0070    0.0179    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -142.4759  103.1843   14.1356    0.4550    0.2577    0.3311
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            145            166
# Figure of merit at the beginning and the end of the refinement
        20.8895        37.0129
# Chi-squares at the beginning and the end of the refinement
    0.0995    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7260   -0.0582   -0.7289   -0.0565    0.0034    1
    2   -1    1   -3   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -1   -1    3   -0.0263    0.0877   -0.0241    0.0824    0.0057    1
    4   -2    0   -2   -0.1988   -0.5843   -0.1976   -0.5890    0.0048    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    0    2   -0.1065    0.1181   -0.1046    0.1173    0.0020    1
    7   -1   -1   -3    0.1164   -0.5980    0.1201   -0.5972    0.0038    1
    8    1   -1   -3    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -3    1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -2   -2    0.5322   -0.6210    0.5314   -0.6143    0.0068    1
   12   -4    2    0   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    3   -3   -1    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    2   -4   -2    0.5326   -0.1524    0.5323   -0.1459    0.0064    1
   15   -3    1   -1   -0.3362   -0.2357   -0.3358   -0.2354    0.0006    1
   16    1   -1    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    1   -3   -1    0.7354   -0.0847    0.7260   -0.0804    0.0103    1
   18    0   -2   -1    1.0650   -0.5290    1.0655   -0.4953    0.0337    1
   19    3   -3    1    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    2   -4    0    0.4470    0.1659    0.4436    0.1639    0.0040    1
   21   -1    1   -1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1   -3    1    0.2985    0.3361    0.2970    0.3320    0.0044    1
   23    0   -2    2    0.0334    0.2714    0.0342    0.2676    0.0039    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -1    1   -3   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -1    3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -1   -3    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -1   -3    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -3    1    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -2   -2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12   -4    2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3   -3   -1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2   -4   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -3    1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1   -1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1   -3   -1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    0   -2   -1    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    3   -3    1    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    2   -4    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -3    1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    0   -2    2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.61                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4091    1.4195    0.9999   90.0978   89.9416   90.0363      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4086    1.4174    1.0017   90.0000   90.0000   90.0000      0.0000         1.4061    1.4150
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0308    0.0154    0.0000    0.0000    0.0000      0.0000         0.0217    0.0267
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3889   -0.2282    0.5480)
 a2 = (   -0.5653   -0.0425   -0.4183)
 a3 = (    0.2367   -0.9448   -0.2267)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3880   -0.2301    0.5482) (    0.0049    0.0031    0.0034)
 a2 = (   -0.5665   -0.0416   -0.4184) (    0.0149    0.0051    0.0061)
 a3 = (    0.2374   -0.9425   -0.2277) (    0.0072    0.0144    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  127.5241  103.1843   14.1356    0.4550    0.2577    0.3311
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            169            167
# Figure of merit at the beginning and the end of the refinement
        32.1012        36.9019
# Chi-squares at the beginning and the end of the refinement
    0.0376    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7358   -0.0553   -0.7289   -0.0565    0.0070    1
    2   -1   -1   -3   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1   -1    3   -0.0256    0.0872   -0.0241    0.0824    0.0051    1
    4    0   -2   -2   -0.1957   -0.5881   -0.1976   -0.5890    0.0021    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -2    2   -0.1054    0.1186   -0.1046    0.1173    0.0015    1
    7    1   -1   -3    0.1203   -0.5973    0.1201   -0.5972    0.0003    1
    8    1    1   -3    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -3    1   -0.1943    0.0493   -0.1940    0.0483    0.0010    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0   -2    0.5356   -0.6136    0.5314   -0.6143    0.0042    1
   12   -2   -4    0   -0.1821   -0.0375   -0.1815   -0.0378    0.0006    1
   13    3    3   -1    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    4    2   -2    0.5303   -0.1497    0.5323   -0.1459    0.0043    1
   15   -1   -3   -1   -0.3378   -0.2377   -0.3358   -0.2354    0.0031    1
   16    1    1    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    3    1   -1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    2    0   -1    1.0584   -0.5097    1.0655   -0.4953    0.0161    1
   19    3    3    1    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    4    2    0    0.4435    0.1647    0.4436    0.1639    0.0009    1
   21   -1   -1   -1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    3    1    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    2    0    2    0.0350    0.2694    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -1   -1   -3   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -1    3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    0   -2   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    0   -2    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -1   -3    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    1   -3    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0   -2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12   -2   -4    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3    3   -1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    4    2   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1    1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    3    1   -1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    0   -1    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    3    3    1    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    4    2    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    3    1    1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    2    0    2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.64                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4154    1.4164    0.9976   89.9322   90.1430   90.2507      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4174    1.4086    1.0017   90.0000   90.0000   90.0000      0.0000         1.4150    1.4061
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0306    0.0189    0.0000    0.0000    0.0000      0.0000         0.0267    0.0217
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5683    0.0441    0.4174)
 a2 = (    0.3868    0.2269   -0.5453)
 a3 = (   -0.2372    0.9470    0.2272)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5665    0.0416    0.4184) (    0.0031    0.0046    0.0043)
 a2 = (    0.3880    0.2301   -0.5482) (    0.0127    0.0059    0.0093)
 a3 = (   -0.2374    0.9425    0.2277) (    0.0070    0.0179    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  142.4759   76.8157 -165.8644    0.4550    0.2577    0.3311
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            159            167
# Figure of merit at the beginning and the end of the refinement
        31.8190        36.9019
# Chi-squares at the beginning and the end of the refinement
    0.0539    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    1    1    3   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1   -1   -3   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4    2    0    2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2    0   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1   -1    3    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8   -1   -1    3    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    3    1   -1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10   -1   -1    1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    0   -2    2    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    4    2    0   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -3   -3    1    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -2   -4    2    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15    3    1    1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16   -1   -1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1   -3    1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18    0   -2    1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19   -3   -3   -1    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -2   -4    0    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21    1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3   -1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    0   -2   -2    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    1    1    3   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -1   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -1    3    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -1    3    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    3    1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -2    2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    4    2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3   -3    1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -4    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    3    1    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -1   -1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -3    1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    0   -2    1    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -3   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20   -2   -4    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -3   -1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    0   -2   -2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.68                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5709    1.6243    0.7842   90.1531   89.9640   91.7870      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5834    1.5928    0.7930   90.0000   90.0000   90.0000      0.0000         1.9968    2.0087
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0691    0.0117    0.0000    0.0000    0.0000      0.0000         0.0294    0.0819
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6075   -0.1723    0.0824)
 a2 = (    0.0943   -0.1179    0.5971)
 a3 = (   -0.3018    1.2048    0.2891)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6025   -0.1710    0.0811) (    0.0013    0.0037    0.0035)
 a2 = (    0.1147   -0.1168    0.6061) (    0.0086    0.0081    0.0252)
 a3 = (   -0.2996    1.1911    0.2861) (    0.0085    0.0172    0.0104)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    7.5723   76.8858 -165.8816    0.3382    0.4065    0.3309
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0022    0.0023    0.0410

# Number of computed bands
            400            183
# Figure of merit at the beginning and the end of the refinement
         5.3861        36.3334
# Chi-squares at the beginning and the end of the refinement
    0.2335    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    0    3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0    2   -3   -0.0223    0.0786   -0.0241    0.0824    0.0042    1
    4   -1    1    1   -0.1842   -0.5798   -0.1976   -0.5890    0.0162    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1   -1   -0.0971    0.1113   -0.1046    0.1173    0.0096    1
    7    0    2    3    0.1239   -0.5839    0.1201   -0.5972    0.0138    1
    8    2    0    3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -4    2   -1   -0.1848    0.0475   -0.1940    0.0483    0.0093    1
   10    2    0    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    1    1    1    0.5261   -0.5904    0.5314   -0.6143    0.0245    1
   12   -3    1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    6    0    1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    3    1    1    0.5176   -0.1453    0.5323   -0.1459    0.0147    1
   15   -4    2    1   -0.3292   -0.2356   -0.3358   -0.2354    0.0066    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    4    2    1    0.7044   -0.0775    0.7260   -0.0804    0.0218    1
   18    2    2    1    1.0164   -0.4778    1.0655   -0.4953    0.0521    0
   19    6    0   -1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    3    1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -2    0    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    4    2   -1    0.2886    0.3169    0.2970    0.3320    0.0172    1
   23    1    1   -1    0.0362    0.2561    0.0342    0.2676    0.0118    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0555   -0.7289   -0.0565    0.0010    1
    2   -2    0    3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0    2   -3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1    1    1   -0.1964   -0.5869   -0.1976   -0.5890    0.0024    1
    5    0    0    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    0    2    3    0.1201   -0.5975    0.1201   -0.5972    0.0003    1
    8    2    0    3    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -4    2   -1   -0.1926    0.0483   -0.1940    0.0483    0.0015    1
   10    2    0    1    0.2267   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1    1    0.5351   -0.6137    0.5314   -0.6143    0.0037    1
   12   -3    1    0   -0.1811   -0.0377   -0.1815   -0.0378    0.0005    1
   13    6    0    1    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    3    1    1    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15   -4    2    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    2    0    0    0.1251    0.0351    0.1256    0.0356    0.0008    1
   17    4    2    1    0.7277   -0.0805    0.7260   -0.0804    0.0017    1
   18    2    2    1    1.0583   -0.5110    1.0655   -0.4953    0.0173    1
   19    6    0   -1    0.0422    0.0276    0.0407    0.0272    0.0015    1
   20    3    1    0    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21   -2    0    1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22    4    2   -1    0.2955    0.3305    0.2970    0.3320    0.0022    1
   23    1    1   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.71                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5874    1.5880    0.7934   90.0302   89.9871   90.1689      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5819    1.5919    0.7942   90.0000   90.0000   90.0000      0.0000         1.9917    2.0043
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0637    0.0111    0.0000    0.0000    0.0000      0.0000         0.0279    0.0750
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6010   -0.1705    0.0815)
 a2 = (   -0.1170    0.1148   -0.6080)
 a3 = (    0.2997   -1.1910   -0.2832)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6030   -0.1715    0.0809) (    0.0012    0.0036    0.0033)
 a2 = (   -0.1147    0.1170   -0.6064) (    0.0078    0.0075    0.0233)
 a3 = (    0.2997   -1.1889   -0.2862) (    0.0085    0.0162    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.4447  103.1367   14.1501    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            179            182
# Figure of merit at the beginning and the end of the refinement
        23.9063        35.3285
# Chi-squares at the beginning and the end of the refinement
    0.0486    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    0   -3   -0.0135   -0.1744   -0.0133   -0.1793    0.0049    1
    3    0   -2    3   -0.0264    0.0885   -0.0241    0.0824    0.0065    1
    4   -1   -1   -1   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5    0    0   -1    0.0563   -0.2237    0.0566   -0.2258    0.0021    1
    6   -1   -1    1   -0.1065    0.1188   -0.1046    0.1173    0.0024    1
    7    0   -2   -3    0.1182   -0.5943    0.1201   -0.5972    0.0034    1
    8    2    0   -3    0.1432   -0.2203    0.1441   -0.2219    0.0019    1
    9   -4   -2    1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10    2    0   -1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11    1   -1   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -3   -1    0   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13    6    0   -1    0.1974   -0.0085    0.1981   -0.0091    0.0009    1
   14    3   -1   -1    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15   -4   -2   -1   -0.3358   -0.2360   -0.3358   -0.2354    0.0006    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    4   -2   -1    0.7299   -0.0826    0.7260   -0.0804    0.0045    1
   18    2   -2   -1    1.0580   -0.5179    1.0655   -0.4953    0.0239    1
   19    6    0    1    0.0430    0.0288    0.0407    0.0272    0.0028    1
   20    3   -1    0    0.4445    0.1651    0.4436    0.1639    0.0015    1
   21   -2    0   -1   -0.0343   -0.0582   -0.0357   -0.0605    0.0027    1
   22    4   -2    1    0.2974    0.3343    0.2970    0.3320    0.0023    1
   23    1   -1    1    0.0338    0.2710    0.0342    0.2676    0.0034    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -2    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -2    3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -1   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -1    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2   -3    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    2    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -4   -2    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1   -1   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -3   -1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    6    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3   -1   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -4   -2   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    4   -2   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2   -2   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    6    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3   -1    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    4   -2    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1   -1    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.72                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5791    1.6058    0.7889   90.2030   90.3215   89.2141      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5819    1.5919    0.7942   90.0000   90.0000   90.0000      0.0000         1.9917    2.0043
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0637    0.0111    0.0000    0.0000    0.0000      0.0000         0.0279    0.0750
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6042    0.1714   -0.0820)
 a2 = (    0.1058   -0.1163    0.6026)
 a3 = (    0.3088   -1.1970   -0.2808)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6030    0.1715   -0.0809) (    0.0012    0.0036    0.0033)
 a2 = (    0.1147   -0.1170    0.6064) (    0.0078    0.0075    0.0233)
 a3 = (    0.2997   -1.1889   -0.2862) (    0.0085    0.0162    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5553  103.1367   14.1501    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            183            182
# Figure of merit at the beginning and the end of the refinement
        10.5048        35.3285
# Chi-squares at the beginning and the end of the refinement
    0.0842    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2    0   -3   -0.0123   -0.1716   -0.0133   -0.1793    0.0078    1
    3    0    2    3   -0.0260    0.0872   -0.0241    0.0824    0.0051    1
    4    1    1   -1   -0.1860   -0.5805   -0.1976   -0.5890    0.0144    1
    5    0    0   -1    0.0567   -0.2199    0.0566   -0.2258    0.0059    1
    6    1    1    1   -0.1043    0.1170   -0.1046    0.1173    0.0004    1
    7    0    2   -3    0.1241   -0.5833    0.1201   -0.5972    0.0145    1
    8   -2    0   -3    0.1422   -0.2163    0.1441   -0.2219    0.0059    1
    9    4    2    1   -0.1909    0.0484   -0.1940    0.0483    0.0032    1
   10   -2    0   -1    0.2226   -0.1253    0.2267   -0.1283    0.0051    1
   11   -1    1   -1    0.5271   -0.5938    0.5314   -0.6143    0.0209    1
   12    3    1    0   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13   -6    0   -1    0.1961   -0.0084    0.1981   -0.0091    0.0022    1
   14   -3    1   -1    0.5193   -0.1460    0.5323   -0.1459    0.0130    1
   15    4    2   -1   -0.3315   -0.2358   -0.3358   -0.2354    0.0043    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -4    2   -1    0.7128   -0.0791    0.7260   -0.0804    0.0133    1
   18   -2    2   -1    1.0303   -0.4906    1.0655   -0.4953    0.0355    1
   19   -6    0    1    0.0439    0.0295    0.0407    0.0272    0.0039    1
   20   -3    1    0    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21    2    0   -1   -0.0330   -0.0566   -0.0357   -0.0605    0.0048    1
   22   -4    2    1    0.2943    0.3283    0.2970    0.3320    0.0046    1
   23   -1    1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    2    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    2    3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    1    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    2   -3    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -2    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    4    2    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1    1   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    3    1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -6    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3    1   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    4    2   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -4    2   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2    2   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -6    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3    1    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -4    2    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1    1    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.80                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5865    1.5890    0.7934   90.1042   90.1934   90.3540      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5919    1.5819    0.7942   90.0000   90.0000   90.0000      0.0000         2.0043    1.9917
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0633    0.0297    0.0000    0.0000    0.0000      0.0000         0.0750    0.0279
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1157   -0.1149    0.6089)
 a2 = (    0.6008    0.1704   -0.0779)
 a3 = (   -0.2983    1.1908    0.2857)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1147   -0.1170    0.6064) (    0.0039    0.0037    0.0012)
 a2 = (    0.6030    0.1715   -0.0809) (    0.0247    0.0069    0.0030)
 a3 = (   -0.2997    1.1889    0.2862) (    0.0135    0.0458    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.5553   76.8633 -165.8499    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            179            183
# Figure of merit at the beginning and the end of the refinement
        18.0802        35.2318
# Chi-squares at the beginning and the end of the refinement
    0.0591    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7367   -0.0571   -0.7289   -0.0565    0.0078    1
    2    0    2    3   -0.0140   -0.1781   -0.0133   -0.1793    0.0014    1
    3    2    0   -3   -0.0258    0.0872   -0.0241    0.0824    0.0051    1
    4    1    1    1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1   -1   -0.1073    0.1201   -0.1046    0.1173    0.0039    1
    7    2    0    3    0.1185   -0.5972    0.1201   -0.5972    0.0016    1
    8    0   -2    3    0.1431   -0.2206    0.1441   -0.2219    0.0016    1
    9    2    4   -1   -0.1989    0.0501   -0.1940    0.0483    0.0052    1
   10    0   -2    1    0.2229   -0.1263    0.2267   -0.1283    0.0043    1
   11    1   -1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1    3    0   -0.1876   -0.0388   -0.1815   -0.0378    0.0061    1
   13    0   -6    1    0.1927   -0.0083    0.1981   -0.0091    0.0055    1
   14    1   -3    1    0.5259   -0.1496    0.5323   -0.1459    0.0074    1
   15    2    4    1   -0.3414   -0.2400   -0.3358   -0.2354    0.0072    1
   16    0   -2    0    0.1201    0.0341    0.1256    0.0356    0.0058    1
   17    2   -4    1    0.7256   -0.0821    0.7260   -0.0804    0.0018    1
   18    2   -2    1    1.0557   -0.5162    1.0655   -0.4953    0.0231    1
   19    0   -6   -1    0.0380    0.0254    0.0407    0.0272    0.0033    1
   20    1   -3    0    0.4391    0.1630    0.4436    0.1639    0.0045    1
   21    0    2    1   -0.0371   -0.0629   -0.0357   -0.0605    0.0028    1
   22    2   -4   -1    0.2939    0.3297    0.2970    0.3320    0.0038    1
   23    1   -1   -1    0.0339    0.2674    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    0    2    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    2    0   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    1   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    2    0    3    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0   -2    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    2    4   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    0   -2    1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1   -1    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    1    3    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    0   -6    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    1   -3    1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    2    4    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0   -2    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    2   -4    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2   -2    1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    0   -6   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1   -3    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    0    2    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2   -4   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1   -1   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.84                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5539    1.6058    0.8023   89.9698   91.9414   91.7869      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5819    1.5919    0.7942   90.0000   90.0000   90.0000      0.0000         1.9917    2.0043
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0637    0.0111    0.0000    0.0000    0.0000      0.0000         0.0279    0.0750
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6145    0.1743   -0.0834)
 a2 = (   -0.0954    0.1193   -0.6040)
 a3 = (   -0.2558    1.1893    0.2746)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6030    0.1715   -0.0809) (    0.0012    0.0036    0.0033)
 a2 = (   -0.1147    0.1170   -0.6064) (    0.0078    0.0075    0.0233)
 a3 = (   -0.2997    1.1889    0.2862) (    0.0085    0.0162    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4447   76.8633 -165.8499    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            379            183
# Figure of merit at the beginning and the end of the refinement
         5.7111        35.2318
# Chi-squares at the beginning and the end of the refinement
    0.5380    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2    0    4   -0.0073   -0.1822   -0.0133   -0.1793    0.0066    1
    3    0   -2   -3   -0.0239    0.0949   -0.0241    0.0824    0.0125    1
    4    1   -1    1   -0.2059   -0.5639   -0.1976   -0.5890    0.0264    1
    5    0    0    1    0.0475   -0.2207    0.0566   -0.2258    0.0104    1
    6    1   -1   -1   -0.1071    0.1258   -0.1046    0.1173    0.0088    1
    7    0   -2    3    0.1026   -0.5925    0.1201   -0.5972    0.0181    1
    8   -2    0    3    0.1378   -0.2222    0.1441   -0.2219    0.0063    1
    9    4   -2   -1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10   -2    0    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11   -1   -1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    3   -1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -6    0    1    0.1963   -0.0071    0.1981   -0.0091    0.0027    1
   14   -3   -1    1    0.5242   -0.1431    0.5323   -0.1459    0.0086    1
   15    4   -2    1   -0.3257   -0.2243   -0.3358   -0.2354    0.0150    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -4   -2    1    0.7126   -0.0716    0.7260   -0.0804    0.0160    1
   18   -2   -2    1    1.0478   -0.4875    1.0655   -0.4953    0.0193    1
   19   -6    0   -1    0.0462    0.0301    0.0407    0.0272    0.0062    1
   20   -3   -1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    2    0    1   -0.0317   -0.0500   -0.0357   -0.0605    0.0112    1
   22   -4   -2   -1    0.2977    0.3145    0.2970    0.3320    0.0176    1
   23   -1   -1   -1    0.0479    0.2699    0.0342    0.2676    0.0139    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    2    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -2   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -1    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1   -1   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2    3    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -2    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    4   -2   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1   -1    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    3   -1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -6    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3   -1    1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    4   -2    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -4   -2    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2   -2    1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -6    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3   -1    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -4   -2   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1   -1   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.87                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5854    1.5875    0.7947   90.0277   90.7794   90.2568      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5919    1.5885    0.7909   90.0000   90.0000   90.0000      0.0000         2.0126    2.0083
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0595    0.0317    0.0000    0.0000    0.0000      0.0000         0.0806    0.0281
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1234    0.1121   -0.6084)
 a2 = (    0.1491   -0.5951   -0.1428)
 a3 = (   -1.2004   -0.3405    0.1629)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1147    0.1170   -0.6064) (    0.0039    0.0037    0.0012)
 a2 = (    0.1499   -0.5945   -0.1431) (    0.0067    0.0229    0.0038)
 a3 = (   -1.2061   -0.3430    0.1619) (    0.0494    0.0138    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2477   82.6435  -74.1233    0.3874    0.3013    0.3456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            291            301
# Figure of merit at the beginning and the end of the refinement
        14.0294        27.4712
# Chi-squares at the beginning and the end of the refinement
    0.4370    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0   -1   -0.7236   -0.0582   -0.7289   -0.0565    0.0056    1
    2    0   -6   -1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -1    3    0   -0.0262    0.0870   -0.0241    0.0824    0.0050    1
    4   -2   -4   -1   -0.1987   -0.5831   -0.1976   -0.5890    0.0059    1
    5    0   -2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    4   -1   -0.1060    0.1175   -0.1046    0.1173    0.0014    1
    7   -1   -3    0    0.1156   -0.5972    0.1201   -0.5972    0.0045    1
    8    0   -6    1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1    1   -1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10    0   -2    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -2   -4    1    0.5305   -0.6215    0.5314   -0.6143    0.0073    1
   12   -2    0   -3   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13    0   -2    3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -2   -4    3    0.5323   -0.1529    0.5323   -0.1459    0.0070    1
   15   -1   -1   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    1    0.7356   -0.0855    0.7260   -0.0804    0.0109    1
   18   -2   -2    1    1.0644   -0.5319    1.0655   -0.4953    0.0367    1
   19    0    2    3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -2    0    3    0.4468    0.1659    0.4436    0.1639    0.0038    1
   21    0   -2   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    1    1    0.2977    0.3361    0.2970    0.3320    0.0042    1
   23   -2    4    1    0.0328    0.2705    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0   -1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    0   -6   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1    3    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2   -4   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -2    4   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -1   -3    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0   -6    1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1    1   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    0   -2    1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -2   -4    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -2    0   -3   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    0   -2    3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -2   -4    3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -1   -1   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    0    1    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1   -1    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2   -2    1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    0    2    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -2    0    3    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    0   -2   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    1    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -2    4    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.88                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5892    1.5913    0.7909   90.0314   90.0478   89.7432      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5919    1.5885    0.7909   90.0000   90.0000   90.0000      0.0000         2.0126    2.0083
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0595    0.0317    0.0000    0.0000    0.0000      0.0000         0.0806    0.0281
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1144    0.1143   -0.6081)
 a2 = (   -0.1487    0.5937    0.1425)
 a3 = (    1.2062    0.3421   -0.1637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1147    0.1170   -0.6064) (    0.0039    0.0037    0.0012)
 a2 = (   -0.1499    0.5945    0.1431) (    0.0067    0.0229    0.0038)
 a3 = (    1.2061    0.3430   -0.1619) (    0.0494    0.0138    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -76.7523   97.3565  105.8767    0.3874    0.3013    0.3456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            299            303
# Figure of merit at the beginning and the end of the refinement
        24.5622        27.3804
# Chi-squares at the beginning and the end of the refinement
    0.0695    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7289   -0.0577   -0.7289   -0.0565    0.0012    1
    2    0    6    1   -0.0141   -0.1759   -0.0133   -0.1793    0.0036    1
    3   -1   -3    0   -0.0259    0.0877   -0.0241    0.0824    0.0056    1
    4   -2    4    1   -0.1976   -0.5853   -0.1976   -0.5890    0.0037    1
    5    0    2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -4    1   -0.1061    0.1182   -0.1046    0.1173    0.0018    1
    7   -1    3    0    0.1189   -0.5976    0.1201   -0.5972    0.0012    1
    8    0    6   -1    0.1447   -0.2220    0.1441   -0.2219    0.0006    1
    9   -1   -1    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10    0    2   -1    0.2267   -0.1274    0.2267   -0.1283    0.0009    1
   11   -2    4   -1    0.5353   -0.6142    0.5314   -0.6143    0.0038    1
   12   -2    0    3   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13    0    2   -3    0.1978   -0.0081    0.1981   -0.0091    0.0010    1
   14   -2    4   -3    0.5296   -0.1489    0.5323   -0.1459    0.0039    1
   15   -1    1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1   -1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2    2   -1    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    0   -2   -3    0.0430    0.0286    0.0407    0.0272    0.0026    1
   20   -2    0   -3    0.4429    0.1640    0.4436    0.1639    0.0006    1
   21    0    2    1   -0.0348   -0.0586   -0.0357   -0.0605    0.0021    1
   22   -1   -1   -1    0.2979    0.3317    0.2970    0.3320    0.0010    1
   23   -2   -4   -1    0.0351    0.2705    0.0342    0.2676    0.0030    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    0    6    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1   -3    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    4    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -2   -4    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -1    3    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0    6   -1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1   -1    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    0    2   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -2    4   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -2    0    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    0    2   -3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -2    4   -3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -1    1    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    0   -1    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1    1   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2    2   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    0   -2   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -2    0   -3    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    0    2    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1   -1   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -2   -4   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.89                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5855    1.5895    0.7937   90.1860   90.0294   90.5650      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5885    1.5919    0.7909   90.0000   90.0000   90.0000      0.0000         2.0083    2.0126
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0596    0.0111    0.0000    0.0000    0.0000      0.0000         0.0281    0.0806
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1493    0.5959    0.1430)
 a2 = (    0.1160   -0.1104    0.6085)
 a3 = (    1.2020    0.3409   -0.1631)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1499    0.5945    0.1431) (    0.0034    0.0012    0.0041)
 a2 = (    0.1147   -0.1170    0.6064) (    0.0075    0.0072    0.0218)
 a3 = (    1.2061    0.3430   -0.1619) (    0.0175    0.0079    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2477   97.3565  105.8767    0.3874    0.3013    0.3456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            299            303
# Figure of merit at the beginning and the end of the refinement
        17.6571        27.3804
# Chi-squares at the beginning and the end of the refinement
    0.0651    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    1   -0.7297   -0.0612   -0.7289   -0.0565    0.0047    1
    2    6    0    1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -3    1    0   -0.0258    0.0869   -0.0241    0.0824    0.0048    1
    4    4    2    1   -0.1952   -0.5840   -0.1976   -0.5890    0.0055    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -4    2    1   -0.1058    0.1179   -0.1046    0.1173    0.0014    1
    7    3    1    0    0.1177   -0.5952    0.1201   -0.5972    0.0031    1
    8    6    0   -1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1    1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    2    0   -1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    4    2   -1    0.5296   -0.6158    0.5314   -0.6143    0.0024    1
   12    0    2    3   -0.1816   -0.0380   -0.1815   -0.0378    0.0002    1
   13    2    0   -3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    4    2   -3    0.5300   -0.1522    0.5323   -0.1459    0.0066    1
   15    1    1    1   -0.3356   -0.2373   -0.3358   -0.2354    0.0019    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1   -1    0.7304   -0.0855    0.7260   -0.0804    0.0068    1
   18    2    2   -1    1.0534   -0.5233    1.0655   -0.4953    0.0305    1
   19   -2    0   -3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    0    2   -3    0.4452    0.1641    0.4436    0.1639    0.0017    1
   21    2    0    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    1   -1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -4    2   -1    0.0342    0.2700    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    6    0    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -3    1    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    4    2    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -4    2    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    3    1    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    6    0   -1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1    1    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    4    2   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    0    2    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    2    0   -3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    4    2   -3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    1    1    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    0   -1    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1    1   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2    2   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -2    0   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    2   -3    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    1   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -4    2   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.90                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2506    1.7786    0.9000   90.2054   92.1219   91.3335      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7859    0.8873   90.0000   90.0000   90.0000      0.0000         1.4223    2.0126
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0338    0.0137    0.0000    0.0000    0.0000      0.0000         0.0219    0.0438
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1934   -0.7571   -0.1732)
 a2 = (    0.4569    0.0281    0.3267)
 a3 = (   -0.5856   -0.3902    0.8609)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1884   -0.7481   -0.1807) (    0.0044    0.0013    0.0035)
 a2 = (    0.4497    0.0330    0.3321) (    0.0103    0.0039    0.0048)
 a3 = (   -0.6159   -0.3653    0.8702) (    0.0145    0.0073    0.0124)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -21.0368   39.4489  -59.3237    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            343            332
# Figure of merit at the beginning and the end of the refinement
         6.2809        26.1721
# Chi-squares at the beginning and the end of the refinement
    0.3312    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7124   -0.0438   -0.7289   -0.0565    0.0208    1
    2   -6    2   -1   -0.0113   -0.1660   -0.0133   -0.1793    0.0135    1
    3    6    2    1   -0.0272    0.0891   -0.0241    0.0824    0.0074    1
    4   -1    1    0   -0.1920   -0.5723   -0.1976   -0.5890    0.0176    1
    5   -2    0    0    0.0549   -0.2147    0.0566   -0.2258    0.0112    1
    6    1    1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -6    2    1    0.1155   -0.5839    0.1201   -0.5972    0.0141    1
    8   -6   -2    1    0.1390   -0.2140    0.1441   -0.2219    0.0094    1
    9    2    6   -1   -0.1902    0.0489   -0.1940    0.0483    0.0039    1
   10   -2   -2    1    0.2223   -0.1259    0.2267   -0.1283    0.0050    1
   11   -2    0    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0    4   -1   -0.1772   -0.0369   -0.1815   -0.0378    0.0045    1
   13   -2   -6    3    0.1980   -0.0071    0.1981   -0.0091    0.0020    1
   14   -1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -2    6   -1   -0.3285   -0.2316   -0.3358   -0.2354    0.0082    1
   16    0   -2    1    0.1271    0.0378    0.1256    0.0356    0.0027    1
   17   -2   -2    3    0.7378   -0.0694    0.7260   -0.0804    0.0161    1
   18   -2    0    2    1.0864   -0.5117    1.0655   -0.4953    0.0266    1
   19    2   -6    3    0.0453    0.0314    0.0407    0.0272    0.0062    1
   20    0   -2    2    0.4413    0.1771    0.4436    0.1639    0.0134    1
   21   -2    2   -1   -0.0304   -0.0536   -0.0357   -0.0605    0.0087    1
   22    2   -2    3    0.2840    0.3409    0.2970    0.3320    0.0157    1
   23    2    0    1    0.0279    0.2673    0.0342    0.2676    0.0063    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -6    2   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    6    2    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -6    2    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -6   -2    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    2    6   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -2   -2    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    0    1    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    4   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2   -6    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -1    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2    6   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2    1    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -2   -2    3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -2    0    2    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    2   -6    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -2    2   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    2   -2    3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    2    0    1    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.91                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2592    1.8029    0.8814   91.4522   89.3912   90.8670      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7859    0.8873   90.0000   90.0000   90.0000      0.0000         1.4223    2.0126
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0338    0.0137    0.0000    0.0000    0.0000      0.0000         0.0219    0.0438
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1838    0.7486    0.1916)
 a2 = (    0.4466    0.0346    0.3275)
 a3 = (    0.6400    0.3657   -0.8630)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1884    0.7481    0.1807) (    0.0044    0.0013    0.0035)
 a2 = (    0.4497    0.0330    0.3321) (    0.0103    0.0039    0.0048)
 a3 = (    0.6159    0.3653   -0.8702) (    0.0145    0.0073    0.0124)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   21.0368  140.5511  120.6763    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            341            332
# Figure of merit at the beginning and the end of the refinement
         6.3070        26.1721
# Chi-squares at the beginning and the end of the refinement
    0.6032    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    6    2    1   -0.0166   -0.1896   -0.0133   -0.1793    0.0108    1
    3   -6    2   -1   -0.0202    0.0713   -0.0241    0.0824    0.0118    1
    4    1    1    0   -0.1999   -0.5957   -0.1976   -0.5890    0.0070    1
    5    2    0    0    0.0593   -0.2413    0.0566   -0.2258    0.0158    1
    6   -1    1    0   -0.0945    0.1070   -0.1046    0.1173    0.0145    1
    7    6    2   -1    0.1237   -0.6108    0.1201   -0.5972    0.0141    1
    8    6   -2   -1    0.1529   -0.2353    0.1441   -0.2219    0.0159    1
    9   -2    6    1   -0.1834    0.0460   -0.1940    0.0483    0.0109    1
   10    2   -2   -1    0.2370   -0.1324    0.2267   -0.1283    0.0111    1
   11    2    0   -1    0.5470   -0.6142    0.5314   -0.6143    0.0155    1
   12    0    4    1   -0.1766   -0.0367   -0.1815   -0.0378    0.0051    1
   13    2   -6   -3    0.2025   -0.0078    0.1981   -0.0091    0.0045    1
   14    1   -1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    2    6    1   -0.3372   -0.2365   -0.3358   -0.2354    0.0018    1
   16    0   -2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -2   -3    0.7207   -0.0750    0.7260   -0.0804    0.0076    1
   18    2    0   -2    1.0526   -0.4893    1.0655   -0.4953    0.0142    1
   19   -2   -6   -3    0.0396    0.0262    0.0407    0.0272    0.0015    1
   20    0   -2   -2    0.4340    0.1599    0.4436    0.1639    0.0104    1
   21    2    2    1   -0.0401   -0.0664   -0.0357   -0.0605    0.0074    1
   22   -2   -2   -3    0.2901    0.3159    0.2970    0.3320    0.0175    1
   23   -2    0   -1    0.0369    0.2522    0.0342    0.2676    0.0156    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    6    2    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -6    2   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    6    2   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    6   -2   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -2    6    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    2   -2   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0   -1    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    4    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    2   -6   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -1   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    2    6    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2   -1    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    2   -2   -3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    0   -2    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -2   -6   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    2    2    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -2   -2   -3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -2    0   -1    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.92                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2580    1.2635    1.2583   90.1707   89.9684   90.1443      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2555    1.2635    1.2608   90.0000   90.0000   90.0000      0.0000         0.9959    1.0021
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0506    0.0176    0.0000    0.0000    0.0000      0.0000         0.0139    0.0375
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7583   -0.2151    0.1029)
 a2 = (    0.1429   -0.1452    0.7648)
 a3 = (   -0.1881    0.7509    0.1802)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7598   -0.2161    0.1020) (    0.0016    0.0045    0.0042)
 a2 = (    0.1445   -0.1475    0.7641) (    0.0099    0.0095    0.0294)
 a3 = (   -0.1888    0.7490    0.1803) (    0.0053    0.0102    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    7.5553   76.8633 -165.8499    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            345            346
# Figure of merit at the beginning and the end of the refinement
        24.6477        25.6226
# Chi-squares at the beginning and the end of the refinement
    0.0475    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2   -2    0    6   -0.0139   -0.1762   -0.0133   -0.1793    0.0031    1
    3    0    2   -6   -0.0254    0.0861   -0.0241    0.0824    0.0039    1
    4   -1    1    2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    0    2    6    0.1191   -0.5956    0.1201   -0.5972    0.0019    1
    8    2    0    6    0.1442   -0.2222    0.1441   -0.2219    0.0003    1
    9   -4    2   -2   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10    2    0    2    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11    1    1    2    0.5327   -0.6132    0.5314   -0.6143    0.0017    1
   12   -3    1    0   -0.1809   -0.0374   -0.1815   -0.0378    0.0007    1
   13    6    0    2    0.1981   -0.0085    0.1981   -0.0091    0.0006    1
   14    3    1    2    0.5291   -0.1500    0.5323   -0.1459    0.0052    1
   15   -4    2    2   -0.3359   -0.2365   -0.3358   -0.2354    0.0011    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    4    2    2    0.7277   -0.0817    0.7260   -0.0804    0.0022    1
   18    1    1    1    1.0549   -0.5128    1.0655   -0.4953    0.0204    1
   19    6    0   -2    0.0425    0.0285    0.0407    0.0272    0.0022    1
   20    3    1    0    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21   -2    0    2   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    4    2   -2    0.2961    0.3313    0.2970    0.3320    0.0011    1
   23    1    1   -2    0.0344    0.2681    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -2    0    6   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    2   -6   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    1    2   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1    1   -2   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    2    6    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    2    0    6    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -4    2   -2   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    2    0    2    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1    1    2    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -3    1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    6    0    2    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3    1    2    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -4    2    2   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    4    2    2    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    1    1    1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    6    0   -2    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3    1    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -2    0    2   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    4    2   -2    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1    1   -2    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.93                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1003    3.3114    0.5490   90.4487   89.9073   90.0918      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0968    3.3112    0.5507   90.0000   90.0000   90.0000      0.0000         1.9917    6.0128
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1326    0.0077    0.0000    0.0000    0.0000      0.0000         0.0279    0.2251
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8671   -0.2459    0.1173)
 a2 = (   -0.0553    0.0539   -0.2920)
 a3 = (    0.4348   -1.7198   -0.4148)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8697   -0.2474    0.1167) (    0.0018    0.0052    0.0048)
 a2 = (   -0.0551    0.0563   -0.2915) (    0.0038    0.0036    0.0112)
 a3 = (    0.4323   -1.7147   -0.4127) (    0.0122    0.0233    0.0141)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.4447  103.1367   14.1501    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            347            348
# Figure of merit at the beginning and the end of the refinement
        21.5477        25.5488
# Chi-squares at the beginning and the end of the refinement
    0.1229    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    0   -0.7296   -0.0594   -0.7289   -0.0565    0.0030    1
    2   -2    0   -3   -0.0135   -0.1777   -0.0133   -0.1793    0.0017    1
    3    0   -2    1   -0.0254    0.0850   -0.0241    0.0824    0.0029    1
    4   -1   -3   -1   -0.1943   -0.5860   -0.1976   -0.5890    0.0044    1
    5    0    0   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1   -3    1   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7    0   -2   -1    0.1198   -0.5955    0.1201   -0.5972    0.0017    1
    8    2    0   -3    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -4   -6    1   -0.1929    0.0483   -0.1940    0.0483    0.0012    1
   10    2    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3   -1    0.5310   -0.6133    0.5314   -0.6143    0.0011    1
   12   -1   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    6    0   -1    0.1980   -0.0086    0.1981   -0.0091    0.0006    1
   14    3   -3   -1    0.5290   -0.1512    0.5323   -0.1459    0.0062    1
   15   -4   -6   -1   -0.3363   -0.2378   -0.3358   -0.2354    0.0024    1
   16    2    0    0    0.1252    0.0355    0.1256    0.0356    0.0004    1
   17    4   -6   -1    0.7283   -0.0841    0.7260   -0.0804    0.0044    1
   18    2   -6   -1    1.0520   -0.5178    1.0655   -0.4953    0.0263    1
   19    6    0    1    0.0418    0.0280    0.0407    0.0272    0.0013    1
   20    1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -2    0   -1   -0.0356   -0.0606   -0.0357   -0.0605    0.0001    1
   22    4   -6    1    0.2964    0.3321    0.2970    0.3320    0.0006    1
   23    1   -3    1    0.0335    0.2677    0.0342    0.2676    0.0006    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -2    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -2    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -3   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -3    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    2    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -4   -6    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1   -3   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -1   -1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    6    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3   -3   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -4   -6   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    4   -6   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    2   -6   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    6    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1   -1    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    4   -6    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1   -3    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.95                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1037    3.3044    0.5489   92.1779   90.8807   90.5645      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0968    3.3112    0.5507   90.0000   90.0000   90.0000      0.0000         1.9917    6.0128
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1326    0.0077    0.0000    0.0000    0.0000      0.0000         0.0279    0.2251
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8607    0.2586   -0.1162)
 a2 = (   -0.0561    0.0677   -0.2898)
 a3 = (   -0.4315    1.7228    0.4134)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8697    0.2474   -0.1167) (    0.0018    0.0052    0.0048)
 a2 = (   -0.0551    0.0563   -0.2915) (    0.0038    0.0036    0.0112)
 a3 = (   -0.4323    1.7147    0.4127) (    0.0122    0.0233    0.0141)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4447   76.8633 -165.8499    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            361            348
# Figure of merit at the beginning and the end of the refinement
         7.4618        25.5488
# Chi-squares at the beginning and the end of the refinement
    2.5939    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    0   -0.7299   -0.0393   -0.7289   -0.0565    0.0172    1
    2    2    0    3   -0.0132   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0   -2   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -3    1   -0.1981   -0.5895   -0.1976   -0.5890    0.0007    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -3   -1   -0.1010    0.1153   -0.1046    0.1173    0.0041    1
    7    0   -2    1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8   -2    0    3    0.1445   -0.2229    0.1441   -0.2219    0.0010    1
    9    4   -6   -1   -0.1915    0.0498   -0.1940    0.0483    0.0029    1
   10   -2    0    1    0.2283   -0.1279    0.2267   -0.1283    0.0017    1
   11   -1   -3    1    0.5510   -0.6183    0.5314   -0.6143    0.0200    1
   12    1   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -6    0    1    0.1982   -0.0061    0.1981   -0.0091    0.0030    1
   14   -3   -3    1    0.5366   -0.1403    0.5323   -0.1459    0.0071    1
   15    4   -6    1   -0.3376   -0.2371   -0.3358   -0.2354    0.0025    1
   16   -2    0    0    0.1238    0.0372    0.1256    0.0356    0.0024    1
   17   -4   -6    1    0.7351   -0.0586    0.7260   -0.0804    0.0235    1
   18   -2   -6    1    1.0999   -0.4841    1.0655   -0.4953    0.0362    1
   19   -6    0   -1    0.0405    0.0280    0.0407    0.0272    0.0008    1
   20   -1   -1    0    0.4333    0.1757    0.4436    0.1639    0.0157    1
   21    2    0    1   -0.0350   -0.0607   -0.0357   -0.0605    0.0007    1
   22   -4   -6   -1    0.2790    0.3300    0.2970    0.3320    0.0181    1
   23   -1   -3   -1    0.0308    0.2583    0.0342    0.2676    0.0100    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    2    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -2   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -3    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1   -3   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2    1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -2    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    4   -6   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1   -3    1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    1   -1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -6    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3   -3    1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    4   -6    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -4   -6    1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2   -6    1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -6    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1   -1    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -4   -6   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1   -3   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.97                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0955    3.3168    0.5509   92.1951   90.8431   89.4206      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0968    3.3112    0.5507   90.0000   90.0000   90.0000      0.0000         1.9917    6.0128
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1326    0.0077    0.0000    0.0000    0.0000      0.0000         0.0279    0.2251
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8736    0.2346   -0.1235)
 a2 = (    0.0559   -0.0675    0.2887)
 a3 = (    0.4299   -1.7163   -0.4118)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8697    0.2474   -0.1167) (    0.0018    0.0052    0.0048)
 a2 = (    0.0551   -0.0563    0.2915) (    0.0038    0.0036    0.0112)
 a3 = (    0.4323   -1.7147   -0.4127) (    0.0122    0.0233    0.0141)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5553  103.1367   14.1501    0.3148    0.3800    0.3264
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            400            349
# Figure of merit at the beginning and the end of the refinement
         7.3753        25.5122
# Chi-squares at the beginning and the end of the refinement
    2.3415    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    0   -0.7125   -0.0220   -0.7289   -0.0565    0.0382    0
    2    2    0   -3   -0.0142   -0.1748   -0.0133   -0.1793    0.0046    1
    3    0    2    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    3   -1   -0.2057   -0.5883   -0.1976   -0.5890    0.0082    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    3    1   -0.0973    0.1114   -0.1046    0.1173    0.0093    1
    7    0    2   -1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8   -2    0   -3    0.1447   -0.2229    0.1441   -0.2219    0.0011    1
    9    4    6    1   -0.1802    0.0500   -0.1940    0.0483    0.0140    1
   10   -2    0   -1    0.2278   -0.1305    0.2267   -0.1283    0.0025    1
   11   -1    3   -1    0.5439   -0.6126    0.5314   -0.6143    0.0126    1
   12    1    1    0   -0.1722   -0.0310   -0.1815   -0.0378    0.0116    1
   13   -6    0   -1    0.2026   -0.0110    0.1981   -0.0091    0.0049    1
   14   -3    3   -1    0.5299   -0.1489    0.5323   -0.1459    0.0038    1
   15    4    6   -1   -0.3375   -0.2234   -0.3358   -0.2354    0.0122    1
   16   -2    0    0    0.1318    0.0354    0.1256    0.0356    0.0062    1
   17   -4    6   -1    0.7272   -0.0756    0.7260   -0.0804    0.0049    1
   18   -2    6   -1    1.0737   -0.4911    1.0655   -0.4953    0.0092    1
   19   -6    0    1    0.0481    0.0312    0.0407    0.0272    0.0084    1
   20   -1    1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    2    0   -1   -0.0334   -0.0553   -0.0357   -0.0605    0.0057    1
   22   -4    6    1    0.2946    0.3303    0.2970    0.3320    0.0029    1
   23   -1    3    1    0.0338    0.2640    0.0342    0.2676    0.0036    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    0   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    2    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    2    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    3   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    3    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    2   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -2    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    4    6    1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -1    3   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    1    1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -6    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3    3   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    4    6   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -4    6   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -2    6   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19   -6    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1    1    0    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -4    6    1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23   -1    3    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.98                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9711    2.1065    0.9781   90.1224   89.9504   91.5536      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9793    2.0846    0.9797   90.0000   90.0000   90.0000      0.0000         0.9995    2.1277
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0787    0.0134    0.0000    0.0000    0.0000      0.0000         0.0136    0.0833
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8675   -0.4911   -0.2597)
 a2 = (   -0.0756    0.0834   -0.4614)
 a3 = (    0.5179    0.8786    0.0717)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8606   -0.4860   -0.2567) (    0.0030    0.0054    0.0071)
 a2 = (   -0.0876    0.0894   -0.4631) (    0.0058    0.0055    0.0168)
 a3 = (    0.5168    0.8773    0.0716) (    0.0093    0.0120    0.0047)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -165.4027   85.9758  149.5010    0.4124    0.2568    0.3414
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0008      0.0023    0.0022    0.0382

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.5884        10.4824
# Chi-squares at the beginning and the end of the refinement
    0.0923    0.0191
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    1   -0.7365   -0.0628   -0.7289   -0.0565    0.0098    1
    2   -2    0    4   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3    1   -1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1   -3    3   -0.1863   -0.5870   -0.1976   -0.5890    0.0115    1
    5   -2    0    2    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    3   -3   -1   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7   -1   -1    1    0.1256   -0.5895    0.1201   -0.5972    0.0094    1
    8   -2    0    1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    3   -3    1   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10   -2    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3   -3    1    0.5276   -0.5969    0.5314   -0.6143    0.0178    1
   12    1   -1    1   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13   -2    0   -1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14   -4   -2   -1    0.4658   -0.1116    0.5323   -0.1459    0.0748    0
   15    1   -3    3   -0.3345   -0.2394   -0.3358   -0.2354    0.0041    1
   16   -2    0   -2    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17   -3   -3   -1    0.7127   -0.0849    0.7260   -0.0804    0.0141    1
   18   -4   -6    0    1.0214   -0.4959    1.0655   -0.4953    0.0441    1
   19   -2    0   -4    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20   -1   -1   -1    0.4391    0.1578    0.4436    0.1639    0.0075    1
   21    0    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3   -3    0.2972    0.3243    0.2970    0.3320    0.0077    1
   23    1   -3   -3    0.0360    0.2644    0.0342    0.2676    0.0037    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    1   -0.7290   -0.0550   -0.7289   -0.0565    0.0015    1
    2   -2    0    4   -0.0133   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -1   -1   -0.0249    0.0848   -0.0241    0.0824    0.0026    1
    4   -1   -3    3   -0.1958   -0.5872   -0.1976   -0.5890    0.0025    1
    5   -2    0    2    0.0575   -0.2266    0.0566   -0.2258    0.0012    1
    6    3   -3   -1   -0.1040    0.1164   -0.1046    0.1173    0.0010    1
    7   -1   -1    1    0.1204   -0.5970    0.1201   -0.5972    0.0004    1
    8   -2    0    1    0.1450   -0.2223    0.1441   -0.2219    0.0009    1
    9    3   -3    1   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10   -2    0    0    0.2264   -0.1279    0.2267   -0.1283    0.0005    1
   11   -3   -3    1    0.5346   -0.6130    0.5314   -0.6143    0.0034    1
   12    1   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13   -2    0   -1    0.1973   -0.0086    0.1981   -0.0091    0.0010    1
   14   -4   -2   -1    0.4713   -0.1108    0.5323   -0.1459    0.0704    0
   15    1   -3    3   -0.3368   -0.2371   -0.3358   -0.2354    0.0020    1
   16   -2    0   -2    0.1246    0.0350    0.1256    0.0356    0.0012    1
   17   -3   -3   -1    0.7272   -0.0804    0.7260   -0.0804    0.0012    1
   18   -4   -6    0    1.0578   -0.5105    1.0655   -0.4953    0.0171    1
   19   -2    0   -4    0.0417    0.0274    0.0407    0.0272    0.0010    1
   20   -1   -1   -1    0.4413    0.1640    0.4436    0.1639    0.0023    1
   21    0    0    1   -0.0353   -0.0609   -0.0357   -0.0605    0.0005    1
   22   -1   -3   -3    0.2945    0.3303    0.2970    0.3320    0.0030    1
   23    1   -3   -3    0.0340    0.2662    0.0342    0.2676    0.0014    1

###            No.99                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1031    3.3367    0.5439   90.1974   90.8869   92.3709      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1008    3.3126    0.5485   90.0000   90.0000   90.0000      0.0000         2.0069    6.0395
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1250    0.0079    0.0000    0.0000    0.0000      0.0000         0.0290    0.2421
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2148   -0.8577   -0.2041)
 a2 = (    0.0559   -0.0674    0.2869)
 a3 = (   -1.7485   -0.5221    0.2257)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2161   -0.8579   -0.2063) (    0.0050    0.0018    0.0059)
 a2 = (    0.0551   -0.0562    0.2914) (    0.0036    0.0035    0.0106)
 a3 = (   -1.7394   -0.4942    0.2334) (    0.0260    0.0119    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.2377   82.6461  -74.1399    0.3894    0.3040    0.3519
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0011      0.0022    0.0022    0.0390

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2451        10.3744
# Chi-squares at the beginning and the end of the refinement
    0.0997    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    6   -1   -0.7154   -0.0404   -0.7289   -0.0565    0.0210    1
    2   -6    0   -1   -0.0142   -0.1751   -0.0133   -0.1793    0.0043    1
    3    1    1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -4    6   -1   -0.2009   -0.5823   -0.1976   -0.5890    0.0075    1
    5   -2    0    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    4    6   -1   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7   -1    1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -6    0    1    0.1439   -0.2191    0.1441   -0.2219    0.0028    1
    9    1    3   -1   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10   -2    0    1    0.2239   -0.1226    0.2267   -0.1283    0.0064    1
   11   -4    6    1    0.5492   -0.6052    0.5314   -0.6143    0.0200    1
   12    0    2   -1   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13   -2    0    3    0.1911   -0.0050    0.1981   -0.0091    0.0081    1
   14   -3    5    2    0.5906   -0.1823    0.5323   -0.1459    0.0687    0
   15   -1    3   -1   -0.3334   -0.2308   -0.3358   -0.2354    0.0052    1
   16    0    0    1    0.1185    0.0354    0.1256    0.0356    0.0071    1
   17   -1    3    1    0.7147   -0.0531    0.7260   -0.0804    0.0295    1
   18   -2    6    1    1.0802   -0.4623    1.0655   -0.4953    0.0361    1
   19    2    0    3    0.0381    0.0260    0.0407    0.0272    0.0029    1
   20    0    2    1    0.4207    0.1689    0.4436    0.1639    0.0234    0
   21   -2    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    3    1    0.2759    0.3195    0.2970    0.3320    0.0245    0
   23    4    6    1    0.0325    0.2553    0.0342    0.2676    0.0124    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    6   -1   -0.7283   -0.0556   -0.7289   -0.0565    0.0011    1
    2   -6    0   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    1    1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -4    6   -1   -0.1967   -0.5871   -0.1976   -0.5890    0.0021    1
    5   -2    0    0    0.0574   -0.2268    0.0566   -0.2258    0.0013    1
    6    4    6   -1   -0.1044    0.1166   -0.1046    0.1173    0.0007    1
    7   -1    1    0    0.1204   -0.5979    0.1201   -0.5972    0.0007    1
    8   -6    0    1    0.1452   -0.2224    0.1441   -0.2219    0.0012    1
    9    1    3   -1   -0.1926    0.0481   -0.1940    0.0483    0.0014    1
   10   -2    0    1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11   -4    6    1    0.5359   -0.6130    0.5314   -0.6143    0.0047    1
   12    0    2   -1   -0.1811   -0.0378   -0.1815   -0.0378    0.0005    1
   13   -2    0    3    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -2    4    2    0.5451   -0.0746    0.5323   -0.1459    0.0725    0
   15   -1    3   -1   -0.3365   -0.2365   -0.3358   -0.2354    0.0013    1
   16    0    0    1    0.1247    0.0349    0.1256    0.0356    0.0012    1
   17   -1    3    1    0.7266   -0.0795    0.7260   -0.0804    0.0010    1
   18   -2    6    1    1.0584   -0.5086    1.0655   -0.4953    0.0152    1
   19    2    0    3    0.0420    0.0274    0.0407    0.0272    0.0012    1
   20    0    2    1    0.4409    0.1636    0.4436    0.1639    0.0027    1
   21   -2    0   -1   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22    1    3    1    0.2952    0.3297    0.2970    0.3320    0.0029    1
   23    4    6    1    0.0345    0.2669    0.0342    0.2676    0.0009    1

###            No.100                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1036    3.3384    0.5434   90.5128   90.7733   87.6192      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1008    3.3126    0.5485   90.0000   90.0000   90.0000      0.0000         2.0069    6.0395
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1250    0.0079    0.0000    0.0000    0.0000      0.0000         0.0290    0.2421
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2147   -0.8573   -0.2040)
 a2 = (   -0.0559    0.0674   -0.2867)
 a3 = (    1.7610    0.4745   -0.2477)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2161   -0.8579   -0.2063) (    0.0050    0.0018    0.0059)
 a2 = (   -0.0551    0.0562   -0.2914) (    0.0036    0.0035    0.0106)
 a3 = (    1.7394    0.4942   -0.2334) (    0.0260    0.0119    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.7623   97.3539  105.8601    0.3894    0.3040    0.3519
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0011      0.0022    0.0022    0.0390

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.4084        10.3744
# Chi-squares at the beginning and the end of the refinement
    0.1414    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -6    1   -0.7018   -0.0235   -0.7289   -0.0565    0.0427    0
    2   -6    0    1   -0.0145   -0.1726   -0.0133   -0.1793    0.0068    1
    3    1   -1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -4   -6    1   -0.2056   -0.5814   -0.1976   -0.5890    0.0110    1
    5   -2    0    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    4   -6    1   -0.0970    0.1102   -0.1046    0.1173    0.0104    1
    7   -1   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -6    0   -1    0.1443   -0.2210    0.1441   -0.2219    0.0010    1
    9    1   -3    1   -0.1774    0.0484   -0.1940    0.0483    0.0166    1
   10   -2    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -4   -6   -1    0.5426   -0.6056    0.5314   -0.6143    0.0141    1
   12    0   -2    1   -0.1684   -0.0306   -0.1815   -0.0378    0.0150    1
   13   -2    0   -3    0.2010   -0.0102    0.1981   -0.0091    0.0031    1
   14   -2   -4   -2    0.5404   -0.0719    0.5323   -0.1459    0.0745    0
   15   -1   -3    1   -0.3322   -0.2189   -0.3358   -0.2354    0.0169    1
   16    0    0   -1    0.1311    0.0353    0.1256    0.0356    0.0055    1
   17   -1   -3   -1    0.7184   -0.0718    0.7260   -0.0804    0.0115    1
   18   -2   -6   -1    1.0647   -0.4796    1.0655   -0.4953    0.0157    1
   19    2    0   -3    0.0487    0.0315    0.0407    0.0272    0.0090    1
   20    0   -2   -1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21   -2    0    1   -0.0325   -0.0535   -0.0357   -0.0605    0.0077    1
   22    1   -3   -1    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23    4   -6   -1    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -6    1   -0.7283   -0.0556   -0.7289   -0.0565    0.0011    1
    2   -6    0    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    1   -1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -4   -6    1   -0.1967   -0.5871   -0.1976   -0.5890    0.0021    1
    5   -2    0    0    0.0574   -0.2268    0.0566   -0.2258    0.0013    1
    6    4   -6    1   -0.1044    0.1166   -0.1046    0.1173    0.0007    1
    7   -1   -1    0    0.1204   -0.5979    0.1201   -0.5972    0.0007    1
    8   -6    0   -1    0.1452   -0.2224    0.1441   -0.2219    0.0012    1
    9    1   -3    1   -0.1926    0.0481   -0.1940    0.0483    0.0014    1
   10   -2    0   -1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11   -4   -6   -1    0.5359   -0.6130    0.5314   -0.6143    0.0047    1
   12    0   -2    1   -0.1811   -0.0378   -0.1815   -0.0378    0.0005    1
   13   -2    0   -3    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -2   -4   -2    0.5451   -0.0746    0.5323   -0.1459    0.0725    0
   15   -1   -3    1   -0.3365   -0.2365   -0.3358   -0.2354    0.0013    1
   16    0    0   -1    0.1247    0.0349    0.1256    0.0356    0.0012    1
   17   -1   -3   -1    0.7266   -0.0795    0.7260   -0.0804    0.0010    1
   18   -2   -6   -1    1.0584   -0.5086    1.0655   -0.4953    0.0152    1
   19    2    0   -3    0.0420    0.0274    0.0407    0.0272    0.0012    1
   20    0   -2   -1    0.4409    0.1636    0.4436    0.1639    0.0027    1
   21   -2    0    1   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22    1   -3   -1    0.2952    0.3297    0.2970    0.3320    0.0029    1
   23    4   -6   -1    0.0345    0.2669    0.0342    0.2676    0.0009    1

###            No.101                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9765    2.0998    0.9755   90.5625   89.9506   90.3101      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9797    2.0846    0.9793   90.0000   90.0000   90.0000      0.0000         1.0005    2.1287
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0816    0.0133    0.0000    0.0000    0.0000      0.0000         0.0136    0.0803
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5188   -0.8801   -0.0718)
 a2 = (    0.0820   -0.0889    0.4606)
 a3 = (   -0.8633    0.4888    0.2584)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5168   -0.8773   -0.0716) (    0.0052    0.0031    0.0046)
 a2 = (    0.0876   -0.0894    0.4631) (    0.0059    0.0056    0.0174)
 a3 = (   -0.8606    0.4860    0.2567) (    0.0124    0.0080    0.0080)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -4.1580   75.4395 -119.4520    0.2671    0.4103    0.3409
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0008      0.0023    0.0022    0.0382

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         7.8512        10.0861
# Chi-squares at the beginning and the end of the refinement
    0.1806    0.0191
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3   -1   -0.7299   -0.0559   -0.7289   -0.0565    0.0011    1
    2   -2    0    1   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3    1    1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -3    3    1   -0.1920   -0.5853   -0.1976   -0.5890    0.0067    1
    5   -2    0    2    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6    1    3   -3   -0.1016    0.1146   -0.1046    0.1173    0.0041    1
    7   -1    1    1    0.1216   -0.5929    0.1201   -0.5972    0.0045    1
    8   -2    0    4    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1    3   -3   -0.1899    0.0483   -0.1940    0.0483    0.0041    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    3    0.5314   -0.6055    0.5314   -0.6143    0.0088    1
   12   -1    1   -1   -0.1795   -0.0371   -0.1815   -0.0378    0.0022    1
   13    2    0    4    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14    1    3    4    0.6008   -0.1303    0.5323   -0.1459    0.0702    0
   15   -3    3   -1   -0.3348   -0.2368   -0.3358   -0.2354    0.0016    1
   16    2    0    2    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17    1    3    3    0.7195   -0.0803    0.7260   -0.0804    0.0065    1
   18    0    6    4    1.0422   -0.5003    1.0655   -0.4953    0.0238    1
   19    2    0    1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20    1    1    1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21   -2    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    3    3    1    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23    3    3   -1    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3   -1   -0.7290   -0.0550   -0.7289   -0.0565    0.0015    1
    2   -2    0    1   -0.0133   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    1   -1   -0.0249    0.0848   -0.0241    0.0824    0.0026    1
    4   -3    3    1   -0.1958   -0.5872   -0.1976   -0.5890    0.0025    1
    5   -2    0    2    0.0575   -0.2266    0.0566   -0.2258    0.0012    1
    6    1    3   -3   -0.1040    0.1164   -0.1046    0.1173    0.0010    1
    7   -1    1    1    0.1204   -0.5970    0.1201   -0.5972    0.0004    1
    8   -2    0    4    0.1450   -0.2223    0.1441   -0.2219    0.0009    1
    9   -1    3   -3   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0    1    0.2264   -0.1279    0.2267   -0.1283    0.0005    1
   11   -1    3    3    0.5346   -0.6130    0.5314   -0.6143    0.0034    1
   12   -1    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0001    1
   13    2    0    4    0.1973   -0.0086    0.1981   -0.0091    0.0010    1
   14    1    3    4    0.6059   -0.1311    0.5323   -0.1459    0.0751    0
   15   -3    3   -1   -0.3368   -0.2371   -0.3358   -0.2354    0.0020    1
   16    2    0    2    0.1246    0.0350    0.1256    0.0356    0.0012    1
   17    1    3    3    0.7272   -0.0804    0.7260   -0.0804    0.0012    1
   18    0    6    4    1.0578   -0.5105    1.0655   -0.4953    0.0171    1
   19    2    0    1    0.0417    0.0274    0.0407    0.0272    0.0010    1
   20    1    1    1    0.4413    0.1640    0.4436    0.1639    0.0023    1
   21   -2    0    0   -0.0353   -0.0609   -0.0357   -0.0605    0.0005    1
   22    3    3    1    0.2945    0.3303    0.2970    0.3320    0.0030    1
   23    3    3   -1    0.0340    0.2662    0.0342    0.2676    0.0014    1

###            No.102                ###
# Bravais type
 Orthorhombic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5402    2.0723    1.7929   90.3883   90.9554   85.2746      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5309    2.0782    1.8128   90.0000   90.0000   90.0000      0.0000         0.2929    1.1464
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0433    0.0368    0.0000    0.0000    0.0000      0.0000         0.0060    0.0272
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0828   -0.6641   -1.3556)
 a2 = (    0.0592    0.4639   -0.1254)
 a3 = (    0.4490    0.0348    0.3292)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0999   -0.6137   -1.4005) (    0.0096    0.0092    0.0081)
 a2 = (    0.0767    0.4543   -0.1388) (    0.0040    0.0099    0.0029)
 a3 = (    0.4391    0.0275    0.3328) (    0.0107    0.0044    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -111.2072   52.8978   93.5900    0.4452    0.4162    0.5448
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0080   -0.0044    0.0308      0.0034    0.0026    0.0118

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.4980         3.2543
# Chi-squares at the beginning and the end of the refinement
    3.4182    0.7470
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    7    1    0.0113   -0.2039   -0.0133   -0.1793    0.0348    0
    3    1   -5    3   -0.0430    0.0580   -0.0241    0.0824    0.0308    0
    4   -1    5    4   -0.1917   -0.5931   -0.1976   -0.5890    0.0073    1
    5   -1    5    0    0.0602   -0.2284    0.0566   -0.2258    0.0045    1
    6    1   -5    4   -0.1029    0.1133   -0.1046    0.1173    0.0043    1
    7   -1    3    1    0.1304   -0.5976    0.1201   -0.5972    0.0103    1
    8   -1    3   -1    0.1488   -0.2221    0.1441   -0.2219    0.0047    1
    9    1   -1    6   -0.1889    0.0467   -0.1940    0.0483    0.0054    1
   10   -1    1   -2    0.2283   -0.1257    0.2267   -0.1283    0.0031    1
   11   -1    1    0    0.5428   -0.5981    0.5314   -0.6143    0.0197    1
   12    1    1    7   -0.1922   -0.0020   -0.1815   -0.0378    0.0374    0
   13   -1   -1   -3    0.1979   -0.0076    0.1981   -0.0091    0.0015    1
   14   -3   -1   -4    0.5245   -0.1428    0.5323   -0.1459    0.0084    1
   15    0    2    3   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16   -1   -3   -4    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1   -1    0.7161   -0.0744    0.7260   -0.0804    0.0115    1
   18   -3   -1    0    1.0444   -0.4825    1.0655   -0.4953    0.0246    1
   19   -1   -7   -6    0.0426    0.0284    0.0407    0.0272    0.0022    1
   20   -1   -3   -2    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21    0    2    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -7   -2    0.2952    0.3270    0.2970    0.3320    0.0053    1
   23    0   -2    0    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7396   -0.0503   -0.7289   -0.0565    0.0124    1
    2   -1    7    1   -0.0017   -0.1973   -0.0133   -0.1793    0.0214    0
    3    1   -7    2   -0.0286    0.0491   -0.0241    0.0824    0.0336    0
    4   -1    5    4   -0.2123   -0.5927   -0.1976   -0.5890    0.0151    1
    5   -1    5    0    0.0475   -0.2279    0.0566   -0.2258    0.0093    1
    6    1   -5    4   -0.1164    0.1172   -0.1046    0.1173    0.0117    1
    7   -1    3    1    0.1228   -0.6131    0.1201   -0.5972    0.0161    1
    8   -1    3   -1    0.1419   -0.2276    0.1441   -0.2219    0.0060    1
    9    1   -1    6   -0.1915    0.0409   -0.1940    0.0483    0.0078    1
   10   -1    1   -2    0.2287   -0.1305    0.2267   -0.1283    0.0029    1
   11   -1    1    0    0.5640   -0.6014    0.5314   -0.6143    0.0350    0
   12    1    1    7   -0.1881   -0.0058   -0.1815   -0.0378    0.0327    0
   13   -1   -1   -3    0.2021   -0.0109    0.1981   -0.0091    0.0043    1
   14   -3   -1   -4    0.5271   -0.1375    0.5323   -0.1459    0.0099    1
   15    0    2    3   -0.3346   -0.2245   -0.3358   -0.2354    0.0110    1
   16   -1   -3   -4    0.1336    0.0350    0.1256    0.0356    0.0080    1
   17   -1   -1   -1    0.7110   -0.0631    0.7260   -0.0804    0.0229    1
   18   -3   -1    0    1.0581   -0.4423    1.0655   -0.4953    0.0535    0
   19   -1   -7   -6    0.0525    0.0343    0.0407    0.0272    0.0137    1
   20   -1   -3   -2    0.4382    0.1581    0.4436    0.1639    0.0079    1
   21    0    2    1   -0.0338   -0.0451   -0.0357   -0.0605    0.0155    1
   22   -1   -7   -2    0.3072    0.3242    0.2970    0.3320    0.0129    1
   23    0   -2    0    0.0406    0.2836    0.0342    0.2676    0.0172    1

###                                ###
### Candidates for Orthorhombic(P) ###
###                                ###

###            No.1                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9906    1.0048    1.0048   90.0261   90.1692   90.9941      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0034    0.9975    0.9991   90.0000   90.0000   90.0000      0.0000         1.0043    0.9984
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0432    0.0407    0.0000    0.0000    0.0000      0.0000         0.0409    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2015   -0.1801    0.9728)
 a2 = (    0.9495    0.2693   -0.1288)
 a3 = (   -0.2355    0.9402    0.2259)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1820   -0.1853    0.9621) (    0.0068    0.0061    0.0021)
 a2 = (    0.9564    0.2715   -0.1287) (    0.0424    0.0116    0.0048)
 a3 = (   -0.2378    0.9454    0.2271) (    0.0113    0.0398    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.5723   76.8858 -165.8816    0.3382    0.4065    0.3309
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0022    0.0023    0.0410

# Number of computed bands
            400            169
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.8084
# Chi-squares at the beginning and the end of the refinement
    0.6083    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    1    3   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    1    0   -3   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4    1    1    2   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0    0    1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1    1   -2   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7    1    0    3    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    0   -1    3    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    1    2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    3    0   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    0   -3    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1   -3    2    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15    1    2    1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -2    1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    1   -1    1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    0   -3   -1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    1   -3    0    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    0    1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1   -2   -1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    1   -1   -2    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0555   -0.7289   -0.0565    0.0010    1
    2    0    1    3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    1    0   -3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    1    2   -0.1964   -0.5869   -0.1976   -0.5890    0.0024    1
    5    0    0    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1    1   -2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    1    0    3    0.1201   -0.5975    0.1201   -0.5972    0.0003    1
    8    0   -1    3    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    1    2   -1   -0.1926    0.0483   -0.1940    0.0483    0.0015    1
   10    0   -1    1    0.2267   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -1    2    0.5351   -0.6137    0.5314   -0.6143    0.0037    1
   12    1    3    0   -0.1811   -0.0377   -0.1815   -0.0378    0.0005    1
   13    0   -3    1    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    1   -3    2    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15    1    2    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -1    0    0.1251    0.0351    0.1256    0.0356    0.0008    1
   17    1   -2    1    0.7277   -0.0805    0.7260   -0.0804    0.0017    1
   18    1   -1    1    1.0583   -0.5110    1.0655   -0.4953    0.0173    1
   19    0   -3   -1    0.0422    0.0276    0.0407    0.0272    0.0015    1
   20    1   -3    0    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    0    1    1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22    1   -2   -1    0.2955    0.3305    0.2970    0.3320    0.0022    1
   23    1   -1   -2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.2                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9855    1.0013    1.0141   91.9005   90.4410   90.8349      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9991    0.9975    1.0034   90.0000   90.0000   90.0000      0.0000         0.9957    0.9941
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0147    0.0409    0.0000    0.0000    0.0000      0.0000         0.0406    0.0431
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2550    0.9544    0.2323)
 a2 = (   -0.9533   -0.2704    0.1294)
 a3 = (    0.1480   -0.1850    0.9578)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2378    0.9454    0.2271) (    0.0055    0.0021    0.0069)
 a2 = (   -0.9564   -0.2715    0.1287) (    0.0145    0.0066    0.0057)
 a3 = (    0.1820   -0.1853    0.9621) (    0.0131    0.0124    0.0376)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.5057   15.1101   44.4844    0.9573    0.4598    1.0592
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0022    0.0023    0.0410

# Number of computed bands
            400            172
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.4772
# Chi-squares at the beginning and the end of the refinement
    0.2978    0.0102
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3   -1    0   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -3    0    1   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    2   -1    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1    0    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -2   -1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    3    0    1    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    3    1    0    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9   -1   -2    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    0   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    0    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    2    3    1    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    1   -2    1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    2    1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    1    1    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -1    3    0    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    0    3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1   -1    0   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22   -1    2    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -2    1    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7289   -0.0555   -0.7289   -0.0565    0.0010    1
    2    3   -1    0   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    0    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2   -1    1   -0.1964   -0.5869   -0.1976   -0.5890    0.0024    1
    5    1    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2   -1    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    3    0    1    0.1201   -0.5975    0.1201   -0.5972    0.0003    1
    8    3    1    0    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1   -2    1   -0.1926    0.0483   -0.1940    0.0483    0.0015    1
   10    1    1    0    0.2267   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    1    1    0.5351   -0.6137    0.5314   -0.6143    0.0037    1
   12    0   -3    1   -0.1811   -0.0377   -0.1815   -0.0378    0.0005    1
   13    1    3    0    0.1977   -0.0086    0.1981   -0.0091    0.0006    1
   14    2    3    1    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15    1   -2    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    1    0    0.1251    0.0351    0.1256    0.0356    0.0008    1
   17    1    2    1    0.7277   -0.0805    0.7260   -0.0804    0.0017    1
   18    1    1    1    1.0583   -0.5110    1.0655   -0.4953    0.0173    1
   19   -1    3    0    0.0422    0.0276    0.0407    0.0272    0.0015    1
   20    0    3    1    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1    0   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22   -1    2    1    0.2955    0.3305    0.2970    0.3320    0.0022    1
   23   -2    1    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.3                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9976    0.9990    1.0034   90.0410   90.1487   90.0532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0007    0.9965    1.0028   90.0000   90.0000   90.0000      0.0000         0.9979    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0139    0.0375    0.0000    0.0000    0.0000      0.0000         0.0374    0.0398
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2372   -0.9470   -0.2272)
 a2 = (   -0.9551   -0.2709    0.1279)
 a3 = (   -0.1815    0.1828   -0.9628)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2379   -0.9436   -0.2271) (    0.0054    0.0019    0.0065)
 a2 = (   -0.9573   -0.2723    0.1285) (    0.0139    0.0062    0.0054)
 a3 = (   -0.1821    0.1858   -0.9627) (    0.0120    0.0114    0.0346)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.6040  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            159            167
# Figure of merit at the beginning and the end of the refinement
        31.8190        36.8810
# Chi-squares at the beginning and the end of the refinement
    0.0293    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2   -3   -1    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    3    0   -1   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4   -2   -1   -1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    0   -1    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8   -3    1    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1   -2   -1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10   -1    1    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -2    1   -1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    0   -3   -1   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -1    3    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -2    3   -1    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15   -1   -2   -1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    0    1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1    2   -1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18   -1    1   -1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19    1    3    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    0    3   -1    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    2    1   -1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -3   -1    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    3    0   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2   -1   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5   -1    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    2   -1   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    0   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -3    1    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1   -2   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10   -1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -2    1   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    0   -3   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -1    3    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -2    3   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -1   -2   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    1    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1    2   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18   -1    1   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    1    3    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    3   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    2   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    2    1   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.4                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9973    1.0007    1.0021   89.9453   89.5045   89.8382      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0028    1.0007    0.9965   90.0000   90.0000   90.0000      0.0000         1.0063    1.0042
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0375    0.0399    0.0000    0.0000    0.0000      0.0000         0.0403    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1736   -0.1863    0.9699)
 a2 = (    0.2365   -0.9441   -0.2265)
 a3 = (    0.9522    0.2701   -0.1275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1821   -0.1858    0.9627) (    0.0063    0.0058    0.0019)
 a2 = (    0.2379   -0.9436   -0.2271) (    0.0107    0.0364    0.0060)
 a3 = (    0.9573    0.2723   -0.1285) (    0.0392    0.0109    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2477   97.3565  105.8767    0.3874    0.3013    0.3456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            163            168
# Figure of merit at the beginning and the end of the refinement
        22.0792        36.7710
# Chi-squares at the beginning and the end of the refinement
    0.2054    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2    0   -3    1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1    3    0   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4    1   -2    1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2    1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7    1   -3    0    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    0   -3   -1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1    1    2   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    0   -1   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1   -2   -1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    1    0    3   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    0   -1   -3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    1   -2   -3    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15    1   -1    2   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    0   -1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1   -1   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1   -1   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    0    1   -3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    1    0   -3    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    2   -1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2    0   -3    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    1    3    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -2    1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0   -1    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    2    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    1   -3    0    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    0   -3   -1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1    1    2   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    0   -1   -1    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1   -2   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12    1    0    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    0   -1   -3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    1   -2   -3    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15    1   -1    2   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    0    0   -1    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1   -1   -2    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    1   -1   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    0    1   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    0   -3    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21    0   -1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    1   -2    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1    2   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.5                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9991    0.9992    1.0017   89.9283   89.9127   89.9708      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9965    1.0007    1.0028   90.0000   90.0000   90.0000      0.0000         0.9937    0.9979
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0140    0.0401    0.0000    0.0000    0.0000      0.0000         0.0398    0.0374
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9548   -0.2708    0.1296)
 a2 = (   -0.2368    0.9455    0.2272)
 a3 = (   -0.1816    0.1848   -0.9640)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9573   -0.2723    0.1285) (    0.0020    0.0057    0.0052)
 a2 = (   -0.2379    0.9436    0.2271) (    0.0067    0.0128    0.0078)
 a3 = (   -0.1821    0.1858   -0.9627) (    0.0125    0.0120    0.0370)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.3960  164.8788 -135.5827    0.9354    0.4229    1.0435
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0006      0.0022    0.0022    0.0388

# Number of computed bands
            169            169
# Figure of merit at the beginning and the end of the refinement
        36.0958        36.6621
# Chi-squares at the beginning and the end of the refinement
    0.0275    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7301   -0.0553   -0.7289   -0.0565    0.0017    1
    2   -1    3    0   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    0   -3   -1   -0.0254    0.0860   -0.0241    0.0824    0.0038    1
    4   -1    2   -1   -0.1965   -0.5860   -0.1976   -0.5890    0.0032    1
    5    0    1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1   -2   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    0    3   -1    0.1190   -0.5968    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -2   -1   -1   -0.1929    0.0488   -0.1940    0.0483    0.0013    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2   -1    0.5339   -0.6146    0.5314   -0.6143    0.0025    1
   12   -3    0   -1   -0.1812   -0.0373   -0.1815   -0.0378    0.0006    1
   13    3    1    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    3    2   -1    0.5300   -0.1501    0.5323   -0.1459    0.0047    1
   15   -2    1   -1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    1   -1    0.7291   -0.0813    0.7260   -0.0804    0.0032    1
   18    1    1   -1    1.0586   -0.5134    1.0655   -0.4953    0.0194    1
   19    3   -1    0    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    3    0   -1    0.4430    0.1647    0.4436    0.1639    0.0010    1
   21   -1    1    0   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    2   -1   -1    0.2959    0.3318    0.2970    0.3320    0.0011    1
   23    1   -2   -1    0.0342    0.2681    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -1    3    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -3   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    2   -1   -0.1969   -0.5872   -0.1976   -0.5890    0.0019    1
    5    0    1    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -2   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    3   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -2   -1   -1   -0.1926    0.0480   -0.1940    0.0483    0.0015    1
   10    1    1    0    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11    1    2   -1    0.5366   -0.6130    0.5314   -0.6143    0.0053    1
   12   -3    0   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13    3    1    0    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3    2   -1    0.5289   -0.1481    0.5323   -0.1459    0.0040    1
   15   -2    1   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    1    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    2    1   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    1    1   -1    1.0592   -0.5079    1.0655   -0.4953    0.0141    1
   19    3   -1    0    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3    0   -1    0.4408    0.1638    0.4436    0.1639    0.0028    1
   21   -1    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2   -1   -1    0.2952    0.3298    0.2970    0.3320    0.0029    1
   23    1   -2   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.9                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7842    1.1121    1.1473   88.0838   89.8670   89.9136      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7942    1.1221    1.1222   90.0000   90.0000   90.0000      0.0000         0.7077    0.9999
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0204    0.0223    0.0000    0.0000    0.0000      0.0000         0.0141    0.0262
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3018    1.2048    0.2891)
 a2 = (    0.5132    0.2902   -0.6796)
 a3 = (   -0.7019   -0.0544   -0.5147)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2991    1.1891    0.2866) (    0.0069    0.0021    0.0056)
 a2 = (    0.4856    0.2883   -0.6894) (    0.0140    0.0069    0.0106)
 a3 = (   -0.7166   -0.0532   -0.5270) (    0.0177    0.0064    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  163.6039  126.2581  -85.7518    0.3507    0.5235    0.4660
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0035      0.0023    0.0022    0.0127

# Number of computed bands
            400            180
# Figure of merit at the beginning and the end of the refinement
         5.3861        35.5885
# Chi-squares at the beginning and the end of the refinement
    0.7175    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1   -1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -3   -1   -1   -0.0223    0.0786   -0.0241    0.0824    0.0042    1
    4    1    0   -1   -0.1842   -0.5798   -0.1976   -0.5890    0.0162    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0   -1   -0.0971    0.1113   -0.1046    0.1173    0.0096    1
    7    3   -1   -1    0.1239   -0.5839    0.1201   -0.5972    0.0138    1
    8    3   -1    1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1    1   -3   -0.1848    0.0475   -0.1940    0.0483    0.0093    1
   10    1   -1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    1   -1    0    0.5261   -0.5904    0.5314   -0.6143    0.0245    1
   12    0    1   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -3    3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    1   -2    1    0.5176   -0.1453    0.5323   -0.1459    0.0147    1
   15    1    1   -3   -0.3292   -0.2356   -0.3358   -0.2354    0.0066    1
   16    0   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3    1    0.7044   -0.0775    0.7260   -0.0804    0.0218    1
   18    1   -2    0    1.0164   -0.4778    1.0655   -0.4953    0.0521    0
   19   -1   -3    3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    0   -2    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1   -3    1    0.2886    0.3169    0.2970    0.3320    0.0172    1
   23   -1   -1    0    0.0362    0.2561    0.0342    0.2676    0.0118    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7284   -0.0546   -0.7289   -0.0565    0.0020    1
    2    3    1   -1   -0.0133   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -3   -1   -1   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    1    0   -1   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    1    0    0    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6   -1    0   -1   -0.1044    0.1168   -0.1046    0.1173    0.0006    1
    7    3   -1   -1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    3   -1    1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -1    1   -3   -0.1927    0.0483   -0.1940    0.0483    0.0013    1
   10    1   -1    1    0.2264   -0.1280    0.2267   -0.1283    0.0004    1
   11    1   -1    0    0.5353   -0.6143    0.5314   -0.6143    0.0038    1
   12    0    1   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    1   -3    3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    1   -2    1    0.5295   -0.1493    0.5323   -0.1459    0.0044    1
   15    1    1   -3   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -1    1    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    1   -3    1    0.7284   -0.0802    0.7260   -0.0804    0.0024    1
   18    1   -2    0    1.0605   -0.5115    1.0655   -0.4953    0.0169    1
   19   -1   -3    3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -2    1    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    1    1   -1   -0.0349   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1   -3    1    0.2951    0.3308    0.2970    0.3320    0.0023    1
   23   -1   -1    0    0.0342    0.2670    0.0342    0.2676    0.0007    1

###            No.10                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7846    1.1118    1.1473   91.9162   91.3508   89.9695      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1180    1.1250   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0172    0.0213    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2791   -1.2063   -0.3040)
 a2 = (   -0.5133   -0.2903    0.6798)
 a3 = (   -0.7021   -0.0544   -0.5148)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2991   -1.1875   -0.2869) (    0.0069    0.0020    0.0055)
 a2 = (   -0.4888   -0.2900    0.6907) (    0.0115    0.0058    0.0098)
 a3 = (   -0.7138   -0.0524   -0.5271) (    0.0163    0.0061    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.4557  126.3731  -85.8000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            400            180
# Figure of merit at the beginning and the end of the refinement
         5.2367        35.5444
# Chi-squares at the beginning and the end of the refinement
    0.9653    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1   -1   -0.0178   -0.1868   -0.0133   -0.1793    0.0088    1
    3    3    1   -1   -0.0182    0.0685   -0.0241    0.0824    0.0151    1
    4   -1    0   -1   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5   -1    0    0    0.0553   -0.2392    0.0566   -0.2258    0.0135    1
    6    1    0   -1   -0.0904    0.1061   -0.1046    0.1173    0.0181    0
    7   -3    1   -1    0.1151   -0.6006    0.1201   -0.5972    0.0061    1
    8   -3    1    1    0.1480   -0.2361    0.1441   -0.2219    0.0147    1
    9    1   -1   -3   -0.1812    0.0471   -0.1940    0.0483    0.0129    1
   10   -1    1    1    0.2355   -0.1358    0.2267   -0.1283    0.0115    1
   11   -1    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0   -1   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1    3    3    0.2031   -0.0089    0.1981   -0.0091    0.0050    1
   14   -1    2    1    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15   -1   -1   -3   -0.3322   -0.2356   -0.3358   -0.2354    0.0035    1
   16    0    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    3    1    0.7163   -0.0798    0.7260   -0.0804    0.0097    1
   18   -1    2    0    1.0361   -0.4964    1.0655   -0.4953    0.0294    1
   19    1    3    3    0.0393    0.0261    0.0407    0.0272    0.0018    1
   20    0    2    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1   -1   -1   -0.0397   -0.0657   -0.0357   -0.0605    0.0065    1
   22    1    3    1    0.2853    0.3098    0.2970    0.3320    0.0251    0
   23    1    1    0    0.0384    0.2451    0.0342    0.2676    0.0230    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3   -1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    0   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1   -1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0   -1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    2    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    1    1    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1    3    1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -1    2    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1    3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    3    1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    1    1    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.11                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7998    1.1012    1.1360   88.0838   89.8670   89.9136      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1180    1.1250   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0172    0.0213    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2959    1.1812    0.2834)
 a2 = (    0.5183    0.2931   -0.6863)
 a3 = (   -0.7089   -0.0549   -0.5198)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2991    1.1875    0.2869) (    0.0069    0.0020    0.0055)
 a2 = (    0.4888    0.2900   -0.6907) (    0.0115    0.0058    0.0098)
 a3 = (   -0.7138   -0.0524   -0.5271) (    0.0163    0.0061    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  163.5443  126.3731  -85.8000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            187            180
# Figure of merit at the beginning and the end of the refinement
         9.0975        35.5444
# Chi-squares at the beginning and the end of the refinement
    0.7729    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1   -1   -0.0152   -0.1744   -0.0133   -0.1793    0.0053    1
    3   -3   -1   -1   -0.0248    0.0870   -0.0241    0.0824    0.0047    1
    4    1    0   -1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0   -1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3   -1   -1    0.1256   -0.5956    0.1201   -0.5972    0.0057    1
    8    3   -1    1    0.1464   -0.2213    0.1441   -0.2219    0.0024    1
    9   -1    1   -3   -0.1891    0.0465   -0.1940    0.0483    0.0053    1
   10    1   -1    1    0.2274   -0.1244    0.2267   -0.1283    0.0040    1
   11    1   -1    0    0.5439   -0.5933    0.5314   -0.6143    0.0244    1
   12    0    1   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -3    3    0.1966   -0.0068    0.1981   -0.0091    0.0028    1
   14    1   -2    1    0.5202   -0.1376    0.5323   -0.1459    0.0147    1
   15    1    1   -3   -0.3311   -0.2311   -0.3358   -0.2354    0.0064    1
   16    0   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3    1    0.7055   -0.0681    0.7260   -0.0804    0.0239    1
   18    1   -2    0    1.0363   -0.4627    1.0655   -0.4953    0.0437    1
   19   -1   -3    3    0.0446    0.0293    0.0407    0.0272    0.0044    1
   20    0   -2    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1   -1   -0.0340   -0.0558   -0.0357   -0.0605    0.0051    1
   22   -1   -3    1    0.2960    0.3182    0.2970    0.3320    0.0138    1
   23   -1   -1    0    0.0403    0.2672    0.0342    0.2676    0.0062    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    3    1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3   -1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    0   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3   -1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3   -1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1    1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -1    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -2    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -1    1    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1   -3    1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    1   -2    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -1   -3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -3    1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -1   -1    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.14                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7934    1.1210    1.1243   89.9799   89.9695   89.9877      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1250    1.1180   90.0000   90.0000   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0213    0.0172    0.0000    0.0000    0.0000      0.0000         0.0110    0.0219
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2997   -1.1910   -0.2832)
 a2 = (    0.7180    0.0557    0.5265)
 a3 = (   -0.4839   -0.2853    0.6896)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2991   -1.1875   -0.2869) (    0.0069    0.0020    0.0055)
 a2 = (    0.7138    0.0524    0.5271) (    0.0163    0.0061    0.0076)
 a3 = (   -0.4888   -0.2900    0.6907) (    0.0115    0.0058    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -21.0368   39.4489  -59.3237    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            179            180
# Figure of merit at the beginning and the end of the refinement
        23.9063        35.5444
# Chi-squares at the beginning and the end of the refinement
    0.0497    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1   -1   -0.0135   -0.1744   -0.0133   -0.1793    0.0049    1
    3    3    1    1   -0.0264    0.0885   -0.0241    0.0824    0.0065    1
    4   -1    1    0   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5   -1    0    0    0.0563   -0.2237    0.0566   -0.2258    0.0021    1
    6    1    1    0   -0.1065    0.1188   -0.1046    0.1173    0.0024    1
    7   -3    1    1    0.1182   -0.5943    0.1201   -0.5972    0.0034    1
    8   -3   -1    1    0.1432   -0.2203    0.1441   -0.2219    0.0019    1
    9    1    3   -1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10   -1   -1    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11   -1    0    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0    2   -1   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13   -1   -3    3    0.1974   -0.0085    0.1981   -0.0091    0.0009    1
   14   -1   -1    2    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15   -1    3   -1   -0.3358   -0.2360   -0.3358   -0.2354    0.0006    1
   16    0   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    3    0.7299   -0.0826    0.7260   -0.0804    0.0045    1
   18   -1    0    2    1.0580   -0.5179    1.0655   -0.4953    0.0239    1
   19    1   -3    3    0.0430    0.0288    0.0407    0.0272    0.0028    1
   20    0   -1    2    0.4445    0.1651    0.4436    0.1639    0.0015    1
   21   -1    1   -1   -0.0343   -0.0582   -0.0357   -0.0605    0.0027    1
   22    1   -1    3    0.2974    0.3343    0.2970    0.3320    0.0023    1
   23    1    0    1    0.0338    0.2710    0.0342    0.2676    0.0034    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3    1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1    3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    1    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -1    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -1    1    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -1    3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -1    0    2    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1   -3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -1    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1   -1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -1    3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    1    0    1    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.17                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7888    1.1183    1.1338   90.9599   90.3677   90.0784      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1180    1.1250   90.0000   90.0000   90.0000      0.0000         0.7067    0.9937
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0172    0.0213    0.0000    0.0000    0.0000      0.0000         0.0134    0.0216
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3088   -1.1971   -0.2807)
 a2 = (    0.4983    0.2877   -0.6846)
 a3 = (    0.7100    0.0550    0.5206)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2991   -1.1875   -0.2869) (    0.0069    0.0020    0.0055)
 a2 = (    0.4888    0.2900   -0.6907) (    0.0115    0.0058    0.0098)
 a3 = (    0.7138    0.0524    0.5271) (    0.0163    0.0061    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -163.5443   53.6269   94.2000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            183            180
# Figure of merit at the beginning and the end of the refinement
        10.4780        35.5444
# Chi-squares at the beginning and the end of the refinement
    0.3125    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    1   -0.0123   -0.1715   -0.0133   -0.1793    0.0079    1
    3    3   -1    1   -0.0260    0.0872   -0.0241    0.0824    0.0051    1
    4   -1    0    1   -0.1860   -0.5804   -0.1976   -0.5890    0.0144    1
    5   -1    0    0    0.0567   -0.2199    0.0566   -0.2258    0.0059    1
    6    1    0    1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -3   -1    1    0.1241   -0.5832    0.1201   -0.5972    0.0145    1
    8   -3   -1   -1    0.1422   -0.2163    0.1441   -0.2219    0.0060    1
    9    1    1    3   -0.1909    0.0484   -0.1940    0.0483    0.0032    1
   10   -1   -1   -1    0.2225   -0.1253    0.2267   -0.1283    0.0051    1
   11   -1   -1    0    0.5270   -0.5938    0.5314   -0.6143    0.0210    1
   12    0    1    2   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13   -1   -3   -3    0.1960   -0.0084    0.1981   -0.0091    0.0022    1
   14   -1   -2   -1    0.5193   -0.1460    0.5323   -0.1459    0.0130    1
   15   -1    1    3   -0.3315   -0.2358   -0.3358   -0.2354    0.0043    1
   16    0   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3   -1    0.7128   -0.0791    0.7260   -0.0804    0.0133    1
   18   -1   -2    0    1.0302   -0.4906    1.0655   -0.4953    0.0356    1
   19    1   -3   -3    0.0439    0.0295    0.0407    0.0272    0.0039    1
   20    0   -2   -1    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21   -1    1    1   -0.0330   -0.0565   -0.0357   -0.0605    0.0048    1
   22    1   -3   -1    0.2943    0.3283    0.2970    0.3320    0.0046    1
   23    1   -1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3    1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3   -1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    0    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    0    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1    1    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -1    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0    1    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -1   -1    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -3   -1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -1   -2    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1   -3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -3   -1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    1   -1    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.22                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7934    1.1192    1.1262   90.0907   90.0627   90.2110      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1250    1.1180   90.0000   90.0000   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0213    0.0172    0.0000    0.0000    0.0000      0.0000         0.0110    0.0219
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2983   -1.1908   -0.2857)
 a2 = (   -0.7165   -0.0555   -0.5310)
 a3 = (    0.4851    0.2853   -0.6868)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2991   -1.1875   -0.2869) (    0.0069    0.0020    0.0055)
 a2 = (   -0.7138   -0.0524   -0.5271) (    0.0163    0.0061    0.0076)
 a3 = (    0.4888    0.2900   -0.6907) (    0.0115    0.0058    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -158.9632  140.5511  120.6763    0.4342    0.4320    0.5188
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            179            181
# Figure of merit at the beginning and the end of the refinement
        18.0802        35.4460
# Chi-squares at the beginning and the end of the refinement
    0.0680    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7367   -0.0571   -0.7289   -0.0565    0.0078    1
    2   -3   -1    1   -0.0140   -0.1781   -0.0133   -0.1793    0.0014    1
    3    3   -1   -1   -0.0258    0.0872   -0.0241    0.0824    0.0051    1
    4   -1   -1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1    0   -0.1073    0.1201   -0.1046    0.1173    0.0039    1
    7   -3   -1   -1    0.1185   -0.5972    0.1201   -0.5972    0.0016    1
    8   -3    1   -1    0.1431   -0.2206    0.1441   -0.2219    0.0016    1
    9    1   -3    1   -0.1989    0.0501   -0.1940    0.0483    0.0052    1
   10   -1    1   -1    0.2229   -0.1263    0.2267   -0.1283    0.0043    1
   11   -1    0   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0   -2    1   -0.1876   -0.0388   -0.1815   -0.0378    0.0061    1
   13   -1    3   -3    0.1927   -0.0083    0.1981   -0.0091    0.0055    1
   14   -1    1   -2    0.5259   -0.1496    0.5323   -0.1459    0.0074    1
   15   -1   -3    1   -0.3414   -0.2400   -0.3358   -0.2354    0.0072    1
   16    0    1   -1    0.1201    0.0341    0.1256    0.0356    0.0058    1
   17   -1    1   -3    0.7256   -0.0821    0.7260   -0.0804    0.0018    1
   18   -1    0   -2    1.0557   -0.5162    1.0655   -0.4953    0.0231    1
   19    1    3   -3    0.0380    0.0254    0.0407    0.0272    0.0033    1
   20    0    1   -2    0.4391    0.1630    0.4436    0.1639    0.0045    1
   21   -1   -1    1   -0.0371   -0.0629   -0.0357   -0.0605    0.0028    1
   22    1    1   -3    0.2939    0.3297    0.2970    0.3320    0.0038    1
   23    1    0   -1    0.0339    0.2674    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2   -3   -1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3   -1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1   -3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0   -1    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0   -2    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    1   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    1   -1    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1    1   -3    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -1    0   -2    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19    1    3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    1   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    1   -3    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    1    0   -1    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.27                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7947    1.1193    1.1243   90.0760   90.5300   90.5717      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7915    1.1248    1.1233   90.0000   90.0000   90.0000      0.0000         0.7047    1.0013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0187    0.0193    0.0000    0.0000    0.0000      0.0000         0.0121    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.2004    0.3405   -0.1629)
 a2 = (   -0.0257    0.4831    0.7512)
 a3 = (    0.2724   -0.7072    0.4656)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.2051    0.3429   -0.1620) (    0.0023    0.0071    0.0054)
 a2 = (   -0.0346    0.4761    0.7501) (    0.0041    0.0103    0.0121)
 a3 = (    0.2650   -0.7120    0.4642) (    0.0076    0.0142    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -8.6418   58.5760   20.4128    0.2869    0.3951    0.4041
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            291            293
# Figure of merit at the beginning and the end of the refinement
        14.0294        27.4154
# Chi-squares at the beginning and the end of the refinement
    0.0428    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7236   -0.0582   -0.7289   -0.0565    0.0056    1
    2    1    3   -3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0   -1    2   -0.0262    0.0870   -0.0241    0.0824    0.0050    1
    4    1    3   -1   -0.1987   -0.5831   -0.1976   -0.5890    0.0059    1
    5    0    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1    3   -0.1060    0.1175   -0.1046    0.1173    0.0014    1
    7    0    2   -1    0.1156   -0.5972    0.1201   -0.5972    0.0045    1
    8   -1    3   -3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    1    0    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10   -1    1   -1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -1    3   -1    0.5305   -0.6215    0.5314   -0.6143    0.0073    1
   12    3    1    1   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -3    1   -1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -3    3   -1    0.5323   -0.1529    0.5323   -0.1459    0.0070    1
   15    1    1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1    0    0.7356   -0.0855    0.7260   -0.0804    0.0109    1
   18   -1    2    0    1.0644   -0.5319    1.0655   -0.4953    0.0367    1
   19   -3   -1    1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -3    1    1    0.4468    0.1659    0.4436    0.1639    0.0038    1
   21    1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    0    1    0.2977    0.3361    0.2970    0.3320    0.0042    1
   23   -1   -1    3    0.0328    0.2705    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2    1    3   -3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -1    2   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1    3   -1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0    1   -1    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1   -1    3   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0    2   -1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1    3   -3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    1    0    1   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1    1   -1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    3   -1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12    3    1    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3    1   -1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3    3   -1    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15    1    1    0   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -1    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -1    1    0    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -1    2    0    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19   -3   -1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3    1    1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21    1    1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1    0    1    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23   -1   -1    3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.28                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7937    1.1170    1.1280   89.8575   89.8896   89.8468      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7915    1.1248    1.1233   90.0000   90.0000   90.0000      0.0000         0.7047    1.0013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0187    0.0193    0.0000    0.0000    0.0000      0.0000         0.0121    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.2020    0.3409   -0.1631)
 a2 = (    0.0332   -0.4855   -0.7514)
 a3 = (   -0.2653    0.7063   -0.4655)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.2051    0.3429   -0.1620) (    0.0023    0.0071    0.0054)
 a2 = (    0.0346   -0.4761   -0.7501) (    0.0041    0.0103    0.0121)
 a3 = (   -0.2650    0.7120   -0.4642) (    0.0076    0.0142    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -171.3582  121.4240 -159.5872    0.2869    0.3951    0.4041
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0005    0.0011      0.0021    0.0023    0.0143

# Number of computed bands
            299            294
# Figure of merit at the beginning and the end of the refinement
        17.6571        27.3687
# Chi-squares at the beginning and the end of the refinement
    0.0667    0.0184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7297   -0.0612   -0.7289   -0.0565    0.0047    1
    2    1   -3    3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0    1   -2   -0.0258    0.0869   -0.0241    0.0824    0.0048    1
    4    1   -3    1   -0.1952   -0.5840   -0.1976   -0.5890    0.0055    1
    5    0   -1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1   -3   -0.1058    0.1179   -0.1046    0.1173    0.0014    1
    7    0   -2    1    0.1177   -0.5952    0.1201   -0.5972    0.0031    1
    8   -1   -3    3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    1    0   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1   -1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -1   -3    1    0.5296   -0.6158    0.5314   -0.6143    0.0024    1
   12    3   -1   -1   -0.1816   -0.0380   -0.1815   -0.0378    0.0002    1
   13   -3   -1    1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -3   -3    1    0.5300   -0.1522    0.5323   -0.1459    0.0066    1
   15    1   -1    0   -0.3356   -0.2373   -0.3358   -0.2354    0.0019    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    0    0.7304   -0.0855    0.7260   -0.0804    0.0068    1
   18   -1   -2    0    1.0534   -0.5233    1.0655   -0.4953    0.0305    1
   19   -3    1   -1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -3   -1   -1    0.4452    0.1641    0.4436    0.1639    0.0017    1
   21    1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    0   -1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1    1   -3    0.0342    0.2700    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7277   -0.0548   -0.7289   -0.0565    0.0021    1
    2    1   -3    3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    1   -2   -0.0251    0.0856   -0.0241    0.0824    0.0033    1
    4    1   -3    1   -0.1971   -0.5872   -0.1976   -0.5890    0.0018    1
    5    0   -1    1    0.0574   -0.2265    0.0566   -0.2258    0.0011    1
    6    1    1   -3   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7    0   -2    1    0.1205   -0.5982    0.1201   -0.5972    0.0011    1
    8   -1   -3    3    0.1452   -0.2222    0.1441   -0.2219    0.0011    1
    9    1    0   -1   -0.1927    0.0480   -0.1940    0.0483    0.0014    1
   10   -1   -1    1    0.2265   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -3    1    0.5370   -0.6132    0.5314   -0.6143    0.0057    1
   12    3   -1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0006    1
   13   -3   -1    1    0.1971   -0.0085    0.1981   -0.0091    0.0012    1
   14   -3   -3    1    0.5289   -0.1479    0.5323   -0.1459    0.0039    1
   15    1   -1    0   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -1    0    0    0.1247    0.0348    0.1256    0.0356    0.0012    1
   17   -1   -1    0    0.7269   -0.0786    0.7260   -0.0804    0.0020    1
   18   -1   -2    0    1.0608   -0.5075    1.0655   -0.4953    0.0131    1
   19   -3    1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3   -1   -1    0.4407    0.1640    0.4436    0.1639    0.0029    1
   21    1   -1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1    0   -1    0.2949    0.3299    0.2970    0.3320    0.0029    1
   23   -1    1   -3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.30                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6378    0.8784    1.7849   90.0770   90.0153   90.0328      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6310    0.8873    1.7859   90.0000   90.0000   90.0000      0.0000         0.3534    0.4969
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0137    0.0338    0.0000    0.0000    0.0000      0.0000         0.0067    0.0108
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3740    1.4828    0.3462)
 a2 = (   -0.6280   -0.3626    0.8776)
 a3 = (    0.4474    0.0347    0.3355)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3768    1.4962    0.3614) (    0.0087    0.0025    0.0069)
 a2 = (   -0.6159   -0.3653    0.8702) (    0.0145    0.0073    0.0124)
 a3 = (    0.4497    0.0330    0.3321) (    0.0103    0.0039    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   16.4557   53.6269   94.2000    0.3305    0.4380    0.4522
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            331            330
# Figure of merit at the beginning and the end of the refinement
         8.3224        26.2512
# Chi-squares at the beginning and the end of the refinement
    0.2035    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7454   -0.0578   -0.7289   -0.0565    0.0165    1
    2    3   -1    2   -0.0139   -0.1693   -0.0133   -0.1793    0.0100    1
    3   -3    1    2   -0.0290    0.0991   -0.0241    0.0824    0.0174    1
    4    1    0    2   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    1    0    0    0.0554   -0.2195    0.0566   -0.2258    0.0064    1
    6   -1    0    2   -0.1142    0.1272   -0.1046    0.1173    0.0138    1
    7    3    1    2    0.1229   -0.5973    0.1201   -0.5972    0.0028    1
    8    3    1   -2    0.1424   -0.2162    0.1441   -0.2219    0.0060    1
    9   -1   -1    6   -0.2017    0.0499   -0.1940    0.0483    0.0078    1
   10    1    1   -2    0.2230   -0.1235    0.2267   -0.1283    0.0061    1
   11    1    1    0    0.5428   -0.6069    0.5314   -0.6143    0.0136    1
   12    0   -1    4   -0.1841   -0.0382   -0.1815   -0.0378    0.0026    1
   13    1    3   -6    0.1952   -0.0074    0.1981   -0.0091    0.0034    1
   14    1    2   -2    0.5273   -0.1438    0.5323   -0.1459    0.0054    1
   15    1   -1    6   -0.3387   -0.2367   -0.3358   -0.2354    0.0032    1
   16    0    1   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3   -2    0.7243   -0.0748    0.7260   -0.0804    0.0058    1
   18    1    2    0    1.0601   -0.4927    1.0655   -0.4953    0.0059    1
   19   -1    3   -6    0.0454    0.0300    0.0407    0.0272    0.0054    1
   20    0    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -1    2   -0.0321   -0.0536   -0.0357   -0.0605    0.0078    1
   22   -1    3   -2    0.3047    0.3345    0.2970    0.3320    0.0081    1
   23   -1    1    0    0.0389    0.2826    0.0342    0.2676    0.0157    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    3   -1    2   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3    1    2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    0    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3    1    2    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1   -2    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -1    6   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -2    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1    0    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    0   -1    4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3   -6    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    6   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    1   -2    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1    3   -2    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    1    2    0    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -1    3   -6    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    2   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    3   -2    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -1    1    0    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.32                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8904    0.8926    1.2583   89.8569   89.9013   89.7530      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8873    0.8929    1.2621   90.0000   90.0000   90.0000      0.0000         0.7031    0.7075
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0194    0.0194    0.0000    0.0000    0.0000      0.0000         0.0108    0.0134
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6154    0.3603   -0.8677)
 a2 = (   -0.9012   -0.0699   -0.6619)
 a3 = (   -0.1881    0.7509    0.1802)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6159    0.3653   -0.8702) (    0.0078    0.0048    0.0054)
 a2 = (   -0.8993   -0.0660   -0.6642) (    0.0237    0.0080    0.0096)
 a3 = (   -0.1884    0.7481    0.1807) (    0.0057    0.0114    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -127.5241   76.8157 -165.8644    0.4550    0.2577    0.3311
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0023    0.0021    0.0116

# Number of computed bands
            345            344
# Figure of merit at the beginning and the end of the refinement
        24.6477        25.7115
# Chi-squares at the beginning and the end of the refinement
    0.0535    0.0169
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    1   -1    6   -0.0139   -0.1762   -0.0133   -0.1793    0.0031    1
    3   -1   -1   -6   -0.0254    0.0861   -0.0241    0.0824    0.0039    1
    4    0   -1    2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1   -1    6    0.1191   -0.5956    0.1201   -0.5972    0.0019    1
    8   -1    1    6    0.1442   -0.2222    0.1441   -0.2219    0.0003    1
    9    1   -3   -2   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10   -1    1    2    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11   -1    0    2    0.5327   -0.6132    0.5314   -0.6143    0.0017    1
   12    1   -2    0   -0.1809   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -3    3    2    0.1981   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    1    2    0.5291   -0.1500    0.5323   -0.1459    0.0052    1
   15    1   -3    2   -0.3359   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3    1    2    0.7277   -0.0817    0.7260   -0.0804    0.0022    1
   18   -1    0    1    1.0549   -0.5128    1.0655   -0.4953    0.0204    1
   19   -3    3   -2    0.0425    0.0285    0.0407    0.0272    0.0022    1
   20   -2    1    0    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21    1   -1    2   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -3    1   -2    0.2961    0.3313    0.2970    0.3320    0.0011    1
   23   -1    0   -2    0.0344    0.2681    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7302   -0.0542   -0.7289   -0.0565    0.0026    1
    2    1   -1    6   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -1   -6   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    0   -1    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    0   -1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -1    6    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1    6    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9    1   -3   -2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    2    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    2    0.5372   -0.6123    0.5314   -0.6143    0.0061    1
   12    1   -2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    3    2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    1    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -3    2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -1    1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -3    1    2    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -1    0    1    1.0597   -0.5048    1.0655   -0.4953    0.0112    1
   19   -3    3   -2    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20   -2    1    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    2   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -3    1   -2    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -1    0   -2    0.0346    0.2668    0.0342    0.2676    0.0010    1

###            No.33                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.4788    1.4364    1.4548   88.0926   89.5898   89.9532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.4807    1.4363    1.4485   90.0000   90.0000   90.0000      0.0000         0.3318    0.9915
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0210    0.0566    0.0000    0.0000    0.0000      0.0000         0.0130    0.0414
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4943   -1.9734   -0.4730)
 a2 = (    0.6645    0.1885   -0.0902)
 a3 = (    0.1032   -0.1290    0.6676)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4955   -1.9647   -0.4722) (    0.0119    0.0042    0.0137)
 a2 = (    0.6642    0.1889   -0.0890) (    0.0100    0.0047    0.0039)
 a3 = (    0.1258   -0.1285    0.6665) (    0.0085    0.0082    0.0250)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -119.3870   15.0998   44.4097    1.0108    0.4301    1.0992
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0001   -0.0028      0.0022    0.0028    0.0406

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7808         6.5011
# Chi-squares at the beginning and the end of the refinement
    0.0500    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -1    1    0   -0.0139   -0.1760   -0.0133   -0.1793    0.0034    1
    3    1    0    1   -0.0243    0.0857   -0.0241    0.0824    0.0033    1
    4   -2    3    3   -0.1878   -0.5894   -0.1976   -0.5890    0.0098    1
    5   -1    0    0    0.0565   -0.2255    0.0566   -0.2258    0.0003    1
    6    2    3    3   -0.1034    0.1184   -0.1046    0.1173    0.0016    1
    7   -1    0    1    0.1255   -0.5918    0.1201   -0.5972    0.0076    1
    8   -1   -1    0    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1    6    3   -0.1937    0.0497   -0.1940    0.0483    0.0014    1
   10   -1   -3    0    0.2263   -0.1281    0.2267   -0.1283    0.0004    1
   11   -2   -3    3    0.5341   -0.5984    0.5314   -0.6143    0.0161    1
   12    0    3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1   -7    0    0.2112   -0.0268    0.1981   -0.0091    0.0220    0
   14   -1   -5    2    0.5983   -0.1281    0.5323   -0.1459    0.0684    0
   15   -1    6    3   -0.3368   -0.2407   -0.3358   -0.2354    0.0054    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -6    3    0.7147   -0.0781    0.7260   -0.0804    0.0116    1
   18   -1   -3    3    1.0337   -0.4846    1.0655   -0.4953    0.0335    1
   19    1   -6    0    0.0109    0.0097    0.0407    0.0272    0.0346    0
   20    0   -3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -1    3    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1   -6    3    0.2953    0.3239    0.2970    0.3320    0.0082    1
   23    2   -3    3    0.0377    0.2656    0.0342    0.2676    0.0041    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7284   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -1    1    0   -0.0136   -0.1774   -0.0133   -0.1793    0.0019    1
    3    1    0    1   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4   -2    3    3   -0.1966   -0.5871   -0.1976   -0.5890    0.0022    1
    5   -1    0    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6    2    3    3   -0.1045    0.1168   -0.1046    0.1173    0.0005    1
    7   -1    0    1    0.1207   -0.5978    0.1201   -0.5972    0.0008    1
    8   -1   -1    0    0.1454   -0.2223    0.1441   -0.2219    0.0014    1
    9    1    6    3   -0.1926    0.0482   -0.1940    0.0483    0.0015    1
   10   -1   -3    0    0.2268   -0.1273    0.2267   -0.1283    0.0010    1
   11   -2   -3    3    0.5363   -0.6125    0.5314   -0.6143    0.0052    1
   12    0    3    1   -0.1810   -0.0376   -0.1815   -0.0378    0.0006    1
   13   -1   -6    0    0.2181   -0.0405    0.1981   -0.0091    0.0372    0
   14   -1   -6    2    0.5450   -0.0741    0.5323   -0.1459    0.0730    0
   15   -1    6    3   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0   -1    0    0.1247    0.0353    0.1256    0.0356    0.0010    1
   17   -1   -6    3    0.7264   -0.0790    0.7260   -0.0804    0.0014    1
   18   -1   -3    3    1.0582   -0.5076    1.0655   -0.4953    0.0144    1
   19    1   -6    0    0.0103    0.0087    0.0407    0.0272    0.0357    0
   20    0   -3    1    0.4408    0.1639    0.4436    0.1639    0.0028    1
   21   -1    3    0   -0.0353   -0.0603   -0.0357   -0.0605    0.0005    1
   22    1   -6    3    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    2   -3    3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.34                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7781    0.9574    1.3425   90.5957   90.0836   89.9992      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7769    0.9538    1.3496   90.0000   90.0000   90.0000      0.0000         0.5757    0.7067
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0208    0.0335    0.0000    0.0000    0.0000      0.0000         0.0143    0.0157
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0318    0.0738    0.7627)
 a2 = (   -0.6106    0.2838    0.7986)
 a3 = (   -0.0911   -0.7134    0.1941)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0345    0.0774    0.7620) (    0.0056    0.0099    0.0078)
 a2 = (   -0.6111    0.2934    0.7999) (    0.0179    0.0090    0.0145)
 a3 = (   -0.0887   -0.7100    0.1926) (    0.0069    0.0181    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   37.8117   74.9331   -7.1233    0.4383    0.3746    0.4412
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0009   -0.0004    0.0043      0.0034    0.0025    0.0117

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.3972         4.8639
# Chi-squares at the beginning and the end of the refinement
    0.1971    0.0733
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2    1    1   -5   -0.0320   -0.1434   -0.0133   -0.1793    0.0405    0
    3    1   -2    6   -0.0219    0.0613   -0.0241    0.0824    0.0213    0
    4    1    1   -2   -0.1995   -0.5900   -0.1976   -0.5890    0.0021    1
    5    0    1   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1    2   -0.1069    0.1198   -0.1046    0.1173    0.0034    1
    7    1    3   -4    0.0717   -0.6221    0.1201   -0.5972    0.0544    0
    8   -1    3   -3    0.1788   -0.2014    0.1441   -0.2219    0.0403    0
    9    3   -2    1   -0.1971    0.0494   -0.1940    0.0483    0.0032    1
   10   -1    2   -1    0.2258   -0.1261    0.2267   -0.1283    0.0024    1
   11    0    2   -1    0.5434   -0.6159    0.5314   -0.6143    0.0120    1
   12    2   -1   -1   -0.1846   -0.0385   -0.1815   -0.0378    0.0032    1
   13   -2    3    0    0.2163   -0.0391    0.1981   -0.0091    0.0351    0
   14   -1    3    0    0.5311   -0.1442    0.5323   -0.1459    0.0021    1
   15    1    0   -1   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16   -1    1    1    0.1223    0.0355    0.1256    0.0356    0.0033    1
   17   -1    4    1    0.7295   -0.0712    0.7260   -0.0804    0.0098    1
   18    0    1    0    1.0754   -0.4999    1.0655   -0.4953    0.0110    1
   19   -2    1    5    0.0353    0.0387    0.0407    0.0272    0.0127    1
   20   -1    2    2    0.4378    0.1677    0.4436    0.1639    0.0070    1
   21    1    0   -3   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    2    5    0.2913    0.3305    0.2970    0.3320    0.0059    1
   23    0    0    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7284   -0.0550   -0.7289   -0.0565    0.0016    1
    2    1    1   -5   -0.0311   -0.1454   -0.0133   -0.1793    0.0383    0
    3    0   -1    6   -0.0004    0.0774   -0.0241    0.0824    0.0243    0
    4    1    1   -2   -0.1963   -0.5885   -0.1976   -0.5890    0.0014    1
    5    0    1   -2    0.0583   -0.2269    0.0566   -0.2258    0.0020    1
    6    1   -1    2   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    1    3   -4    0.0733   -0.6189    0.1201   -0.5972    0.0517    0
    8   -1    3   -3    0.1796   -0.2018    0.1441   -0.2219    0.0408    0
    9    3   -2    1   -0.1933    0.0484   -0.1940    0.0483    0.0007    1
   10   -1    2   -1    0.2260   -0.1270    0.2267   -0.1283    0.0015    1
   11    0    2   -1    0.5363   -0.6129    0.5314   -0.6143    0.0051    1
   12    2   -1   -1   -0.1824   -0.0383   -0.1815   -0.0378    0.0010    1
   13   -2    3    0    0.2169   -0.0406    0.1981   -0.0091    0.0366    0
   14   -1    3    0    0.5282   -0.1480    0.5323   -0.1459    0.0046    1
   15    1    0   -1   -0.3375   -0.2377   -0.3358   -0.2354    0.0028    1
   16   -1    1    1    0.1233    0.0344    0.1256    0.0356    0.0025    1
   17   -1    4    1    0.7265   -0.0789    0.7260   -0.0804    0.0015    1
   18    0    1    0    1.0601   -0.5089    1.0655   -0.4953    0.0146    1
   19   -2    1    5    0.0357    0.0375    0.0407    0.0272    0.0114    1
   20   -1    2    2    0.4398    0.1637    0.4436    0.1639    0.0038    1
   21    1    0   -3   -0.0354   -0.0621   -0.0357   -0.0605    0.0016    1
   22   -1    2    5    0.2937    0.3293    0.2970    0.3320    0.0043    1
   23    0    0    1    0.0342    0.2656    0.0342    0.2676    0.0021    1

###            No.35                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7792    0.9503    1.3505   90.0436   90.2344   90.2340      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7789    0.9512    1.3498   90.0000   90.0000   90.0000      0.0000         0.5770    0.7047
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0194    0.0255    0.0000    0.0000    0.0000      0.0000         0.0109    0.0152
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6501    1.1029    0.0900)
 a2 = (    0.6155   -0.2924   -0.8019)
 a3 = (   -0.4686    0.3186   -0.4766)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6496    1.1038    0.0899) (    0.0077    0.0047    0.0063)
 a2 = (    0.6131   -0.2956   -0.8012) (    0.0156    0.0094    0.0152)
 a3 = (   -0.4708    0.3159   -0.4768) (    0.0119    0.0073    0.0079)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  174.7490  130.0630 -123.8641    0.3700    0.4552    0.5326
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0001   -0.0003    0.0040      0.0026    0.0024    0.0136

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.6653         4.8264
# Chi-squares at the beginning and the end of the refinement
    0.0294    0.0209
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2    2   -1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -3    1   -3   -0.0012    0.0786   -0.0241    0.0824    0.0232    0
    4    3   -2   -1   -0.1967   -0.5921   -0.1976   -0.5890    0.0032    1
    5    1   -1    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    2   -5   -0.1044    0.1171   -0.1046    0.1173    0.0003    1
    7    2   -3    1    0.1699   -0.5693    0.1201   -0.5972    0.0570    0
    8    1   -2    2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1    2   -5   -0.1933    0.0492   -0.1940    0.0483    0.0012    1
   10    0   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1   -4    1    0.5400   -0.6135    0.5314   -0.6143    0.0086    1
   12    2    2   -5   -0.1968   -0.0011   -0.1815   -0.0378    0.0397    0
   13   -1   -2    2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -1   -4    2    0.5188   -0.0902    0.5323   -0.1459    0.0574    0
   15    1    0   -1   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16   -1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -4    1    0.7291   -0.0785    0.7260   -0.0804    0.0036    1
   18    0   -1    0    1.0630   -0.5050    1.0655   -0.4953    0.0100    1
   19   -2   -1    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -2   -3    1    0.4488    0.1254    0.4436    0.1639    0.0388    0
   21    1    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3   -2   -1    0.2956    0.3315    0.2970    0.3320    0.0015    1
   23   -1    0   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7302   -0.0555   -0.7289   -0.0565    0.0016    1
    2    2   -1    1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    1   -3   -0.0013    0.0783   -0.0241    0.0824    0.0232    0
    4    3   -2   -1   -0.1954   -0.5876   -0.1976   -0.5890    0.0026    1
    5    1   -1    1    0.0573   -0.2264    0.0566   -0.2258    0.0010    1
    6   -1    2   -5   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7    2   -3    1    0.1677   -0.5659    0.1201   -0.5972    0.0570    0
    8    1   -2    2    0.1448   -0.2221    0.1441   -0.2219    0.0007    1
    9    1    2   -5   -0.1929    0.0484   -0.1940    0.0483    0.0011    1
   10    0   -1    1    0.2262   -0.1279    0.2267   -0.1283    0.0007    1
   11    1   -4    1    0.5346   -0.6120    0.5314   -0.6143    0.0039    1
   12    2    2   -5   -0.1962   -0.0018   -0.1815   -0.0378    0.0389    0
   13   -1   -2    2    0.1973   -0.0086    0.1981   -0.0091    0.0010    1
   14   -1   -4    2    0.5165   -0.0910    0.5323   -0.1459    0.0571    0
   15    1    0   -1   -0.3371   -0.2374   -0.3358   -0.2354    0.0023    1
   16   -1   -1    1    0.1247    0.0351    0.1256    0.0356    0.0010    1
   17   -1   -4    1    0.7267   -0.0805    0.7260   -0.0804    0.0007    1
   18    0   -1    0    1.0563   -0.5095    1.0655   -0.4953    0.0169    1
   19   -2   -1    1    0.0418    0.0276    0.0407    0.0272    0.0011    1
   20   -2   -3    1    0.4475    0.1243    0.4436    0.1639    0.0398    0
   21    1    0    0   -0.0354   -0.0606   -0.0357   -0.0605    0.0003    1
   22   -3   -2   -1    0.2949    0.3307    0.2970    0.3320    0.0024    1
   23   -1    0   -1    0.0337    0.2669    0.0342    0.2676    0.0009    1

###            No.36                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6974    1.0089    1.4212   89.8100   89.9811   89.7476      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6993    1.0059    1.4217   90.0000   90.0000   90.0000      0.0000         0.4919    0.7076
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0173    0.0362    0.0000    0.0000    0.0000      0.0000         0.0125    0.0146
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7921   -0.4589    1.1036)
 a2 = (    0.2345   -0.9361   -0.2266)
 a3 = (    0.5625    0.0415    0.4207)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7824   -0.4611    1.1047) (    0.0107    0.0069    0.0074)
 a2 = (    0.2369   -0.9391   -0.2242) (    0.0086    0.0159    0.0059)
 a3 = (    0.5644    0.0427    0.4176) (    0.0170    0.0059    0.0074)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  106.2770   53.5849   94.3238    0.3759    0.4660    0.5240
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0036   -0.0011    0.0050      0.0031    0.0026    0.0119

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2901         4.5816
# Chi-squares at the beginning and the end of the refinement
    0.2374    0.1122
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7439   -0.0549   -0.7289   -0.0565    0.0151    1
    2   -1   -4    2   -0.0326   -0.1429   -0.0133   -0.1793    0.0413    0
    3    1    5    1   -0.0137    0.0742   -0.0241    0.0824    0.0132    1
    4    0   -1    1   -0.1997   -0.5952   -0.1976   -0.5890    0.0065    1
    5    0   -1    0    0.0571   -0.2278    0.0566   -0.2258    0.0021    1
    6    0    1    1   -0.1078    0.1210   -0.1046    0.1173    0.0049    1
    7    1   -5    1    0.1850   -0.5625    0.1201   -0.5972    0.0736    0
    8    1   -4   -2    0.1813   -0.2033    0.1441   -0.2219    0.0416    0
    9   -1    2    6   -0.1963    0.0493   -0.1940    0.0483    0.0025    1
   10    1   -2   -2    0.2287   -0.1275    0.2267   -0.1283    0.0022    1
   11    1   -2    0    0.5472   -0.6133    0.5314   -0.6143    0.0158    1
   12   -1    0    4   -0.1827   -0.0375   -0.1815   -0.0378    0.0012    1
   13    2   -1   -4    0.1843    0.0067    0.1981   -0.0091    0.0210    0
   14    1   -1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1   -2    6   -0.3408   -0.2378   -0.3358   -0.2354    0.0056    1
   16    1    0   -2    0.1266    0.0358    0.1256    0.0356    0.0010    1
   17    3   -2   -2    0.7282   -0.0757    0.7260   -0.0804    0.0052    1
   18    1   -1    0    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19    2    3   -3    0.0318    0.0477    0.0407    0.0272    0.0223    0
   20    1    0   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -2    2   -0.0349   -0.0582   -0.0357   -0.0605    0.0025    1
   22    3    2   -2    0.3012    0.3309    0.2970    0.3320    0.0044    1
   23    1    2    0    0.0380    0.2737    0.0342    0.2676    0.0072    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7355   -0.0565   -0.7289   -0.0565    0.0066    1
    2   -1   -4    2   -0.0345   -0.1393   -0.0133   -0.1793    0.0453    0
    3    1    5    1   -0.0178    0.0742   -0.0241    0.0824    0.0103    1
    4    0   -1    1   -0.1989   -0.5864   -0.1976   -0.5890    0.0028    1
    5    0   -1    0    0.0528   -0.2245    0.0566   -0.2258    0.0040    1
    6    0    1    1   -0.1102    0.1181   -0.1046    0.1173    0.0057    1
    7    1   -5    1    0.1785   -0.5564    0.1201   -0.5972    0.0712    0
    8    1   -4   -2    0.1760   -0.2028    0.1441   -0.2219    0.0372    0
    9   -1    2    6   -0.1956    0.0469   -0.1940    0.0483    0.0022    1
   10    1   -2   -2    0.2248   -0.1286    0.2267   -0.1283    0.0020    1
   11    1   -2    0    0.5377   -0.6118    0.5314   -0.6143    0.0068    1
   12   -1    0    4   -0.1810   -0.0380   -0.1815   -0.0378    0.0006    1
   13    2   -1   -4    0.1833    0.0059    0.1981   -0.0091    0.0212    0
   14    1   -1   -1    0.5288   -0.1475    0.5323   -0.1459    0.0038    1
   15   -1   -2    6   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16    1    0   -2    0.1261    0.0359    0.1256    0.0356    0.0006    1
   17    3   -2   -2    0.7260   -0.0768    0.7260   -0.0804    0.0036    1
   18    1   -1    0    1.0598   -0.4998    1.0655   -0.4953    0.0073    1
   19    2    1   -4    0.0626    0.0363    0.0407    0.0272    0.0236    0
   20    1    0   -1    0.4417    0.1654    0.4436    0.1639    0.0024    1
   21   -1   -2    2   -0.0358   -0.0555   -0.0357   -0.0605    0.0051    1
   22    3    2   -2    0.2965    0.3333    0.2970    0.3320    0.0014    1
   23    1    2    0    0.0326    0.2732    0.0342    0.2676    0.0058    1

###            No.38                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6940    1.0114    1.4248   90.6447   90.3170   90.0845      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6993    1.0059    1.4217   90.0000   90.0000   90.0000      0.0000         0.4919    0.7076
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0173    0.0362    0.0000    0.0000    0.0000      0.0000         0.0125    0.0146
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7991    0.4578   -1.1083)
 a2 = (    0.2288   -0.9356   -0.2235)
 a3 = (   -0.5572   -0.0432   -0.4246)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7824    0.4611   -1.1047) (    0.0107    0.0069    0.0074)
 a2 = (    0.2369   -0.9391   -0.2242) (    0.0086    0.0159    0.0059)
 a3 = (   -0.5644   -0.0427   -0.4176) (    0.0170    0.0059    0.0074)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -106.2770  126.4151  -85.6762    0.3759    0.4660    0.5240
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0036   -0.0011    0.0050      0.0031    0.0026    0.0119

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7803         4.5816
# Chi-squares at the beginning and the end of the refinement
    0.3232    0.1122
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7575   -0.0587   -0.7289   -0.0565    0.0287    1
    2    1   -4   -2   -0.0327   -0.1405   -0.0133   -0.1793    0.0434    0
    3   -1    5   -1   -0.0140    0.0791   -0.0241    0.0824    0.0106    1
    4    0   -1   -1   -0.1997   -0.5952   -0.1976   -0.5890    0.0065    1
    5    0   -1    0    0.0551   -0.2254    0.0566   -0.2258    0.0015    1
    6    0    1   -1   -0.1118    0.1269   -0.1046    0.1173    0.0120    1
    7   -1   -5   -1    0.1828   -0.5622    0.1201   -0.5972    0.0717    0
    8   -1   -4    2    0.1789   -0.2023    0.1441   -0.2219    0.0400    0
    9    1    2   -6   -0.2030    0.0509   -0.1940    0.0483    0.0093    1
   10   -1   -2    2    0.2267   -0.1269    0.2267   -0.1283    0.0014    1
   11   -1   -2    0    0.5464   -0.6146    0.5314   -0.6143    0.0150    1
   12    1    0   -4   -0.1868   -0.0389   -0.1815   -0.0378    0.0054    1
   13   -2   -1    4    0.1826    0.0069    0.1981   -0.0091    0.0223    0
   14   -1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    1   -2   -6   -0.3428   -0.2408   -0.3358   -0.2354    0.0089    1
   16   -1    0    2    0.1253    0.0356    0.1256    0.0356    0.0003    1
   17   -3   -2    2    0.7285   -0.0755    0.7260   -0.0804    0.0055    1
   18   -1   -1    0    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19   -2    1    4    0.0622    0.0350    0.0407    0.0272    0.0228    0
   20   -1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -2   -2   -0.0344   -0.0571   -0.0357   -0.0605    0.0037    1
   22   -3    2    2    0.3034    0.3309    0.2970    0.3320    0.0065    1
   23   -1    2    0    0.0408    0.2780    0.0342    0.2676    0.0123    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7355   -0.0565   -0.7289   -0.0565    0.0066    1
    2    1   -4   -2   -0.0345   -0.1393   -0.0133   -0.1793    0.0453    0
    3   -1    5   -1   -0.0178    0.0742   -0.0241    0.0824    0.0103    1
    4    0   -1   -1   -0.1989   -0.5864   -0.1976   -0.5890    0.0028    1
    5    0   -1    0    0.0528   -0.2245    0.0566   -0.2258    0.0040    1
    6    0    1   -1   -0.1102    0.1181   -0.1046    0.1173    0.0057    1
    7   -1   -5   -1    0.1785   -0.5564    0.1201   -0.5972    0.0712    0
    8   -1   -4    2    0.1760   -0.2028    0.1441   -0.2219    0.0372    0
    9    1    2   -6   -0.1956    0.0469   -0.1940    0.0483    0.0022    1
   10   -1   -2    2    0.2248   -0.1286    0.2267   -0.1283    0.0020    1
   11   -1   -2    0    0.5377   -0.6118    0.5314   -0.6143    0.0068    1
   12    1    0   -4   -0.1810   -0.0380   -0.1815   -0.0378    0.0006    1
   13   -2   -1    4    0.1833    0.0059    0.1981   -0.0091    0.0212    0
   14   -1   -1    1    0.5288   -0.1475    0.5323   -0.1459    0.0038    1
   15    1   -2   -6   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16   -1    0    2    0.1261    0.0359    0.1256    0.0356    0.0006    1
   17   -3   -2    2    0.7260   -0.0768    0.7260   -0.0804    0.0036    1
   18   -1   -1    0    1.0598   -0.4998    1.0655   -0.4953    0.0073    1
   19   -2    1    4    0.0626    0.0363    0.0407    0.0272    0.0236    0
   20   -1    0    1    0.4417    0.1654    0.4436    0.1639    0.0024    1
   21    1   -2   -2   -0.0358   -0.0555   -0.0357   -0.0605    0.0051    1
   22   -3    2    2    0.2965    0.3333    0.2970    0.3320    0.0014    1
   23   -1    2    0    0.0326    0.2732    0.0342    0.2676    0.0058    1

###            No.41                ###
# Bravais type
 Orthorhombic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7027    1.0006    1.4222   89.8898   89.9296   89.8649      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7078    0.9967    1.4176   90.0000   90.0000   90.0000      0.0000         0.4993    0.7031
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0180    0.0335    0.0000    0.0000    0.0000      0.0000         0.0118    0.0158
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0527    0.7702    1.1954)
 a2 = (   -0.9534   -0.2704    0.1294)
 a3 = (    0.2104   -0.5602    0.3692)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0553    0.7572    1.1916) (    0.0076    0.0084    0.0054)
 a2 = (   -0.9571   -0.2722    0.1286) (    0.0177    0.0076    0.0054)
 a3 = (    0.2099   -0.5640    0.3681) (    0.0073    0.0153    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   81.3602   58.5456   20.4110    0.3402    0.4200    0.4654
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003    0.0000    0.0018      0.0028    0.0038    0.0150

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2898         3.7773
# Chi-squares at the beginning and the end of the refinement
    0.1042    0.0220
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -2    2   -0.7312   -0.0613   -0.7289   -0.0565    0.0053    1
    2    2   -1   -4   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3   -1    0    4   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4    3   -2   -2   -0.1960   -0.5864   -0.1976   -0.5890    0.0031    1
    5    1    0   -2    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6   -1   -2    6   -0.1054    0.1174   -0.1046    0.1173    0.0007    1
    7    1    0   -1    0.1182   -0.5977    0.1201   -0.5972    0.0020    1
    8    2    1   -4    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9    0   -1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1    2   -2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11    3    2   -2    0.5314   -0.6179    0.5314   -0.6143    0.0036    1
   12    1   -5    1   -0.1693   -0.0537   -0.1815   -0.0378    0.0201    0
   13    1    4   -2    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14    2    4   -1    0.5796   -0.1430    0.5323   -0.1459    0.0474    0
   15    1   -2    0   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    2    0    0.7321   -0.0857    0.7260   -0.0804    0.0081    1
   18    1    1    0    1.0561   -0.5247    1.0655   -0.4953    0.0309    1
   19    0    4   -1    0.0362    0.0047    0.0407    0.0272    0.0230    0
   20    1    5    1    0.4520    0.1120    0.4436    0.1639    0.0525    0
   21    1   -2   -2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    1    1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1    2    6    0.0341    0.2693    0.0342    0.2676    0.0017    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -2    2   -0.7274   -0.0554   -0.7289   -0.0565    0.0019    1
    2    2   -1   -4   -0.0001   -0.1931   -0.0133   -0.1793    0.0191    0
    3   -1    0    4   -0.0251    0.0855   -0.0241    0.0824    0.0033    1
    4    3   -2   -2   -0.1974   -0.5867   -0.1976   -0.5890    0.0022    1
    5    1    0   -2    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1   -2    6   -0.1046    0.1168   -0.1046    0.1173    0.0005    1
    7    1    0   -1    0.1203   -0.5981    0.1201   -0.5972    0.0009    1
    8    2    1   -4    0.1249   -0.2286    0.1441   -0.2219    0.0203    0
    9    0   -1    1   -0.1926    0.0482   -0.1940    0.0483    0.0015    1
   10    1    2   -2    0.2267   -0.1270    0.2267   -0.1283    0.0013    1
   11    3    2   -2    0.5367   -0.6127    0.5314   -0.6143    0.0055    1
   12    1   -4    0   -0.1443   -0.0707   -0.1815   -0.0378    0.0497    0
   13    1    4   -2    0.2177   -0.0402    0.1981   -0.0091    0.0368    0
   14    2    4   -1    0.5761   -0.1373    0.5323   -0.1459    0.0446    0
   15    1   -2    0   -0.3364   -0.2357   -0.3358   -0.2354    0.0007    1
   16    0    1    0    0.1243    0.0353    0.1256    0.0356    0.0013    1
   17    1    2    0    0.7261   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1    0    1.0591   -0.5071    1.0655   -0.4953    0.0135    1
   19    0    5   -1    0.0538    0.0086    0.0407    0.0272    0.0228    0
   20    1    4    1    0.5322    0.1297    0.4436    0.1639    0.0950    0
   21    1   -2   -2   -0.0354   -0.0603   -0.0357   -0.0605    0.0004    1
   22    0    1    1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -1    2    6    0.0345    0.2671    0.0342    0.2676    0.0006    1

###                                ###
### Candidates for   Monoclinic(C) ###
###                                ###

###            No.1                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2588    1.8133    1.0750   90.9404  125.3658   90.7449      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2607    1.7808    1.0921   90.0000  125.3401   90.0000      0.0000         1.1544    1.6306
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0115    0.0349    0.0177    0.0000    0.7382    0.0000      0.0000         0.0182    0.0393
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2597    0.7826    0.5194)
 a2 = (   -0.2869   -0.1760    0.4372)
 a3 = (    0.9185    0.0712    0.6735)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2633    0.7831    0.5128) (    0.0103    0.0047    0.0048)
 a2 = (   -0.3061   -0.1815    0.4344) (    0.0096    0.0050    0.0066)
 a3 = (    0.9023    0.0679    0.6642) (    0.0197    0.0111    0.0073)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   34.2846   69.4239   57.9441    0.3973    0.6433    0.5237
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0038      0.0023    0.0022    0.0131

# Number of computed bands
            400             74
# Figure of merit at the beginning and the end of the refinement
         3.3278        55.1371
# Chi-squares at the beginning and the end of the refinement
    0.5175    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -1   -1   -0.0109   -0.1817   -0.0133   -0.1793    0.0034    1
    3   -3    1    2   -0.0278    0.0860   -0.0241    0.0824    0.0051    1
    4    2    0    0   -0.1984   -0.5978   -0.1976   -0.5890    0.0089    1
    5    2    0   -1    0.0610   -0.2282    0.0566   -0.2258    0.0050    1
    6   -2    0    2   -0.1080    0.1166   -0.1046    0.1173    0.0035    1
    7    3    1   -1    0.1226   -0.6044    0.1201   -0.5972    0.0077    1
    8    3    1   -2    0.1471   -0.2220    0.1441   -0.2219    0.0030    1
    9   -1   -1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    2   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0   -2    2   -0.1881   -0.0386   -0.1815   -0.0378    0.0066    1
   13    1    3   -2    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    2    4   -2    0.5386   -0.1570    0.5323   -0.1459    0.0128    1
   15    1   -1    1   -0.3452   -0.2427   -0.3358   -0.2354    0.0119    1
   16    0    2   -1    0.1246    0.0354    0.1256    0.0356    0.0010    1
   17    1    3   -1    0.7509   -0.0906    0.7260   -0.0804    0.0269    1
   18    3    7   -2    0.9695   -0.3077    1.0655   -0.4953    0.2107    0
   19   -1    3   -1    0.0399    0.0271    0.0407    0.0272    0.0008    1
   20    0    4   -1    0.4563    0.1712    0.4436    0.1639    0.0147    1
   21    1   -1    0   -0.0369   -0.0647   -0.0357   -0.0605    0.0043    1
   22   -1    3    0    0.2986    0.3493    0.2970    0.3320    0.0174    1
   23   -2    2    1    0.0259    0.2734    0.0342    0.2676    0.0101    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7287   -0.0553   -0.7289   -0.0565    0.0012    1
    2    3   -1   -1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -3    1    2   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0    0   -0.1966   -0.5865   -0.1976   -0.5890    0.0027    1
    5    2    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    2   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7    3    1   -1    0.1195   -0.5975    0.1201   -0.5972    0.0007    1
    8    3    1   -2    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9   -1   -1    2   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10    1    1   -1    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    2   -1    0.5350   -0.6147    0.5314   -0.6143    0.0036    1
   12    0   -2    2   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13    1    3   -2    0.1976   -0.0086    0.1981   -0.0091    0.0007    1
   14    2    4   -2    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15    1   -1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    2   -1    0.1249    0.0350    0.1256    0.0356    0.0009    1
   17    1    3   -1    0.7285   -0.0801    0.7260   -0.0804    0.0025    1
   18    2    4   -1    1.0604   -0.5119    1.0655   -0.4953    0.0174    1
   19   -1    3   -1    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    0    4   -1    0.4417    0.1643    0.4436    0.1639    0.0019    1
   21    1   -1    0   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1    3    0    0.2949    0.3305    0.2970    0.3320    0.0025    1
   23   -2    2    1    0.0344    0.2668    0.0342    0.2676    0.0009    1

###            No.2                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2652    1.7949    1.0832   90.7565  125.6002   89.8546      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2607    1.7808    1.0905   90.0000  125.2228   90.0000      0.0000         1.1560    1.6330
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0129    0.0378    0.0162    0.0000    0.8302    0.0000      0.0000         0.0166    0.0363
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6445    0.7110   -0.1551)
 a2 = (    0.2965    0.1783   -0.4368)
 a3 = (   -0.9139   -0.0708   -0.6702)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6391    0.7152   -0.1514) (    0.0089    0.0083    0.0055)
 a2 = (    0.3061    0.1815   -0.4344) (    0.0104    0.0045    0.0073)
 a3 = (   -0.9023   -0.0679   -0.6642) (    0.0166    0.0118    0.0099)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -168.6032  127.8985  -41.1596    0.4057    0.5479    0.7375
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0038      0.0023    0.0022    0.0131

# Number of computed bands
            400             74
# Figure of merit at the beginning and the end of the refinement
         7.9763        55.1371
# Chi-squares at the beginning and the end of the refinement
    0.2069    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1   -2   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -3   -1    1   -0.0271    0.0891   -0.0241    0.0824    0.0073    1
    4    2    0   -2   -0.2029   -0.5889   -0.1976   -0.5890    0.0053    1
    5    2    0   -1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6   -2    0    0   -0.1085    0.1197   -0.1046    0.1173    0.0046    1
    7    3   -1   -2    0.1158   -0.6036    0.1201   -0.5972    0.0077    1
    8    3   -1   -1    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9   -1    1   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -2   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    2   -2   -0.1850   -0.0381   -0.1815   -0.0378    0.0035    1
   13    1   -3    1    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14    2   -4    0    0.5366   -0.1537    0.5323   -0.1459    0.0088    1
   15    1    1   -2   -0.3405   -0.2372   -0.3358   -0.2354    0.0051    1
   16    0   -2    1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17    1   -3    0    0.7433   -0.0854    0.7260   -0.0804    0.0180    1
   18    2   -4   -1    1.0803   -0.5396    1.0655   -0.4953    0.0468    0
   19   -1   -3    2    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20    0   -4    1    0.4501    0.1681    0.4436    0.1639    0.0078    1
   21    1    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3    1    0.2995    0.3403    0.2970    0.3320    0.0087    1
   23   -2   -2    1    0.0323    0.2739    0.0342    0.2676    0.0065    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7287   -0.0553   -0.7289   -0.0565    0.0012    1
    2    3    1   -2   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -3   -1    1   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0   -2   -0.1966   -0.5865   -0.1976   -0.5890    0.0027    1
    5    2    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    0   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7    3   -1   -2    0.1195   -0.5975    0.1201   -0.5972    0.0007    1
    8    3   -1   -1    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9   -1    1   -1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10    1   -1    0    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -2   -1    0.5350   -0.6147    0.5314   -0.6143    0.0036    1
   12    0    2   -2   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13    1   -3    1    0.1976   -0.0086    0.1981   -0.0091    0.0007    1
   14    2   -4    0    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15    1    1   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -2    1    0.1249    0.0350    0.1256    0.0356    0.0009    1
   17    1   -3    0    0.7285   -0.0801    0.7260   -0.0804    0.0025    1
   18    2   -4   -1    1.0604   -0.5119    1.0655   -0.4953    0.0174    1
   19   -1   -3    2    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    0   -4    1    0.4417    0.1643    0.4436    0.1639    0.0019    1
   21    1    1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1   -3    1    0.2949    0.3305    0.2970    0.3320    0.0025    1
   23   -2   -2    1    0.0344    0.2668    0.0342    0.2676    0.0009    1

###            No.3                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2453    1.7650    1.1020   91.5114  124.2886   90.1270      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2607    1.7808    1.0905   90.0000  125.2228   90.0000      0.0000         1.1560    1.6330
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0129    0.0378    0.0162    0.0000    0.8302    0.0000      0.0000         0.0166    0.0363
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6328   -0.7242    0.1420)
 a2 = (    0.3234    0.1829   -0.4282)
 a3 = (    0.8845    0.0686    0.6486)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6391   -0.7152    0.1514) (    0.0089    0.0083    0.0055)
 a2 = (    0.3061    0.1815   -0.4344) (    0.0104    0.0045    0.0073)
 a3 = (    0.9023    0.0679    0.6642) (    0.0166    0.0118    0.0099)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  168.6032   52.1015  138.8404    0.4057    0.5479    0.7375
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0038      0.0023    0.0022    0.0131

# Number of computed bands
            400             75
# Figure of merit at the beginning and the end of the refinement
         5.4164        54.7683
# Chi-squares at the beginning and the end of the refinement
    0.6038    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    2   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    3   -1   -1   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4   -2    0    2   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5   -2    0    1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2    0    0   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -3   -1    2    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -3   -1    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1    1    1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -2    1    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    0    2    2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1   -3   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2   -4    0    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15   -1    1    2   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0   -2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3    0    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -2   -4    1    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19    1   -3   -2    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -4   -1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1    1    1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1   -3   -1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23    2   -2   -1    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7287   -0.0553   -0.7289   -0.0565    0.0012    1
    2   -3    1    2   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3    3   -1   -1   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0    2   -0.1966   -0.5865   -0.1976   -0.5890    0.0027    1
    5   -2    0    1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0    0   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7   -3   -1    2    0.1195   -0.5975    0.1201   -0.5972    0.0007    1
    8   -3   -1    1    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9    1    1    1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10   -1   -1    0    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2   -2    1    0.5350   -0.6147    0.5314   -0.6143    0.0036    1
   12    0    2    2   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13   -1   -3   -1    0.1976   -0.0086    0.1981   -0.0091    0.0007    1
   14   -2   -4    0    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15   -1    1    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -2   -1    0.1249    0.0350    0.1256    0.0356    0.0009    1
   17   -1   -3    0    0.7285   -0.0801    0.7260   -0.0804    0.0025    1
   18   -2   -4    1    1.0604   -0.5119    1.0655   -0.4953    0.0174    1
   19    1   -3   -2    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    0   -4   -1    0.4417    0.1643    0.4436    0.1639    0.0019    1
   21   -1    1    1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    1   -3   -1    0.2949    0.3305    0.2970    0.3320    0.0025    1
   23    2   -2   -1    0.0344    0.2668    0.0342    0.2676    0.0009    1

###            No.7                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2425    1.7816    1.0834   90.0742  123.4636   91.2345      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2631    1.7801    1.0905   90.0000  125.3478   90.0000      0.0000         1.1582    1.6324
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0311    0.0504    0.0226    0.0000    1.9895    0.0000      0.0000         0.0325    0.0392
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1009    0.6197   -0.7329)
 a2 = (   -0.4728    0.2677    0.1415)
 a3 = (    0.5466    0.9586    0.0821)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1398    0.6300   -0.7250) (    0.0209    0.0148    0.0167)
 a2 = (   -0.4733    0.2676    0.1413) (    0.0140    0.0090    0.0033)
 a3 = (    0.5696    0.9661    0.0786) (    0.0175    0.0272    0.0074)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -71.3951   52.0131  138.8153    0.3928    1.7039    0.6203
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0004      0.0024    0.0024    0.0461

# Number of computed bands
            400             83
# Figure of merit at the beginning and the end of the refinement
         3.3278        52.2148
# Chi-squares at the beginning and the end of the refinement
    1.1526    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    2    2   -0.0109   -0.1817   -0.0133   -0.1793    0.0034    1
    3   -1   -3   -1   -0.0278    0.0860   -0.0241    0.0824    0.0051    1
    4   -1    1    2   -0.1984   -0.5978   -0.1976   -0.5890    0.0089    1
    5    0    2    1    0.0610   -0.2282    0.0566   -0.2258    0.0050    1
    6   -1   -3    0   -0.1080    0.1166   -0.1046    0.1173    0.0035    1
    7   -1    3    2    0.1226   -0.6044    0.1201   -0.5972    0.0077    1
    8    0    4    1    0.1471   -0.2220    0.1441   -0.2219    0.0030    1
    9   -1   -3    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1   -3    2   -0.1881   -0.0386   -0.1815   -0.0378    0.0066    1
   13    0    4   -1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -1    5    0    0.5386   -0.1570    0.5323   -0.1459    0.0128    1
   15   -1   -1    2   -0.3452   -0.2427   -0.3358   -0.2354    0.0119    1
   16    0    2   -1    0.1246    0.0354    0.1256    0.0356    0.0010    1
   17   -1    3    0    0.7509   -0.0906    0.7260   -0.0804    0.0269    1
   18   -3    7    1    0.9695   -0.3077    1.0655   -0.4953    0.2107    0
   19    0    2   -2    0.0399    0.0271    0.0407    0.0272    0.0008    1
   20   -1    3   -1    0.4563    0.1712    0.4436    0.1639    0.0147    1
   21    0    0    1   -0.0369   -0.0647   -0.0357   -0.0605    0.0043    1
   22   -1    1   -1    0.2986    0.3493    0.2970    0.3320    0.0174    1
   23   -1   -1   -1    0.0259    0.2734    0.0342    0.2676    0.0101    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7290   -0.0556   -0.7289   -0.0565    0.0009    1
    2    0    2    2   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -1   -3   -1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -1    1    2   -0.1961   -0.5866   -0.1976   -0.5890    0.0028    1
    5    0    2    1    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6   -1   -3    0   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1    3    2    0.1197   -0.5971    0.1201   -0.5972    0.0004    1
    8    0    4    1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -3    1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0    2    0    0.2267   -0.1282    0.2267   -0.1283    0.0002    1
   11   -1    3    1    0.5343   -0.6143    0.5314   -0.6143    0.0029    1
   12   -1   -3    2   -0.1814   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0    4   -1    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14   -1    5    0    0.5295   -0.1497    0.5323   -0.1459    0.0047    1
   15   -1   -1    2   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0    2   -1    0.1249    0.0351    0.1256    0.0356    0.0008    1
   17   -1    3    0    0.7283   -0.0808    0.7260   -0.0804    0.0023    1
   18   -2    4    1    1.0587   -0.5127    1.0655   -0.4953    0.0187    1
   19    0    2   -2    0.0419    0.0275    0.0407    0.0272    0.0012    1
   20   -1    3   -1    0.4419    0.1642    0.4436    0.1639    0.0017    1
   21    0    0    1   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22   -1    1   -1    0.2950    0.3306    0.2970    0.3320    0.0024    1
   23   -1   -1   -1    0.0342    0.2666    0.0342    0.2676    0.0010    1

###            No.10                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2561    1.7666    1.0865   90.9180  123.9251   90.0031      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7797    1.0920   90.0000  125.3698   90.0000      0.0000         1.1558    1.6298
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0176    0.2269    0.1257    0.0000    1.1286    0.0000      0.0000         0.1389    0.0337
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3046    0.1077    0.9035)
 a2 = (    0.2778    0.4916    0.0416)
 a3 = (   -0.9343    0.5289    0.2797)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3287    0.1202    0.9065) (    0.0342    0.0270    0.0159)
 a2 = (    0.2847    0.4829    0.0392) (    0.0356    0.0623    0.0029)
 a3 = (   -0.9462    0.5348    0.2829) (    0.1214    0.0717    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   85.7199  110.6929 -122.0371    0.4047    2.7198    0.3956
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0011      0.0024    0.0024    0.1452

# Number of computed bands
            400             85
# Figure of merit at the beginning and the end of the refinement
         3.3930        52.0020
# Chi-squares at the beginning and the end of the refinement
    0.3878    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    4    1   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    1   -3   -2   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4    1    3    0   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    2    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1   -2   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    1    3    1    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    0    2    2    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9    1    1   -2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    3   -2   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    0   -2    2    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    1   -1    2    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    1    3   -1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    0   -2    1    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    1   -1    1    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    3   -1    2    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19    0   -4    1    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    1   -3    1    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    0    2    0   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22    1   -3    0    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    1   -3   -1    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7294   -0.0555   -0.7289   -0.0565    0.0012    1
    2    0    4    1   -0.0134   -0.1774   -0.0133   -0.1793    0.0020    1
    3    1   -3   -2   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    1    3    0   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5    0    2    1    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -1   -2   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    1    3    1    0.1198   -0.5971    0.1201   -0.5972    0.0003    1
    8    0    2    2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    1    1   -2   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0    1    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11    1    1    1    0.5345   -0.6141    0.5314   -0.6143    0.0031    1
   12    1    3   -2   -0.1813   -0.0378   -0.1815   -0.0378    0.0003    1
   13    0   -2    2    0.1978   -0.0086    0.1981   -0.0091    0.0006    1
   14    1   -1    2    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15    1    3   -1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0   -2    1    0.1250    0.0351    0.1256    0.0356    0.0007    1
   17    1   -1    1    0.7282   -0.0806    0.7260   -0.0804    0.0022    1
   18    2    0    1    1.0586   -0.5119    1.0655   -0.4953    0.0179    1
   19    0   -4    1    0.0420    0.0276    0.0407    0.0272    0.0013    1
   20    1   -3    1    0.4419    0.1643    0.4436    0.1639    0.0017    1
   21    0    2    0   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1   -3    0    0.2950    0.3305    0.2970    0.3320    0.0025    1
   23    1   -3   -1    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.11                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2890    1.7620    1.0812   89.2238  125.4382   91.3837      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2631    1.7801    1.0913   90.0000  125.4013   90.0000      0.0000         1.1575    1.6313
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0181    0.0669    0.0381    0.0000    1.1579    0.0000      0.0000         0.0460    0.0310
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4064   -0.3392   -0.7917)
 a2 = (    0.4781   -0.2707   -0.1431)
 a3 = (   -0.5751   -0.9756   -0.0784)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4298   -0.3361   -0.8036) (    0.0051    0.0189    0.0092)
 a2 = (    0.4733   -0.2676   -0.1413) (    0.0184    0.0115    0.0031)
 a3 = (   -0.5696   -0.9661   -0.0786) (    0.0234    0.0390    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -106.9055   59.8497  -20.7998    0.4401    1.2279    0.4333
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0004      0.0024    0.0024    0.0461

# Number of computed bands
            400             84
# Figure of merit at the beginning and the end of the refinement
         5.4164        51.9030
# Chi-squares at the beginning and the end of the refinement
    0.7924    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -2   -2   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -1    3    2   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4   -1   -1   -1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    0   -2   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -1    3    1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -1   -3   -1    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8    0   -4   -1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    3    0   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -3    0    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12   -1    3   -1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    0   -4    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -5    1    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15   -1    1   -1   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0   -2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3    1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -2   -4    1    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19    0   -2    2    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -1   -3    2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    0    0   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1    2    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -1    1    2    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7290   -0.0556   -0.7289   -0.0565    0.0009    1
    2    0   -2   -2   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -1    3    2   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -1   -1   -1   -0.1961   -0.5866   -0.1976   -0.5890    0.0028    1
    5    0   -2   -1    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6   -1    3    1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1   -3   -1    0.1197   -0.5971    0.1201   -0.5972    0.0004    1
    8    0   -4   -1    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1    3    0   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0   -2    0    0.2267   -0.1282    0.2267   -0.1283    0.0002    1
   11   -1   -3    0    0.5343   -0.6143    0.5314   -0.6143    0.0029    1
   12   -1    3   -1   -0.1814   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0   -4    1    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14   -1   -5    1    0.5295   -0.1497    0.5323   -0.1459    0.0047    1
   15   -1    1   -1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0   -2    1    0.1249    0.0351    0.1256    0.0356    0.0008    1
   17   -1   -3    1    0.7283   -0.0808    0.7260   -0.0804    0.0023    1
   18   -2   -4    1    1.0587   -0.5127    1.0655   -0.4953    0.0187    1
   19    0   -2    2    0.0419    0.0275    0.0407    0.0272    0.0012    1
   20   -1   -3    2    0.4419    0.1642    0.4436    0.1639    0.0017    1
   21    0    0   -1   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22   -1   -1    2    0.2950    0.3306    0.2970    0.3320    0.0024    1
   23   -1    1    2    0.0342    0.2666    0.0342    0.2676    0.0010    1

###            No.17                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2890    1.7621    1.0789   89.3651  125.2839   91.1444      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7797    1.0908   90.0000  125.2812   90.0000      0.0000         1.1571    1.6316
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0991    0.1021    0.0409    0.0000    6.3583    0.0000      0.0000         0.0584    0.1409
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5970   -0.4193    0.6094)
 a2 = (   -0.2875   -0.4878   -0.0392)
 a3 = (    0.9562   -0.5413   -0.2862)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6174   -0.4147    0.6236) (    0.0451    0.0165    0.0551)
 a2 = (   -0.2847   -0.4829   -0.0392) (    0.0160    0.0284    0.0029)
 a3 = (    0.9462   -0.5348   -0.2829) (    0.0549    0.0344    0.0272)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   96.2019  139.7393   64.2182    0.3894    4.2842    0.5903
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0011      0.0024    0.0024    0.1452

# Number of computed bands
            400             87
# Figure of merit at the beginning and the end of the refinement
         5.4164        51.4008
# Chi-squares at the beginning and the end of the refinement
    0.4347    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -4   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    1    3    1   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    1   -3   -1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    0   -2   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1    1    1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7    1   -3   -2    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8    0   -2   -2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1   -1    1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1   -2    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    1   -3    1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    0    2   -2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1    1   -3    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    1   -3    0   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0    2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1   -2    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18    2    0   -3    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19    0    4   -1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    1    3   -2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    0   -2    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1    3   -1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23    1    3    0    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7294   -0.0555   -0.7289   -0.0565    0.0012    1
    2    0   -4   -1   -0.0134   -0.1774   -0.0133   -0.1793    0.0020    1
    3    1    3    1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    1   -3   -1   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5    0   -2   -1    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    1    1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    1   -3   -2    0.1198   -0.5971    0.1201   -0.5972    0.0003    1
    8    0   -2   -2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    1   -1    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    0    0   -1    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11    1   -1   -2    0.5345   -0.6141    0.5314   -0.6143    0.0031    1
   12    1   -3    1   -0.1813   -0.0378   -0.1815   -0.0378    0.0003    1
   13    0    2   -2    0.1978   -0.0086    0.1981   -0.0091    0.0006    1
   14    1    1   -3    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15    1   -3    0   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    0    2   -1    0.1250    0.0351    0.1256    0.0356    0.0007    1
   17    1    1   -2    0.7282   -0.0806    0.7260   -0.0804    0.0022    1
   18    2    0   -3    1.0586   -0.5119    1.0655   -0.4953    0.0179    1
   19    0    4   -1    0.0420    0.0276    0.0407    0.0272    0.0013    1
   20    1    3   -2    0.4419    0.1643    0.4436    0.1639    0.0017    1
   21    0   -2    0   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1    3   -1    0.2950    0.3305    0.2970    0.3320    0.0025    1
   23    1    3    0    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.19                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2744    1.7873    1.0838   91.1147  125.8631   88.4833      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2587    1.7805    1.0919   90.0000  125.1857   90.0000      0.0000         1.1527    1.6306
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0116    0.0353    0.0222    0.0000    0.7464    0.0000      0.0000         0.0196    0.0334
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9209    0.2293   -0.1929)
 a2 = (   -0.0134    0.2996    0.4725)
 a3 = (   -0.3519    0.9129   -0.5823)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9245    0.2326   -0.1903) (    0.0028    0.0090    0.0052)
 a2 = (   -0.0217    0.3013    0.4735) (    0.0029    0.0078    0.0090)
 a3 = (   -0.3331    0.8956   -0.5852) (    0.0127    0.0208    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.0766  120.0651  159.2413    0.3525    0.4677    0.5739
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0021    0.0024    0.0155

# Number of computed bands
            400             89
# Figure of merit at the beginning and the end of the refinement
         3.3930        51.3206
# Chi-squares at the beginning and the end of the refinement
    0.4202    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    3    2   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    0   -2   -2   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4   -1    3    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    2    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1   -1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    0    4    1    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    1    3    1    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9   -2    0    0   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3    0    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3    1    1   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    3    1   -1    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    3    3   -1    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15   -2    2    1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    2    0   -1    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    2    2   -1    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    4    6   -2    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19    3   -1   -2    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    3    1   -2    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21   -1    1    1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22    2    0   -2    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    1   -1   -2    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -1    3    2   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    0   -2   -2   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1    3    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    0    2    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1   -1   -1   -0.1043    0.1167   -0.1046    0.1173    0.0006    1
    7    0    4    1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    1    3    1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -2    0    0   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1    1    0    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1    3    0    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -3    1    1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    3    1   -1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    3    3   -1    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -2    2    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    2    0   -1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    2    2   -1    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    2    4   -1    1.0587   -0.5120    1.0655   -0.4953    0.0180    1
   19    3   -1   -2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    3    1   -2    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21   -1    1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2    0   -2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    1   -1   -2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.21                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2666    1.7747    1.0857   88.9114  124.9480   90.7167      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2587    1.7805    1.0921   90.0000  125.1979   90.0000      0.0000         1.1525    1.6304
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0152    0.0338    0.0186    0.0000    0.9810    0.0000      0.0000         0.0148    0.0322
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5793   -0.6582    0.3986)
 a2 = (    0.0135   -0.3017   -0.4758)
 a3 = (    0.3479   -0.8891    0.5929)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5913   -0.6631    0.3949) (    0.0089    0.0075    0.0050)
 a2 = (    0.0217   -0.3013   -0.4735) (    0.0028    0.0084    0.0079)
 a3 = (    0.3331   -0.8956    0.5852) (    0.0176    0.0132    0.0071)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  154.2750   69.3512   57.9149    0.3518    0.5073    0.5895
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0021    0.0024    0.0155

# Number of computed bands
            400             89
# Figure of merit at the beginning and the end of the refinement
         7.7091        51.3206
# Chi-squares at the beginning and the end of the refinement
    0.3757    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    0    2    2   -0.0273    0.0900   -0.0241    0.0824    0.0082    1
    4   -1   -3    0   -0.2027   -0.5882   -0.1976   -0.5890    0.0052    1
    5    0   -2   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -1    1    2   -0.1089    0.1202   -0.1046    0.1173    0.0052    1
    7    0   -4   -1    0.1157   -0.6031    0.1201   -0.5972    0.0074    1
    8    1   -3   -2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -2    0    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3   -1    2   -0.1846   -0.0380   -0.1815   -0.0378    0.0030    1
   13    3   -1   -2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    3   -3   -2    0.5370   -0.1538    0.5323   -0.1459    0.0092    1
   15   -2   -2    1   -0.3400   -0.2369   -0.3358   -0.2354    0.0045    1
   16    2    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -2   -1    0.7440   -0.0854    0.7260   -0.0804    0.0187    1
   18    2   -4   -1    1.0809   -0.5399    1.0655   -0.4953    0.0472    0
   19    3    1   -1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    3   -1   -1    0.4510    0.1684    0.4436    0.1639    0.0087    1
   21   -1   -1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    2    0    0    0.3004    0.3413    0.2970    0.3320    0.0099    1
   23    1    1    1    0.0324    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -1   -3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    0    2    2   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -3    0   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    0   -2   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1    2   -0.1043    0.1167   -0.1046    0.1173    0.0006    1
    7    0   -4   -1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    1   -3   -2    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -2    0    2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1   -3   -1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -3   -1    2   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    3   -1   -2    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    3   -3   -2    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -2   -2    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    2    0   -1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    2   -2   -1    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    2   -4   -1    1.0587   -0.5120    1.0655   -0.4953    0.0180    1
   19    3    1   -1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    3   -1   -1    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21   -1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2    0    0    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    1    1    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.22                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7686    1.2617    1.2571   90.5530  134.5185   89.5648      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7817    1.2499    1.2752   90.0000  135.2266   90.0000      0.0000         1.3971    0.9801
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0417    0.0175    0.0935    0.0000    1.3312    0.0000      0.0000         0.0737    0.0725
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1877    0.7492    0.1798)
 a2 = (   -0.7560   -0.2150    0.1027)
 a3 = (   -0.0461    0.5893    0.9462)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1902    0.7531    0.1783) (    0.0048    0.0029    0.0135)
 a2 = (   -0.7634   -0.2169    0.1016) (    0.0111    0.0051    0.0059)
 a3 = (   -0.0470    0.6033    0.9346) (    0.0151    0.0112    0.0703)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.4323   14.9068   44.5908    1.2026    1.0432    1.2933
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
             77             87
# Figure of merit at the beginning and the end of the refinement
        34.7489        51.3183
# Chi-squares at the beginning and the end of the refinement
    0.0640    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    3   -1    0   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -4    0    1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1   -1    1   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -3   -1    1   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7    2    0    1    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    3    1    0    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -2   -2    1   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    1    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12   -1   -3    1   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    1    3    0    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1    3    1    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    0   -2    1   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    0    2    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    0    2    1    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    0    2    2    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19   -1    3    0    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20   -1    3    1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    1   -1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -2    2    1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -3    1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    3   -1    0   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -4    0    1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -1    1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    2    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -3   -1    1   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    2    0    1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    3    1    0    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9   -2   -2    1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    1    1    0    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    1    1    1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1   -3    1   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    1    3    0    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    1    3    1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    0   -2    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    0    2    1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    0    2    2    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19   -1    3    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    3    1    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    1   -1    0   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -2    2    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -3    1    1    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.23                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7743    1.2665    1.2484   91.0776  134.5143   89.2489      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7965    1.2499    1.2752   90.0000  135.6945   90.0000      0.0000         1.4088    0.9801
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0969    0.0175    0.0935    0.0000    3.0162    0.0000      0.0000         0.0315    0.0725
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1875   -0.7464   -0.1800)
 a2 = (    0.7534    0.2137   -0.1017)
 a3 = (    0.3480   -0.8893    0.5919)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1902   -0.7531   -0.1783) (    0.0048    0.0029    0.0135)
 a2 = (    0.7634    0.2169   -0.1016) (    0.0111    0.0051    0.0059)
 a3 = (    0.3334   -0.9029    0.5780) (    0.0127    0.0127    0.0451)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -119.5677   14.9068   44.5908    1.2026    1.0432    1.2933
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            400             87
# Figure of merit at the beginning and the end of the refinement
         7.9763        51.3183
# Chi-squares at the beginning and the end of the refinement
    0.0891    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    0   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    2    0    1   -0.0271    0.0891   -0.0241    0.0824    0.0073    1
    4   -3    1    1   -0.2029   -0.5889   -0.1976   -0.5890    0.0053    1
    5   -2    0    0    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    1    1    1   -0.1085    0.1197   -0.1046    0.1173    0.0046    1
    7   -4    0    1    0.1158   -0.6036    0.1201   -0.5972    0.0077    1
    8   -3   -1    0    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    0    2    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3   -1    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1    3    1   -0.1850   -0.0381   -0.1815   -0.0378    0.0035    1
   13   -1   -3    0    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -3   -3    1    0.5366   -0.1537    0.5323   -0.1459    0.0088    1
   15   -2    2    1   -0.3405   -0.2372   -0.3358   -0.2354    0.0051    1
   16    0   -2    0    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -2   -2    1    0.7433   -0.0854    0.7260   -0.0804    0.0180    1
   18   -4   -2    2    1.0803   -0.5396    1.0655   -0.4953    0.0468    0
   19    1   -3    0    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -1   -3    1    0.4501    0.1681    0.4436    0.1639    0.0078    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -2    1    0.2995    0.3403    0.2970    0.3320    0.0087    1
   23    1   -1    1    0.0323    0.2739    0.0342    0.2676    0.0065    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -3    1    0   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    2    0    1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -3    1    1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5   -2    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1    1    1   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -4    0    1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8   -3   -1    0    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    0    2    1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10   -1   -1    0    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -3   -1    1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1    3    1   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13   -1   -3    0    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -3   -3    1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15   -2    2    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -2   -2    1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18   -4   -2    2    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    1   -3    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -3    1    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21   -1    1    0   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    0   -2    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    1   -1    1    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.24                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7819    1.2561    1.2611   90.2501  134.8785   89.9034      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7965    1.2499    1.2549   90.0000  134.7810   90.0000      0.0000         1.4316    0.9960
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0398    0.0922    0.0913    0.0000    1.2806    0.0000      0.0000         0.0768    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1435   -0.1454    0.7652)
 a2 = (   -0.7595   -0.2154    0.1031)
 a3 = (    0.3282   -0.8954    0.5856)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1432   -0.1498    0.7563) (    0.0049    0.0171    0.0036)
 a2 = (   -0.7634   -0.2169    0.1016) (    0.0574    0.0152    0.0044)
 a3 = (    0.3334   -0.9029    0.5780) (    0.0158    0.0712    0.0052)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   82.5020  103.4006   14.1103    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
             81             87
# Figure of merit at the beginning and the end of the refinement
        42.9605        51.3183
# Chi-squares at the beginning and the end of the refinement
    0.0260    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -1   -3   -0.0146   -0.1755   -0.0133   -0.1793    0.0040    1
    3   -2    0    3   -0.0254    0.0871   -0.0241    0.0824    0.0049    1
    4    3   -1   -2   -0.1982   -0.5832   -0.1976   -0.5890    0.0058    1
    5    2    0   -2    0.0556   -0.2258    0.0566   -0.2258    0.0009    1
    6   -1   -1    2   -0.1052    0.1182   -0.1046    0.1173    0.0011    1
    7    4    0   -3    0.1165   -0.5969    0.1201   -0.5972    0.0036    1
    8    3    1   -3    0.1438   -0.2226    0.1441   -0.2219    0.0008    1
    9    0   -2    1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    1   -2    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    1   -3    0   -0.1806   -0.0373   -0.1815   -0.0378    0.0011    1
   13    1    3   -1    0.1981   -0.0083    0.1981   -0.0091    0.0008    1
   14    3    3   -2    0.5300   -0.1499    0.5323   -0.1459    0.0046    1
   15    2   -2   -1   -0.3353   -0.2349   -0.3358   -0.2354    0.0007    1
   16    0    2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    2   -1    0.7286   -0.0811    0.7260   -0.0804    0.0027    1
   18    4    2   -2    1.0586   -0.5144    1.0655   -0.4953    0.0204    1
   19   -1    3    1    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    1    3    0    0.4424    0.1640    0.4436    0.1639    0.0012    1
   21    1   -1   -1   -0.0348   -0.0585   -0.0357   -0.0605    0.0022    1
   22    0    2    1    0.2968    0.3305    0.2970    0.3320    0.0015    1
   23   -1    1    2    0.0356    0.2688    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    3   -1   -3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -2    0    3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    3   -1   -2   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    2    0   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1   -1    2   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    4    0   -3    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    3    1   -3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    0   -2    1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    1    1   -1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    3    1   -2    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1   -3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    1    3   -1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    3    3   -2    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    2   -2   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    2    2   -1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    4    2   -2    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19   -1    3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    1   -1   -1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    0    2    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1    1    2    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.27                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7815    1.2581    1.2574   90.0101  134.7877   89.9974      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7817    1.2499    1.2549   90.0000  134.2979   90.0000      0.0000         1.4198    0.9960
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0935    0.0922    0.0913    0.0000    3.0822    0.0000      0.0000         0.0330    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1456    0.1484   -0.7631)
 a2 = (    0.7583    0.2151   -0.1029)
 a3 = (    0.0432   -0.6028   -0.9437)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1432    0.1498   -0.7563) (    0.0049    0.0171    0.0036)
 a2 = (    0.7634    0.2169   -0.1016) (    0.0574    0.0152    0.0044)
 a3 = (    0.0470   -0.6033   -0.9346) (    0.0183    0.0461    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -97.4980  103.4006   14.1103    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
             83             87
# Figure of merit at the beginning and the end of the refinement
        46.4461        51.3183
# Chi-squares at the beginning and the end of the refinement
    0.0277    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2    3    1   -3   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -4    0    3   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4    1    1   -2   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5    2    0   -2    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -3    1    2   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7    2    0   -3    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8    3   -1   -3    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -2    2    1   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1   -2    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12   -1    3    0   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13    1   -3   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1   -3   -2    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15    0    2   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -2   -1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18    0   -2   -2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1   -3    1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -1   -3    0    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21    1    1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -2   -2    1    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23   -3   -1    2    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    3    1   -3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -4    0    3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1   -2   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    2    0   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -3    1    2   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    2    0   -3    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    3   -1   -3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9   -2    2    1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    1   -1   -1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    1   -1   -2    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1    3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    1   -3   -1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    1   -3   -2    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    0    2   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    0   -2   -1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    0   -2   -2    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19   -1   -3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    1    1   -1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -2   -2    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -3   -1    2    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.30                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7774    1.2586    1.2577   89.9080  134.6959   90.1303      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7965    1.2499    1.2549   90.0000  134.7810   90.0000      0.0000         1.4316    0.9960
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0398    0.0922    0.0913    0.0000    1.2806    0.0000      0.0000         0.0768    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1442    0.1424   -0.7651)
 a2 = (   -0.7580   -0.2155    0.1014)
 a3 = (   -0.3323    0.8936   -0.5849)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1432    0.1498   -0.7563) (    0.0049    0.0171    0.0036)
 a2 = (   -0.7634   -0.2169    0.1016) (    0.0574    0.0152    0.0044)
 a3 = (   -0.3334    0.9029   -0.5780) (    0.0158    0.0712    0.0052)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -82.5020   76.5994 -165.8897    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
             81             87
# Figure of merit at the beginning and the end of the refinement
        40.9287        51.3183
# Chi-squares at the beginning and the end of the refinement
    0.0361    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7309   -0.0593   -0.7289   -0.0565    0.0034    1
    2   -3   -1    3   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3    2    0   -3   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -3   -1    2   -0.1952   -0.5849   -0.1976   -0.5890    0.0047    1
    5   -2    0    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1   -2   -0.1054    0.1179   -0.1046    0.1173    0.0010    1
    7   -4    0    3    0.1184   -0.5950    0.1201   -0.5972    0.0028    1
    8   -3    1    3    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9    0   -2   -1   -0.1945    0.0487   -0.1940    0.0483    0.0006    1
   10   -1    1    1    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11   -3    1    2    0.5305   -0.6132    0.5314   -0.6143    0.0014    1
   12   -1   -3    0   -0.1827   -0.0381   -0.1815   -0.0378    0.0012    1
   13   -1    3    1    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14   -3    3    2    0.5278   -0.1502    0.5323   -0.1459    0.0062    1
   15   -2   -2    1   -0.3365   -0.2377   -0.3358   -0.2354    0.0024    1
   16    0    2    0    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17   -2    2    1    0.7266   -0.0828    0.7260   -0.0804    0.0025    1
   18   -4    2    2    1.0523   -0.5160    1.0655   -0.4953    0.0246    1
   19    1    3   -1    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20   -1    3    0    0.4415    0.1636    0.4436    0.1639    0.0021    1
   21   -1   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    2   -1    0.2954    0.3306    0.2970    0.3320    0.0021    1
   23    1    1   -2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -3   -1    3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    2    0   -3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -3   -1    2   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5   -2    0    2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -1   -2   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -4    0    3    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8   -3    1    3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    0   -2   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10   -1    1    1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -3    1    2    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1   -3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13   -1    3    1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -3    3    2    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15   -2   -2    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -2    2    1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18   -4    2    2    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    1    3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21   -1   -1    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    0    2   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    1    1   -2    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.32                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7658    1.2604    1.2580   89.4282  134.4128   90.4030      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7817    1.2499    1.2752   90.0000  135.2266   90.0000      0.0000         1.3971    0.9801
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0417    0.0175    0.0935    0.0000    1.3312    0.0000      0.0000         0.0737    0.0725
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1876   -0.7491   -0.1793)
 a2 = (   -0.7569   -0.2144    0.1034)
 a3 = (    0.0454   -0.5867   -0.9445)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1902   -0.7531   -0.1783) (    0.0048    0.0029    0.0135)
 a2 = (   -0.7634   -0.2169    0.1016) (    0.0111    0.0051    0.0059)
 a3 = (    0.0470   -0.6033   -0.9346) (    0.0151    0.0112    0.0703)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.4323  165.0932 -135.4092    1.2026    1.0432    1.2933
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
             75             87
# Figure of merit at the beginning and the end of the refinement
        33.6423        51.3183
# Chi-squares at the beginning and the end of the refinement
    0.0774    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2   -3   -1    0   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3    4    0   -1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1   -1   -1   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5   -2    0    0    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6    3   -1   -1   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7   -2    0   -1    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8   -3    1    0    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    2   -2   -1   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1   -1    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12    1   -3   -1   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13   -1    3    0    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -1    3   -1    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15    0   -2   -1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    0    2    0    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17    0    2   -1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18    0    2   -2    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    1    3    0    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20    1    3   -1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21   -1   -1    0   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22    2    2   -1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    3    1   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -3   -1    0   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    4    0   -1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1   -1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5   -2    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    3   -1   -1   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -2    0   -1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8   -3    1    0    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    2   -2   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10   -1    1    0    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -1    1   -1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1   -3   -1   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13   -1    3    0    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -1    3   -1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    0   -2   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    0    2   -1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    0    2   -2    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    1    3    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    3   -1    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21   -1   -1    0   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    2    2   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    3    1   -1    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.49                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2665    1.7805    1.0832   88.9238  125.0201   90.7625      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2587    1.7849    1.0902   90.0000  125.2553   90.0000      0.0000         1.1545    1.6372
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0134    0.0364    0.0182    0.0000    0.8657    0.0000      0.0000         0.0162    0.0292
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7669   -0.0881   -0.5776)
 a2 = (    0.1740   -0.4446    0.2959)
 a3 = (    0.0270   -0.6035   -0.9518)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7796   -0.0861   -0.5757) (    0.0051    0.0089    0.0064)
 a2 = (    0.1666   -0.4478    0.2926) (    0.0058    0.0105    0.0042)
 a3 = (    0.0433   -0.6027   -0.9469) (    0.0137    0.0131    0.0124)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -48.5674  127.8846  -41.1314    0.5138    0.5582    0.5294
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0024    0.0024    0.0152

# Number of computed bands
            400             89
# Figure of merit at the beginning and the end of the refinement
         7.9763        51.2843
# Chi-squares at the beginning and the end of the refinement
    0.2852    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -3   -2   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    4    1   -0.0271    0.0891   -0.0241    0.0824    0.0073    1
    4    1   -1   -2   -0.2029   -0.5889   -0.1976   -0.5890    0.0053    1
    5    0   -2   -1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    1    3    0   -0.1085    0.1197   -0.1046    0.1173    0.0046    1
    7    0   -2   -2    0.1158   -0.6036    0.1201   -0.5972    0.0077    1
    8   -1   -3   -1    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    2    2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    3    1   -2   -0.1850   -0.0381   -0.1815   -0.0378    0.0035    1
   13   -3   -1    1    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -3   -1    0    0.5366   -0.1537    0.5323   -0.1459    0.0088    1
   15    2    0   -2   -0.3405   -0.2372   -0.3358   -0.2354    0.0051    1
   16   -2    0    1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -2    0    0    0.7433   -0.0854    0.7260   -0.0804    0.0180    1
   18   -2    0   -1    1.0803   -0.5396    1.0655   -0.4953    0.0468    0
   19   -3    1    2    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -3    1    1    0.4501    0.1681    0.4436    0.1639    0.0078    1
   21    1   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    2    1    0.2995    0.3403    0.2970    0.3320    0.0087    1
   23   -1    3    1    0.0323    0.2739    0.0342    0.2676    0.0065    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1   -3   -2   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0    4    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1   -1   -2   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    0   -2   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1    3    0   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    0   -2   -2    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8   -1   -3   -1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    2    2   -1   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1    0    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1   -1   -1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    3    1   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -3   -1    1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -3   -1    0    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    2    0   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16   -2    0    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17   -2    0    0    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18   -2    0   -1    1.0587   -0.5120    1.0655   -0.4953    0.0181    1
   19   -3    1    2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -3    1    1    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2    2    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1    3    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.50                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2466    1.7949    1.0789   90.8983  123.9887   91.2798      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2587    1.7849    1.0903   90.0000  125.2580   90.0000      0.0000         1.1545    1.6371
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0122    0.0301    0.0195    0.0000    0.7828    0.0000      0.0000         0.0178    0.0355
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7298    0.5221    0.3635)
 a2 = (   -0.1547    0.4535   -0.2851)
 a3 = (   -0.0717    0.6099    0.9348)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7363    0.5165    0.3712) (    0.0061    0.0063    0.0067)
 a2 = (   -0.1666    0.4478   -0.2926) (    0.0047    0.0091    0.0039)
 a3 = (   -0.0433    0.6027    0.9469) (    0.0143    0.0121    0.0146)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  143.8531   40.2990 -115.8250    0.5800    0.5160    0.7074
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0024    0.0024    0.0152

# Number of computed bands
            400             89
# Figure of merit at the beginning and the end of the refinement
         5.4164        51.2843
# Chi-squares at the beginning and the end of the refinement
    0.3442    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    3    1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    0   -4   -1   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    1    1    1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    0    2    1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1   -3   -1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7    0    2    2    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -1    3    2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    2   -2   -1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    2    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    3   -1   -1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -3    1    2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3    1    3    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    2    0    0   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16   -2    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    0    2    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -2    0    3    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19   -3   -1    1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -3   -1    2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -2   -2    1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -1   -3    0    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1    3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0   -4   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    1    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    0    2    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -3   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    0    2    2    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8   -1    3    2    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    2   -2   -1   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    1    1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1    1    2    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    3   -1   -1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -3    1    2    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -3    1    3    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    2    0    0   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16   -2    0    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17   -2    0    2    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18   -2    0    3    1.0587   -0.5120    1.0655   -0.4953    0.0181    1
   19   -3   -1    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -3   -1    2    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2   -2    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1   -3    0    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.52                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7904    1.2478    1.2657   90.1692  134.9729   90.6110      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7792    1.2642    1.2587   90.0000  135.0577   90.0000      0.0000         1.4135    1.0044
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0166    0.0548    0.0188    0.0000    0.5320    0.0000      0.0000         0.0157    0.0410
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7533   -0.2137    0.1022)
 a2 = (   -0.1605    0.1428   -0.7722)
 a3 = (   -0.5658   -0.9599   -0.0772)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7591   -0.2156    0.1021) (    0.0020    0.0066    0.0046)
 a2 = (   -0.1445    0.1471   -0.7636) (    0.0108    0.0102    0.0318)
 a3 = (   -0.5705   -0.9661   -0.0782) (    0.0078    0.0145    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.4307  103.1168   14.1313    0.3483    0.4133    0.4910
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0023    0.0023    0.0410

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         7.7091        51.2618
# Chi-squares at the beginning and the end of the refinement
    0.1138    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2    0   -3   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -3   -1    3   -0.0273    0.0900   -0.0241    0.0824    0.0082    1
    4    1   -1   -2   -0.2027   -0.5882   -0.1976   -0.5890    0.0052    1
    5    2    0   -2    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -3   -1    2   -0.1089    0.1202   -0.1046    0.1173    0.0052    1
    7    3   -1   -3    0.1157   -0.6031    0.1201   -0.5972    0.0074    1
    8    4    0   -3    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -3   -1    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    2    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1   -2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3   -1    0   -0.1846   -0.0380   -0.1815   -0.0378    0.0030    1
   13    4    0   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    5   -1   -2    0.5370   -0.1538    0.5323   -0.1459    0.0092    1
   15   -1   -1   -1   -0.3400   -0.2369   -0.3358   -0.2354    0.0045    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3   -1   -1    0.7440   -0.0854    0.7260   -0.0804    0.0187    1
   18    4   -2   -2    1.0809   -0.5399    1.0655   -0.4953    0.0472    0
   19    2    0    1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    3   -1    0    0.4510    0.1684    0.4436    0.1639    0.0087    1
   21    0    0   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1   -1    1    0.3004    0.3413    0.2970    0.3320    0.0099    1
   23   -1   -1    2    0.0324    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7290   -0.0556   -0.7289   -0.0565    0.0009    1
    2    2    0   -3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3   -1    3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1   -1   -2   -0.1964   -0.5868   -0.1976   -0.5890    0.0025    1
    5    2    0   -2    0.0572   -0.2267    0.0566   -0.2258    0.0011    1
    6   -3   -1    2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    3   -1   -3    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    4    0   -3    0.1450   -0.2226    0.1441   -0.2219    0.0011    1
    9   -3   -1    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    2    0   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    3   -1   -2    0.5350   -0.6139    0.5314   -0.6143    0.0036    1
   12   -3   -1    0   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13    4    0   -1    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14    5   -1   -2    0.5294   -0.1493    0.5323   -0.1459    0.0045    1
   15   -1   -1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    2    0    0    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17    3   -1   -1    0.7278   -0.0804    0.7260   -0.0804    0.0018    1
   18    4   -2   -2    1.0586   -0.5112    1.0655   -0.4953    0.0173    1
   19    2    0    1    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20    3   -1    0    0.4418    0.1640    0.4436    0.1639    0.0018    1
   21    0    0   -1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22    1   -1    1    0.2953    0.3304    0.2970    0.3320    0.0023    1
   23   -1   -1    2    0.0344    0.2669    0.0342    0.2676    0.0008    1

###            No.53                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7620    1.2890    1.2453   89.8308  134.9678   91.3837      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7792    1.2642    1.2587   90.0000  135.0577   90.0000      0.0000         1.4135    1.0044
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0166    0.0548    0.0188    0.0000    0.5320    0.0000      0.0000         0.0157    0.0410
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7656    0.2172   -0.1039)
 a2 = (   -0.1189    0.1486   -0.7525)
 a3 = (    0.5751    0.9756    0.0784)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7591    0.2156   -0.1021) (    0.0020    0.0066    0.0046)
 a2 = (   -0.1445    0.1471   -0.7636) (    0.0108    0.0102    0.0318)
 a3 = (    0.5705    0.9661    0.0782) (    0.0078    0.0145    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4307   76.8832 -165.8687    0.3483    0.4133    0.4910
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0023    0.0023    0.0410

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         5.4164        51.2618
# Chi-squares at the beginning and the end of the refinement
    0.2362    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    0    3   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    3   -1   -3   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4   -1   -1    2   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5   -2    0    2    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    3   -1   -2   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -3   -1    3    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -4    0    3    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    3   -1   -1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10   -2    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3   -1    2    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    3   -1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -4    0    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -5   -1    2    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    1   -1    1   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1    1    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -4   -2    2    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19   -2    0   -1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -3   -1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    0    0    1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1   -1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23    1   -1   -2    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7290   -0.0556   -0.7289   -0.0565    0.0009    1
    2   -2    0    3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    3   -1   -3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -1    2   -0.1964   -0.5868   -0.1976   -0.5890    0.0025    1
    5   -2    0    2    0.0572   -0.2267    0.0566   -0.2258    0.0011    1
    6    3   -1   -2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -3   -1    3    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -4    0    3    0.1450   -0.2226    0.1441   -0.2219    0.0011    1
    9    3   -1   -1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -2    0    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -3   -1    2    0.5350   -0.6139    0.5314   -0.6143    0.0036    1
   12    3   -1    0   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -4    0    1    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14   -5   -1    2    0.5294   -0.1493    0.5323   -0.1459    0.0045    1
   15    1   -1    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -2    0    0    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17   -3   -1    1    0.7278   -0.0804    0.7260   -0.0804    0.0018    1
   18   -4   -2    2    1.0586   -0.5112    1.0655   -0.4953    0.0173    1
   19   -2    0   -1    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -3   -1    0    0.4418    0.1640    0.4436    0.1639    0.0018    1
   21    0    0    1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22   -1   -1   -1    0.2953    0.3304    0.2970    0.3320    0.0023    1
   23    1   -1   -2    0.0344    0.2669    0.0342    0.2676    0.0008    1

###            No.54                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7666    1.2561    1.2500   90.9903  133.8404   90.0031      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7783    1.2642    1.2587   90.0000  135.0291   90.0000      0.0000         1.4128    1.0044
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0198    0.0548    0.0188    0.0000    0.6378    0.0000      0.0000         0.0131    0.0410
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7449    0.2271   -0.0983)
 a2 = (    0.1625   -0.1568    0.7637)
 a3 = (    0.9343   -0.5289   -0.2797)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7591    0.2156   -0.1021) (    0.0020    0.0066    0.0046)
 a2 = (    0.1445   -0.1471    0.7636) (    0.0108    0.0102    0.0318)
 a3 = (    0.9476   -0.5348   -0.2823) (    0.0079    0.0117    0.0095)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5693  103.1168   14.1313    0.3483    0.4133    0.4910
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0023    0.0023    0.0410

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         3.3930        51.2618
# Chi-squares at the beginning and the end of the refinement
    0.6834    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    4    0   -3   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3   -3    1    3   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4    3    1   -2   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    2    0   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1    2   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3    1   -3    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8    2    0   -3    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9    1    1    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1   -2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    3    1    0   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13   -2    0   -1    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14   -1    1   -2    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    3    1   -1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16   -2    0    0    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17   -1    1   -1    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18   -1    3   -3    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19   -4    0    1    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20   -3    1    0    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21    2    0   -1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22   -3    1    1    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23   -3    1    2    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7290   -0.0556   -0.7289   -0.0565    0.0009    1
    2    4    0   -3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    1    3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    3    1   -2   -0.1964   -0.5868   -0.1976   -0.5890    0.0025    1
    5    2    0   -2    0.0572   -0.2267    0.0566   -0.2258    0.0011    1
    6   -1    1    2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    3    1   -3    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    2    0   -3    0.1450   -0.2226    0.1441   -0.2219    0.0011    1
    9    1    1    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    0    0   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1   -2    0.5350   -0.6139    0.5314   -0.6143    0.0036    1
   12    3    1    0   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -2    0   -1    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14   -1    1   -2    0.5294   -0.1493    0.5323   -0.1459    0.0045    1
   15    3    1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -2    0    0    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17   -1    1   -1    0.7278   -0.0804    0.7260   -0.0804    0.0018    1
   18    0    2   -2    1.0586   -0.5112    1.0655   -0.4953    0.0173    1
   19   -4    0    1    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -3    1    0    0.4418    0.1640    0.4436    0.1639    0.0018    1
   21    2    0   -1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22   -3    1    1    0.2953    0.3304    0.2970    0.3320    0.0023    1
   23   -3    1    2    0.0344    0.2669    0.0342    0.2676    0.0008    1

###            No.55                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2526    1.7834    1.0886   90.3754  124.6500   90.6474      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2569    1.7853    1.0896   90.0000  125.1089   90.0000      0.0000         1.1536    1.6385
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0113    0.0340    0.0217    0.0000    0.7344    0.0000      0.0000         0.0192    0.0298
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9237    0.2337   -0.1853)
 a2 = (   -0.0286    0.3030    0.4710)
 a3 = (   -0.3240    0.8994   -0.5773)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9250    0.2325   -0.1904) (    0.0028    0.0088    0.0052)
 a2 = (   -0.0219    0.2999    0.4726) (    0.0028    0.0071    0.0088)
 a3 = (   -0.3324    0.8978   -0.5850) (    0.0126    0.0202    0.0097)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.0617  119.9847  159.2797    0.3486    0.4359    0.5677
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
             97             85
# Figure of merit at the beginning and the end of the refinement
        22.9573        51.1853
# Chi-squares at the beginning and the end of the refinement
    0.1011    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    3    2   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -2   -2   -0.0239    0.0814   -0.0241    0.0824    0.0010    1
    4   -1    3    1   -0.1912   -0.5860   -0.1976   -0.5890    0.0071    1
    5    0    2    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -1   -1   -0.1008    0.1134   -0.1046    0.1173    0.0054    1
    7    0    4    1    0.1232   -0.5933    0.1201   -0.5972    0.0049    1
    8    1    3    1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2    0    0   -0.1886    0.0477   -0.1940    0.0483    0.0055    1
   10    1    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    3    0    0.5331   -0.6035    0.5314   -0.6143    0.0109    1
   12   -3    1    1   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13    3    1   -1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    3   -1    0.5250   -0.1473    0.5323   -0.1459    0.0074    1
   15   -2    2    1   -0.3341   -0.2366   -0.3358   -0.2354    0.0021    1
   16    2    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    2   -1    0.7181   -0.0791    0.7260   -0.0804    0.0080    1
   18    2    4   -1    1.0406   -0.4957    1.0655   -0.4953    0.0249    1
   19    3   -1   -2    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3    1   -2    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21   -1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    0   -2    0.2928    0.3251    0.2970    0.3320    0.0081    1
   23    1   -1   -2    0.0347    0.2622    0.0342    0.2676    0.0055    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2   -1    3    2   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -2   -2   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    3    1   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    0    2    1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -1   -1   -1   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7    0    4    1    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8    1    3    1    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9   -2    0    0   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1    1    0    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11    1    3    0    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12   -3    1    1   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13    3    1   -1    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    3    3   -1    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15   -2    2    1   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16    2    0   -1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17    2    2   -1    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18    2    4   -1    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19    3   -1   -2    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    3    1   -2    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21   -1    1    1   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22    2    0   -2    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23    1   -1   -2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.56                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2665    1.7743    1.0856   88.9307  124.9172   90.7511      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2569    1.7853    1.0916   90.0000  125.2629   90.0000      0.0000         1.1514    1.6354
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0149    0.0298    0.0182    0.0000    0.9600    0.0000      0.0000         0.0145    0.0308
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5794   -0.6583    0.3976)
 a2 = (    0.0135   -0.3018   -0.4759)
 a3 = (    0.3480   -0.8893    0.5919)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5926   -0.6653    0.3946) (    0.0087    0.0072    0.0045)
 a2 = (    0.0219   -0.2999   -0.4726) (    0.0027    0.0072    0.0070)
 a3 = (    0.3324   -0.8978    0.5850) (    0.0174    0.0129    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  154.3605   69.3745   57.9058    0.3173    0.4862    0.5829
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            400             85
# Figure of merit at the beginning and the end of the refinement
         7.9763        51.1853
# Chi-squares at the beginning and the end of the refinement
    0.3640    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3   -1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0    2    2   -0.0271    0.0891   -0.0241    0.0824    0.0073    1
    4   -1   -3    0   -0.2029   -0.5889   -0.1976   -0.5890    0.0053    1
    5    0   -2   -1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6   -1    1    2   -0.1085    0.1197   -0.1046    0.1173    0.0046    1
    7    0   -4   -1    0.1158   -0.6036    0.1201   -0.5972    0.0077    1
    8    1   -3   -2    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9   -2    0    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3   -1    2   -0.1850   -0.0381   -0.1815   -0.0378    0.0035    1
   13    3   -1   -2    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14    3   -3   -2    0.5366   -0.1537    0.5323   -0.1459    0.0088    1
   15   -2   -2    1   -0.3405   -0.2372   -0.3358   -0.2354    0.0051    1
   16    2    0   -1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17    2   -2   -1    0.7433   -0.0854    0.7260   -0.0804    0.0180    1
   18    2   -4   -1    1.0803   -0.5396    1.0655   -0.4953    0.0468    0
   19    3    1   -1    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20    3   -1   -1    0.4501    0.1681    0.4436    0.1639    0.0078    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    0    0    0.2995    0.3403    0.2970    0.3320    0.0087    1
   23    1    1    1    0.0323    0.2739    0.0342    0.2676    0.0065    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2   -1   -3   -1   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0    2    2   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4   -1   -3    0   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    0   -2   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -1    1    2   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7    0   -4   -1    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8    1   -3   -2    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9   -2    0    2   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1   -1   -1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11    1   -3   -1    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12   -3   -1    2   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13    3   -1   -2    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    3   -3   -2    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15   -2   -2    1   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16    2    0   -1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17    2   -2   -1    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18    2   -4   -1    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19    3    1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    3   -1   -1    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21   -1   -1    0   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22    2    0    0    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23    1    1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.73                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2280    1.8038    1.0637   90.2494  121.9023   90.7730      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2569    1.7853    1.0896   90.0000  125.1089   90.0000      0.0000         1.1536    1.6385
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0113    0.0340    0.0217    0.0000    0.7344    0.0000      0.0000         0.0192    0.0298
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9123   -0.2272    0.1911)
 a2 = (   -0.0133    0.2968    0.4682)
 a3 = (    0.2683   -0.8958    0.5933)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9250   -0.2325    0.1904) (    0.0028    0.0088    0.0052)
 a2 = (   -0.0219    0.2999    0.4726) (    0.0028    0.0071    0.0088)
 a3 = (    0.3324   -0.8978    0.5850) (    0.0126    0.0202    0.0097)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.0617   60.0153  -20.7203    0.3486    0.4359    0.5677
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            400             85
# Figure of merit at the beginning and the end of the refinement
         4.5372        51.1853
# Chi-squares at the beginning and the end of the refinement
    1.0166    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    5   -3   -0.0020   -0.1906   -0.0133   -0.1793    0.0159    1
    3    0   -2    2   -0.0235    0.0994   -0.0241    0.0824    0.0170    1
    4    1    3   -1   -0.2166   -0.5589   -0.1976   -0.5890    0.0356    0
    5    0    2   -1    0.0439   -0.2216    0.0566   -0.2258    0.0134    1
    6    1   -1    1   -0.1097    0.1305   -0.1046    0.1173    0.0142    1
    7    0    4   -1    0.0926   -0.5998    0.1201   -0.5972    0.0277    0
    8   -1    3   -1    0.1365   -0.2252    0.1441   -0.2219    0.0083    1
    9    2    0    0   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    0    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    3    1   -1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -3    1    1    0.1965   -0.0065    0.1981   -0.0091    0.0030    1
   14   -3    3    1    0.5294   -0.1427    0.5323   -0.1459    0.0043    1
   15    2    2   -1   -0.3251   -0.2200   -0.3358   -0.2354    0.0187    1
   16   -2    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    2    1    0.7183   -0.0691    0.7260   -0.0804    0.0137    1
   18   -2    4    1    1.0658   -0.4939    1.0655   -0.4953    0.0013    1
   19   -3   -1    2    0.0470    0.0302    0.0407    0.0272    0.0069    1
   20   -3    1    2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1   -1   -0.0312   -0.0478   -0.0357   -0.0605    0.0135    1
   22   -2    0    2    0.3006    0.3121    0.2970    0.3320    0.0203    1
   23   -1   -1    2    0.0532    0.2730    0.0342    0.2676    0.0198    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2    1    3   -2   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -2    2   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4    1    3   -1   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    0    2   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1   -1    1   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7    0    4   -1    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1    3   -1    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9    2    0    0   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10   -1    1    0    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1    3    0    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12    3    1   -1   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13   -3    1    1    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -3    3    1    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15    2    2   -1   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -2    0    1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17   -2    2    1    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18   -2    4    1    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19   -3   -1    2    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3    1    2    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21    1    1   -1   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22   -2    0    2    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23   -1   -1    2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.77                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7628    1.2656    1.2481   89.8824  134.0886   90.1297      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7816    1.2586    1.2648   90.0000  135.1541   90.0000      0.0000         1.4086    0.9951
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0403    0.0189    0.0585    0.0000    1.2894    0.0000      0.0000         0.0434    0.0426
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7533   -0.2142    0.1023)
 a2 = (    0.1870   -0.7465   -0.1791)
 a3 = (   -0.5933   -0.3576    0.8743)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7594   -0.2155    0.1019) (    0.0018    0.0047    0.0065)
 a2 = (    0.1888   -0.7505   -0.1802) (    0.0053    0.0110    0.0070)
 a3 = (   -0.6142   -0.3622    0.8651) (    0.0175    0.0154    0.0395)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  150.5468   15.0958   44.4425    1.2999    0.5533    1.3871
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         7.7680        50.9891
# Chi-squares at the beginning and the end of the refinement
    0.1051    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3    0   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -1    3    1   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4   -2   -2    1   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5    0   -2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    2    1   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7   -1   -3    1    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8    1   -3    0    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -3    1    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -2    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -4    0    1   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13    3   -1    0    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    2   -2    1    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15   -3   -1    1   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16    2    0    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1   -1    1    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18    0   -2    2    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19    3    1    0    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    2    0    1    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21   -1   -1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    1    1    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23    0    2    1    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2   -1   -3    0   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    3    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -2   -2    1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0   -2    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2    2    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1   -3    1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    1   -3    0    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9   -3    1    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1    0    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    0   -2    1    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12   -4    0    1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13    3   -1    0    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    2   -2    1    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15   -3   -1    1   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16    2    0    0    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17    1   -1    1    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18    0   -2    2    1.0584   -0.5118    1.0655   -0.4953    0.0180    1
   19    3    1    0    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20    2    0    1    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21   -1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    1    1    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23    0    2    1    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.85                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7567    1.2744    1.2500   91.1881  134.3649   89.8521      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7817    1.2499    1.2549   90.0000  134.2979   90.0000      0.0000         1.4198    0.9960
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0935    0.0922    0.0913    0.0000    3.0822    0.0000      0.0000         0.0330    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1625   -0.1568    0.7637)
 a2 = (    0.7449    0.2271   -0.0983)
 a3 = (   -0.0268    0.5993    0.9451)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1432   -0.1498    0.7563) (    0.0049    0.0171    0.0036)
 a2 = (    0.7634    0.2169   -0.1016) (    0.0574    0.0152    0.0044)
 a3 = (   -0.0470    0.6033    0.9346) (    0.0183    0.0461    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.4980   76.5994 -165.8897    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            400             89
# Figure of merit at the beginning and the end of the refinement
         3.3930        50.7384
# Chi-squares at the beginning and the end of the refinement
    0.7838    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    3   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    4    0   -3   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4   -1    1    2   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5   -2    0    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    3    1   -2   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -2    0    3    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8   -3   -1    3    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9    2    2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    3    0   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13   -1   -3    1    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14   -1   -3    2    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15    0    2    1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    0   -2    0    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    0   -2    1    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18    0   -4    3    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19    1   -3   -1    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    1   -3    0    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21   -1    1    1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22    2   -2   -1    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    3   -1   -2    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -3    1    3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    4    0   -3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1    2   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5   -2    0    2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    3    1   -2   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -2    0    3    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8   -3   -1    3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    2    2   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10   -1   -1    1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -1   -1    2    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1    3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13   -1   -3    1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -1   -3    2    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    0    2    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    0   -2    1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    0   -2    2    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    1   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21   -1    1    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    2   -2   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    3   -1   -2    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.89                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7619    1.2657    1.2478   90.1692  134.0463   89.8896      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7816    1.2586    1.2648   90.0000  135.1541   90.0000      0.0000         1.4086    0.9951
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0403    0.0189    0.0585    0.0000    1.2894    0.0000      0.0000         0.0434    0.0426
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7533    0.2137   -0.1022)
 a2 = (    0.1875   -0.7463   -0.1794)
 a3 = (    0.5928    0.3565   -0.8745)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7594    0.2155   -0.1019) (    0.0018    0.0047    0.0065)
 a2 = (    0.1888   -0.7505   -0.1802) (    0.0053    0.0110    0.0070)
 a3 = (    0.6142    0.3622   -0.8651) (    0.0175    0.0154    0.0395)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -150.5468  164.9042 -135.5575    1.2999    0.5533    1.3871
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400             92
# Figure of merit at the beginning and the end of the refinement
         7.7091        50.7112
# Chi-squares at the beginning and the end of the refinement
    0.1107    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -3    0   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    1    3   -1   -0.0273    0.0900   -0.0241    0.0824    0.0082    1
    4    2   -2   -1   -0.2027   -0.5882   -0.1976   -0.5890    0.0052    1
    5    0   -2    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2    2   -1   -0.1089    0.1202   -0.1046    0.1173    0.0052    1
    7    1   -3   -1    0.1157   -0.6031    0.1201   -0.5972    0.0074    1
    8   -1   -3    0    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    3    1   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -2   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    4    0   -1   -0.1846   -0.0380   -0.1815   -0.0378    0.0030    1
   13   -3   -1    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2   -2   -1    0.5370   -0.1538    0.5323   -0.1459    0.0092    1
   15    3   -1   -1   -0.3400   -0.2369   -0.3358   -0.2354    0.0045    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1   -1    0.7440   -0.0854    0.7260   -0.0804    0.0187    1
   18    0   -2   -2    1.0809   -0.5399    1.0655   -0.4953    0.0472    0
   19   -3    1    0    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -2    0   -1    0.4510    0.1684    0.4436    0.1639    0.0087    1
   21    1   -1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1    1   -1    0.3004    0.3413    0.2970    0.3320    0.0099    1
   23    0    2   -1    0.0324    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2    1   -3    0   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1    3   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2   -2   -1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0   -2    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6    2    2   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    1   -3   -1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1   -3    0    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9    3    1   -1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1    0    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    0   -2   -1    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12    4    0   -1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -3   -1    0    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -2   -2   -1    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15    3   -1   -1   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16   -2    0    0    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17   -1   -1   -1    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18    0   -2   -2    1.0584   -0.5118    1.0655   -0.4953    0.0180    1
   19   -3    1    0    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -2    0   -1    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    1   -1    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23    0    2   -1    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.95                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2587    1.7857    1.0887   89.9777  125.1792   90.1454      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7745    1.0932   90.0000  125.2247   90.0000      0.0000         1.1545    1.6232
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0127    0.0331    0.0159    0.0000    0.8156    0.0000      0.0000         0.0158    0.0291
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6407   -0.7152    0.1507)
 a2 = (    0.3051    0.1798   -0.4338)
 a3 = (    0.9045    0.0701    0.6633)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6377   -0.7149    0.1513) (    0.0084    0.0079    0.0055)
 a2 = (    0.3080    0.1826   -0.4351) (    0.0090    0.0037    0.0069)
 a3 = (    0.8991    0.0664    0.6642) (    0.0150    0.0113    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  168.5763   51.9780  138.8281    0.4025    0.4640    0.7213
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
             75             89
# Figure of merit at the beginning and the end of the refinement
        50.5584        50.4939
# Chi-squares at the beginning and the end of the refinement
    0.0411    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    2   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    3   -1   -1   -0.0254    0.0854   -0.0241    0.0824    0.0033    1
    4   -2    0    2   -0.1970   -0.5865   -0.1976   -0.5890    0.0026    1
    5   -2    0    1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    2    0    0   -0.1047    0.1169   -0.1046    0.1173    0.0004    1
    7   -3   -1    2    0.1187   -0.5976    0.1201   -0.5972    0.0015    1
    8   -3   -1    1    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    1    1    1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -2    1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    0    2    2   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13   -1   -3   -1    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -2   -4    0    0.5303   -0.1508    0.5323   -0.1459    0.0053    1
   15   -1    1    2   -0.3371   -0.2369   -0.3358   -0.2354    0.0020    1
   16    0   -2   -1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -1   -3    0    0.7302   -0.0826    0.7260   -0.0804    0.0048    1
   18   -2   -4    1    1.0593   -0.5183    1.0655   -0.4953    0.0238    1
   19    1   -3   -2    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20    0   -4   -1    0.4434    0.1647    0.4436    0.1639    0.0008    1
   21   -1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3   -1    0.2958    0.3323    0.2970    0.3320    0.0012    1
   23    2   -2   -1    0.0336    0.2677    0.0342    0.2676    0.0006    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2   -3    1    2   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3   -1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0    2   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5   -2    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0    0   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -3   -1    2    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -3   -1    1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1    1    1   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2   -2    1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0    2    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3   -1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -4    0    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -2   -1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17   -1   -3    0    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18   -2   -4    1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19    1   -3   -2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0   -4   -1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21   -1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -3   -1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    2   -2   -1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.97                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2616    1.7719    1.0884   89.4958  124.7027   90.7125      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7745    1.0938   90.0000  125.2690   90.0000      0.0000         1.1539    1.6223
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0111    0.0279    0.0176    0.0000    0.7110    0.0000      0.0000         0.0177    0.0343
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2619   -0.7751   -0.5102)
 a2 = (   -0.3073   -0.1884    0.4343)
 a3 = (   -0.8991   -0.0520   -0.6618)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2613   -0.7813   -0.5129) (    0.0095    0.0046    0.0042)
 a2 = (   -0.3080   -0.1826    0.4351) (    0.0078    0.0041    0.0057)
 a3 = (   -0.8991   -0.0664   -0.6642) (    0.0187    0.0107    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -34.3897  110.6556 -122.0684    0.3319    0.5861    0.5221
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
             75             89
# Figure of merit at the beginning and the end of the refinement
        33.6423        50.4939
# Chi-squares at the beginning and the end of the refinement
    0.1697    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2   -3   -1    1   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3    3    1   -2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -2    0    0   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5   -2    0    1    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6    2    0   -2   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7   -3    1    1    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8   -3    1    2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1   -1   -2   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    2    1    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12    0   -2   -2   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13   -1    3    2    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -2    4    2    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15   -1   -1   -1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    0    2    1    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17   -1    3    1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18   -2    4    1    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    1    3    1    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20    0    4    1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21   -1   -1    0   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22    1    3    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    2    2   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2   -3   -1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    1   -2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0    0   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5   -2    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0   -2   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    1    1    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -3    1    2    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1   -1   -2   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    2    1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0   -2   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3    2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    4    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    2    1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17   -1    3    1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18   -2    4    1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19    1    3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    4    1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21   -1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    3    0    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    2    2   -1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.98                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2864    1.7375    1.0842   87.3515  124.2886   91.8920      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7745    1.0932   90.0000  125.2247   90.0000      0.0000         1.1545    1.6232
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0127    0.0331    0.0159    0.0000    0.8156    0.0000      0.0000         0.0158    0.0291
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5969    0.7099   -0.1581)
 a2 = (    0.3287    0.1859   -0.4352)
 a3 = (   -0.8990   -0.0697   -0.6592)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6377    0.7149   -0.1513) (    0.0084    0.0079    0.0055)
 a2 = (    0.3080    0.1826   -0.4351) (    0.0090    0.0037    0.0069)
 a3 = (   -0.8991   -0.0664   -0.6642) (    0.0150    0.0113    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -168.5763  128.0220  -41.1719    0.4025    0.4640    0.7213
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            400             89
# Figure of merit at the beginning and the end of the refinement
         4.5372        50.4939
# Chi-squares at the beginning and the end of the refinement
    1.8828    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    5    1   -3   -0.0020   -0.1906   -0.0133   -0.1793    0.0159    1
    3   -3   -1    1   -0.0235    0.0994   -0.0241    0.0824    0.0170    1
    4    2    0   -2   -0.2166   -0.5589   -0.1976   -0.5890    0.0356    0
    5    2    0   -1    0.0439   -0.2216    0.0566   -0.2258    0.0134    1
    6   -2    0    0   -0.1097    0.1305   -0.1046    0.1173    0.0142    1
    7    3   -1   -2    0.0926   -0.5998    0.1201   -0.5972    0.0277    0
    8    3   -1   -1    0.1365   -0.2252    0.1441   -0.2219    0.0083    1
    9   -1    1   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -2   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    2   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -3    1    0.1965   -0.0065    0.1981   -0.0091    0.0030    1
   14    2   -4    0    0.5294   -0.1427    0.5323   -0.1459    0.0043    1
   15    1    1   -2   -0.3251   -0.2200   -0.3358   -0.2354    0.0187    1
   16    0   -2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3    0    0.7183   -0.0691    0.7260   -0.0804    0.0137    1
   18    2   -4   -1    1.0658   -0.4939    1.0655   -0.4953    0.0013    1
   19   -1   -3    2    0.0470    0.0302    0.0407    0.0272    0.0069    1
   20    0   -4    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1   -1   -0.0312   -0.0478   -0.0357   -0.0605    0.0135    1
   22   -1   -3    1    0.3006    0.3121    0.2970    0.3320    0.0203    1
   23   -2   -2    1    0.0532    0.2730    0.0342    0.2676    0.0198    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    3    1   -2   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3   -1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0   -2   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    2    0   -1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    0   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    3   -1   -2    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8    3   -1   -1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -1    1   -1   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -2   -1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0    2   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3    1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2   -4    0    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -2    1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    1   -3    0    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    2   -4   -1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -1   -3    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0   -4    1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -3    1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23   -2   -2    1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.114                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7650    1.2453    1.2466   89.9952  133.1186   90.1270      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7839    1.2586    1.2564   90.0000  134.8464   90.0000      0.0000         1.4199    1.0018
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0399    0.0538    0.0581    0.0000    1.2895    0.0000      0.0000         0.0441    0.0151
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1189    0.1486   -0.7525)
 a2 = (    0.1905   -0.7585   -0.1823)
 a3 = (   -0.8845   -0.0686   -0.6486)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1452    0.1467   -0.7632) (    0.0168    0.0082    0.0024)
 a2 = (    0.1888   -0.7505   -0.1802) (    0.0095    0.0331    0.0049)
 a3 = (   -0.9046   -0.0688   -0.6613) (    0.0417    0.0160    0.0042)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2202   82.5697  -74.1398    0.4308    1.2568    0.4650
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400             93
# Figure of merit at the beginning and the end of the refinement
         5.4164        50.4378
# Chi-squares at the beginning and the end of the refinement
    0.2373    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -3   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -1    3    0   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    0   -2   -1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    0   -2    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    0    2   -1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7   -1   -3    0    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8   -1   -3    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1    1   -2   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -2    1    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    2    0   -3   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -3   -1    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -4   -2    3    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    1   -1   -2   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16   -2    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1    2    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18   -4   -2    2    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19   -3    1    3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -4    0    3    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1   -1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -3    1    2    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -2    2    1    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2    1   -3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    3    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0   -2   -1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0   -2    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6    0    2   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1   -3    0    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1   -3    1    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9    1    1   -2   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1    1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2   -2    1    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12    2    0   -3   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -3   -1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -4   -2    3    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15    1   -1   -2   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16   -2    0    2    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17   -3   -1    2    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18   -4   -2    2    1.0584   -0.5118    1.0655   -0.4953    0.0180    1
   19   -3    1    3    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -4    0    3    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -3    1    2    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23   -2    2    1    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.116                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2611    1.7724    1.0901   90.5126  124.8346   89.4062      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2621    1.7745    1.0938   90.0000  125.2690   90.0000      0.0000         1.1539    1.6223
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0111    0.0279    0.0176    0.0000    0.7110    0.0000      0.0000         0.0177    0.0343
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2611    0.7768    0.5116)
 a2 = (   -0.3072   -0.1874    0.4345)
 a3 = (    0.8975    0.0551    0.6637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2613    0.7813    0.5129) (    0.0095    0.0046    0.0042)
 a2 = (   -0.3080   -0.1826    0.4351) (    0.0078    0.0041    0.0057)
 a3 = (    0.8991    0.0664    0.6642) (    0.0187    0.0107    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   34.3897   69.3444   57.9316    0.3319    0.5861    0.5221
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
             77             90
# Figure of merit at the beginning and the end of the refinement
        34.7489        50.2126
# Chi-squares at the beginning and the end of the refinement
    0.1225    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    3   -1   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -3    1    2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    2    0    0   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    2    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    0    2   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7    3    1   -1    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8    3    1   -2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -1    2   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    2   -1    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12    0   -2    2   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    1    3   -2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    2    4   -2    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    1   -1    1   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    0    2   -1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    3   -1    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    2    4   -1    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19   -1    3   -1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    0    4   -1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    1   -1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1    3    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -2    2    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    3   -1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3    1    2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0    0   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    2    0   -1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    3    1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8    3    1   -2    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -1   -1    2   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    2   -1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0   -2    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3   -2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    4   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    2   -1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    1    3   -1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    2    4   -1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -1    3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    4   -1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    3    0    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23   -2    2    1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.120                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2453    1.8209    1.0789   91.5001  125.1200   90.1165      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2609    1.7811    1.0906   90.0000  125.2558   90.0000      0.0000         1.1562    1.6332
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0123    0.0429    0.0223    0.0000    0.7877    0.0000      0.0000         0.0197    0.0387
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1328    0.9414   -0.2459)
 a2 = (    0.4423    0.0343    0.3243)
 a3 = (    0.6467    0.3658   -0.8564)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1174    0.9301   -0.2537) (    0.0103    0.0025    0.0067)
 a2 = (    0.4515    0.0336    0.3321) (    0.0129    0.0046    0.0061)
 a3 = (    0.6121    0.3626   -0.8689) (    0.0177    0.0112    0.0163)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -23.8334  139.7155   64.1856    0.6101    0.5575    0.7125
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0038      0.0024    0.0023    0.0136

# Number of computed bands
            400             93
# Figure of merit at the beginning and the end of the refinement
         5.4164        50.0168
# Chi-squares at the beginning and the end of the refinement
    0.4034    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -3    1    1   -0.0223    0.0784   -0.0241    0.0824    0.0044    1
    4    2    2   -1   -0.1843   -0.5806   -0.1976   -0.5890    0.0157    1
    5    2    0   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -2    2    1   -0.0971    0.1112   -0.1046    0.1173    0.0097    1
    7    3    1   -2    0.1244   -0.5845    0.1201   -0.5972    0.0134    1
    8    3   -1   -2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1    3    1   -0.1847    0.0474   -0.1940    0.0483    0.0094    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0   -2    0.5270   -0.5902    0.5314   -0.6143    0.0245    1
   12    0    4    1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -3   -2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -2   -3    0.5177   -0.1450    0.5323   -0.1459    0.0146    1
   15    1    3    0   -0.3295   -0.2357   -0.3358   -0.2354    0.0063    1
   16    0   -2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1   -2    0.7044   -0.0771    0.7260   -0.0804    0.0219    1
   18    2    0   -3    1.0169   -0.4770    1.0655   -0.4953    0.0519    0
   19   -1   -3   -1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -2   -2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1   -1    0.2887    0.3170    0.2970    0.3320    0.0172    1
   23   -2    0    0    0.0361    0.2561    0.0342    0.2676    0.0117    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2    3    1   -1   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -3    1    1   -0.0251    0.0854   -0.0241    0.0824    0.0032    1
    4    2    2   -1   -0.1966   -0.5871   -0.1976   -0.5890    0.0021    1
    5    2    0   -1    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6   -2    2    1   -0.1044    0.1167   -0.1046    0.1173    0.0007    1
    7    3    1   -2    0.1201   -0.5975    0.1201   -0.5972    0.0004    1
    8    3   -1   -2    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9   -1    3    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11    2    0   -2    0.5352   -0.6140    0.5314   -0.6143    0.0038    1
   12    0    4    1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13    1   -3   -2    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    2   -2   -3    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15    1    3    0   -0.3367   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2   -1    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17    1   -1   -2    0.7281   -0.0804    0.7260   -0.0804    0.0021    1
   18    2    0   -3    1.0597   -0.5114    1.0655   -0.4953    0.0171    1
   19   -1   -3   -1    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -2   -2    0.4420    0.1641    0.4436    0.1639    0.0016    1
   21    1    1    0   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -1   -1   -1    0.2953    0.3308    0.2970    0.3320    0.0020    1
   23   -2    0    0    0.0342    0.2671    0.0342    0.2676    0.0005    1

###            No.121                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2500    1.7741    1.0838   90.6055  123.6746   90.1524      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2609    1.7811    1.0917   90.0000  125.3383   90.0000      0.0000         1.1550    1.6316
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0153    0.0377    0.0193    0.0000    0.9821    0.0000      0.0000         0.0157    0.0413
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4806   -0.5641   -0.6124)
 a2 = (   -0.4537   -0.0352   -0.3327)
 a3 = (    0.5824    0.3840   -0.8619)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4947   -0.5675   -0.6151) (    0.0070    0.0083    0.0051)
 a2 = (   -0.4515   -0.0336   -0.3321) (    0.0120    0.0044    0.0045)
 a3 = (    0.6121    0.3626   -0.8689) (    0.0144    0.0168    0.0091)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -133.0700  119.9926  159.2134    0.4633    0.6526    0.5421
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0038      0.0024    0.0023    0.0136

# Number of computed bands
            400             93
# Figure of merit at the beginning and the end of the refinement
         3.3930        50.0168
# Chi-squares at the beginning and the end of the refinement
    0.2191    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1    2   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    3   -1   -2   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4   -2   -2    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5   -2    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -2   -1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -3   -1    1    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8   -3    1    1    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9    1   -3    0   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0    0    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0   -4    1   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13   -1    3   -1    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14   -2    2   -1    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15   -1   -3    1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    0    2   -1    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17   -1    1   -1    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18   -3    1   -2    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19    1    3   -2    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    0    2   -2    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21   -1   -1    1   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22    1    1   -2    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    2    0   -2    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2   -3   -1    2   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    3   -1   -2   -0.0251    0.0854   -0.0241    0.0824    0.0032    1
    4   -2   -2    1   -0.1966   -0.5871   -0.1976   -0.5890    0.0021    1
    5   -2    0    1    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6    2   -2   -1   -0.1044    0.1167   -0.1046    0.1173    0.0007    1
    7   -3   -1    1    0.1201   -0.5975    0.1201   -0.5972    0.0004    1
    8   -3    1    1    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9    1   -3    0   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    1    0    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2    0    0    0.5352   -0.6140    0.5314   -0.6143    0.0038    1
   12    0   -4    1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -1    3   -1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -2    2   -1    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15   -1   -3    1   -0.3367   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    2   -1    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1    1   -1    0.7281   -0.0804    0.7260   -0.0804    0.0021    1
   18   -2    0   -1    1.0597   -0.5114    1.0655   -0.4953    0.0171    1
   19    1    3   -2    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0    2   -2    0.4420    0.1641    0.4436    0.1639    0.0016    1
   21   -1   -1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1    1   -2    0.2953    0.3308    0.2970    0.3320    0.0020    1
   23    2    0   -2    0.0342    0.2671    0.0342    0.2676    0.0005    1

###            No.122                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2656    1.7628    1.0970   90.7555  125.1910   89.8703      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2609    1.7811    1.0906   90.0000  125.2558   90.0000      0.0000         1.1562    1.6332
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0123    0.0429    0.0223    0.0000    0.7877    0.0000      0.0000         0.0197    0.0387
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1097   -0.9253    0.2581)
 a2 = (    0.4566    0.0354    0.3348)
 a3 = (   -0.5933   -0.3576    0.8743)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1174   -0.9301    0.2537) (    0.0103    0.0025    0.0067)
 a2 = (    0.4515    0.0336    0.3321) (    0.0129    0.0046    0.0061)
 a3 = (   -0.6121   -0.3626    0.8689) (    0.0177    0.0112    0.0163)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   23.8334   40.2845 -115.8144    0.6101    0.5575    0.7125
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0038      0.0024    0.0023    0.0136

# Number of computed bands
            400             93
# Figure of merit at the beginning and the end of the refinement
         7.7680        50.0168
# Chi-squares at the beginning and the end of the refinement
    0.1059    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    3    1   -1   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4   -2    2    1   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5   -2    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2    2   -1   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7   -3    1    2    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8   -3   -1    2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    3   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0    4   -1   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13   -1   -3    2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14   -2   -2    3    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15   -1    3    0   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16    0   -2    1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17   -1   -1    2    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18   -2    0    3    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19    1   -3    1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    0   -2    2    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21   -1    1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1   -1    1    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23    2    0    0    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2   -3    1    1   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    3    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0032    1
    4   -2    2    1   -0.1966   -0.5871   -0.1976   -0.5890    0.0021    1
    5   -2    0    1    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6    2    2   -1   -0.1044    0.1167   -0.1046    0.1173    0.0007    1
    7   -3    1    2    0.1201   -0.5975    0.1201   -0.5972    0.0004    1
    8   -3   -1    2    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9    1    3   -1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1    1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2    0    2    0.5352   -0.6140    0.5314   -0.6143    0.0038    1
   12    0    4   -1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -1   -3    2    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -2   -2    3    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15   -1    3    0   -0.3367   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    1    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1   -1    2    0.7281   -0.0804    0.7260   -0.0804    0.0021    1
   18   -2    0    3    1.0597   -0.5114    1.0655   -0.4953    0.0171    1
   19    1   -3    1    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -2    2    0.4420    0.1641    0.4436    0.1639    0.0016    1
   21   -1    1    0   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -1    1    0.2953    0.3308    0.2970    0.3320    0.0020    1
   23    2    0    0    0.0342    0.2671    0.0342    0.2676    0.0005    1

###            No.126                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7801    1.2592    1.2599   90.0105  134.9053   90.1124      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7859    1.2615    1.2578   90.0000  135.1073   90.0000      0.0000         1.4198    1.0029
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0505    0.0493    0.0544    0.0000    1.6147    0.0000      0.0000         0.0288    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1471   -0.1447    0.7659)
 a2 = (   -0.1884    0.7501    0.1803)
 a3 = (   -0.6101   -0.3595    0.8686)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1416   -0.1492    0.7662) (    0.0140    0.0072    0.0020)
 a2 = (   -0.1885    0.7485    0.1806) (    0.0090    0.0301    0.0048)
 a3 = (   -0.6166   -0.3650    0.8692) (    0.0347    0.0071    0.0059)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.7266   82.8869  -74.1907    0.3987    1.0296    0.4405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
             73             91
# Figure of merit at the beginning and the end of the refinement
        47.9565        49.9764
# Chi-squares at the beginning and the end of the refinement
    0.0533    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    3   -1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    1   -3    0   -0.0257    0.0863   -0.0241    0.0824    0.0041    1
    4    2    2   -1   -0.1968   -0.5859   -0.1976   -0.5890    0.0032    1
    5    0    2    0    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2   -2   -1   -0.1051    0.1173   -0.1046    0.1173    0.0005    1
    7    1    3    0    0.1186   -0.5971    0.1201   -0.5972    0.0015    1
    8   -1    3    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    3   -1   -2   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0    2    1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    4    0   -3   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13   -3    1    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    2    3    0.5307   -0.1509    0.5323   -0.1459    0.0052    1
   15    3    1   -2   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16   -2    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1    2    0.7309   -0.0827    0.7260   -0.0804    0.0054    1
   18    0    2    2    1.0599   -0.5185    1.0655   -0.4953    0.0240    1
   19   -3   -1    3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -2    0    3    0.4443    0.1650    0.4436    0.1639    0.0014    1
   21    1    1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1   -1    2    0.2966    0.3333    0.2970    0.3320    0.0013    1
   23    0   -2    1    0.0337    0.2689    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -3    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    2    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    2   -2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3    0    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    3   -1   -2   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    2    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    4    0   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    2    3    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    3    1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -2    0    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    1    2    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    0    2    2    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19   -3   -1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    0    3    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1   -1    2    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    0   -2    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.127                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7793    1.2611    1.2561   90.2501  134.7927   89.9435      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7755    1.2615    1.2578   90.0000  134.7723   90.0000      0.0000         1.4116    1.0029
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0359    0.0493    0.0544    0.0000    1.1677    0.0000      0.0000         0.0400    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1435    0.1454   -0.7652)
 a2 = (    0.1847   -0.7500   -0.1796)
 a3 = (   -0.9029   -0.0700   -0.6621)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1416    0.1492   -0.7662) (    0.0140    0.0072    0.0020)
 a2 = (    0.1885   -0.7485   -0.1806) (    0.0090    0.0301    0.0048)
 a3 = (   -0.8999   -0.0666   -0.6633) (    0.0381    0.0150    0.0042)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2734   82.8869  -74.1907    0.3987    1.0296    0.4405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
             81             91
# Figure of merit at the beginning and the end of the refinement
        42.9605        49.9764
# Chi-squares at the beginning and the end of the refinement
    0.0777    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -3   -1   -0.0146   -0.1755   -0.0133   -0.1793    0.0040    1
    3   -1    3    0   -0.0254    0.0871   -0.0241    0.0824    0.0049    1
    4    0   -2   -1   -0.1982   -0.5832   -0.1976   -0.5890    0.0058    1
    5    0   -2    0    0.0556   -0.2258    0.0566   -0.2258    0.0009    1
    6    0    2   -1   -0.1052    0.1182   -0.1046    0.1173    0.0011    1
    7   -1   -3    0    0.1165   -0.5969    0.1201   -0.5972    0.0036    1
    8   -1   -3    1    0.1438   -0.2226    0.1441   -0.2219    0.0008    1
    9    1    1   -2   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -2    1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    2    0   -3   -0.1806   -0.0373   -0.1815   -0.0378    0.0011    1
   13   -3   -1    3    0.1981   -0.0083    0.1981   -0.0091    0.0008    1
   14   -4   -2    3    0.5300   -0.1499    0.5323   -0.1459    0.0046    1
   15    1   -1   -2   -0.3353   -0.2349   -0.3358   -0.2354    0.0007    1
   16   -2    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1    2    0.7286   -0.0811    0.7260   -0.0804    0.0027    1
   18   -4   -2    2    1.0586   -0.5144    1.0655   -0.4953    0.0204    1
   19   -3    1    3    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20   -4    0    3    0.4424    0.1640    0.4436    0.1639    0.0012    1
   21    1   -1   -1   -0.0348   -0.0585   -0.0357   -0.0605    0.0022    1
   22   -3    1    2    0.2968    0.3305    0.2970    0.3320    0.0015    1
   23   -2    2    1    0.0356    0.2688    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    3    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0   -2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -3    0    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    1   -2   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2   -2    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    2    0   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3   -1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -4   -2    3    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -2    0    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -3   -1    2    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -4   -2    2    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19   -3    1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -4    0    3    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -3    1    2    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -2    2    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.132                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7754    1.2604    1.2591   90.1273  134.7775   89.8832      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7755    1.2615    1.2578   90.0000  134.7723   90.0000      0.0000         1.4116    1.0029
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0359    0.0493    0.0544    0.0000    1.1677    0.0000      0.0000         0.0400    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1407   -0.1495    0.7665)
 a2 = (    0.1896   -0.7488   -0.1814)
 a3 = (    0.8983    0.0654    0.6637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1416   -0.1492    0.7662) (    0.0140    0.0072    0.0020)
 a2 = (    0.1885   -0.7485   -0.1806) (    0.0090    0.0301    0.0048)
 a3 = (    0.8999    0.0666    0.6633) (    0.0381    0.0150    0.0042)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2734   97.1131  105.8093    0.3987    1.0296    0.4405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
             95             91
# Figure of merit at the beginning and the end of the refinement
        42.4242        49.9764
# Chi-squares at the beginning and the end of the refinement
    0.0262    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2   -1   -3    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1    3    0   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    0   -2    1   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5    0   -2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    0    2    1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    1   -3    0    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8    1   -3   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    1    2   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10    1   -1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    2   -2   -1    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12   -2    0    3   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13    3   -1   -3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    4   -2   -3    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15   -1   -1    2   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16    2    0   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3   -1   -2    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18    4   -2   -2    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19    3    1   -3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    4    0   -3    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21   -1   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    3    1   -2    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23    2    2   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -3    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    3    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0   -2    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -3    0    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -3   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    1    2   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1   -1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -2   -1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -2    0    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3   -1   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    4   -2   -3    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1    2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    2    0   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    3   -1   -2    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    4   -2   -2    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    3    1   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    4    0   -3    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -1   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    3    1   -2    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    2    2   -1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.135                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7724    1.2611    1.2571   89.2222  134.6195   90.5938      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7755    1.2615    1.2605   90.0000  134.8934   90.0000      0.0000         1.4086    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0502    0.0187    0.0544    0.0000    1.6260    0.0000      0.0000         0.0285    0.0390
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7560    0.2150   -0.1027)
 a2 = (   -0.1877    0.7492    0.1798)
 a3 = (    0.8975    0.0551    0.6637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7582    0.2158   -0.1029) (    0.0017    0.0045    0.0062)
 a2 = (   -0.1885    0.7485    0.1806) (    0.0053    0.0108    0.0067)
 a3 = (    0.8999    0.0666    0.6633) (    0.0145    0.0126    0.0288)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -29.6066   15.1914   44.6260    1.2640    0.5077    1.3411
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
             77             91
# Figure of merit at the beginning and the end of the refinement
        34.7489        49.9764
# Chi-squares at the beginning and the end of the refinement
    0.0392    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2    1    3    0   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -1   -3    1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    0    2    1   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5    0    2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -2    1   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7   -1    3    1    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8   -1    3    0    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1   -1    1   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    2    1    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12    2    0    1   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13   -3    1    0    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14   -4    2    1    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15    1    1    1   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16   -2    0    0    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17   -3    1    1    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18   -4    2    2    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19   -3   -1    0    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20   -4    0    1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    1    1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -3   -1    1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -2   -2    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3    0   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -3    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    2    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    3    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    3    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -1    1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    2    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    2    0    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    1    0    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -4    2    1    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -2    0    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -3    1    1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -4    2    2    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19   -3   -1    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -4    0    1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -3   -1    1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -2   -2    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.151                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2576    1.7852    1.0901   90.1450  125.1910   90.1304      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2622    1.7858    1.0887   90.0000  125.4095   90.0000      0.0000         1.1593    1.6403
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0112    0.0410    0.0209    0.0000    0.7149    0.0000      0.0000         0.0177    0.0330
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1191    0.9319   -0.2533)
 a2 = (    0.4508    0.0349    0.3306)
 a3 = (    0.6145    0.3612   -0.8672)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1195    0.9306   -0.2544) (    0.0094    0.0024    0.0066)
 a2 = (    0.4497    0.0330    0.3321) (    0.0119    0.0044    0.0061)
 a3 = (    0.6159    0.3651   -0.8703) (    0.0149    0.0100    0.0159)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -23.8110  139.5930   64.1103    0.6073    0.4603    0.6943
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
             85             93
# Figure of merit at the beginning and the end of the refinement
        48.7903        49.4638
# Chi-squares at the beginning and the end of the refinement
    0.0423    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -3    1    1   -0.0253    0.0856   -0.0241    0.0824    0.0034    1
    4    2    2   -1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    2    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    2    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3    1   -2    0.1189   -0.5953    0.1201   -0.5972    0.0022    1
    8    3   -1   -2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1    3    1   -0.1923    0.0485   -0.1940    0.0483    0.0018    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0   -2    0.5325   -0.6134    0.5314   -0.6143    0.0014    1
   12    0    4    1   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13    1   -3   -2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    2   -2   -3    0.5294   -0.1500    0.5323   -0.1459    0.0050    1
   15    1    3    0   -0.3354   -0.2363   -0.3358   -0.2354    0.0010    1
   16    0   -2   -1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1   -1   -2    0.7280   -0.0814    0.7260   -0.0804    0.0023    1
   18    2    0   -3    1.0557   -0.5130    1.0655   -0.4953    0.0203    1
   19   -1   -3   -1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    0   -2   -2    0.4425    0.1646    0.4436    0.1639    0.0013    1
   21    1    1    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1   -1   -1    0.2954    0.3313    0.2970    0.3320    0.0017    1
   23   -2    0    0    0.0342    0.2675    0.0342    0.2676    0.0002    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2    3    1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -3    1    1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    2    2   -1   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5    2    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -2    2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3    1   -2    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3   -1   -2    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0   -2    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0    4    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3   -2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2   -2   -3    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15    1    3    0   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    1   -1   -2    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18    2    0   -3    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19   -1   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -1   -1    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23   -2    0    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.153                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2604    1.7876    1.0876   89.9209  125.2935   90.0633      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2622    1.7858    1.0887   90.0000  125.4095   90.0000      0.0000         1.1593    1.6403
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0112    0.0410    0.0209    0.0000    0.7149    0.0000      0.0000         0.0177    0.0330
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1188   -0.9310    0.2532)
 a2 = (    0.4492    0.0327    0.3318)
 a3 = (   -0.6169   -0.3644    0.8693)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1195   -0.9306    0.2544) (    0.0094    0.0024    0.0066)
 a2 = (    0.4497    0.0330    0.3321) (    0.0119    0.0044    0.0061)
 a3 = (   -0.6159   -0.3651    0.8703) (    0.0149    0.0100    0.0159)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   23.8110   40.4070 -115.8897    0.6073    0.4603    0.6943
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
             95             93
# Figure of merit at the beginning and the end of the refinement
        42.4242        49.4638
# Chi-squares at the beginning and the end of the refinement
    0.0295    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2   -3    1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    3    1   -1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4   -2    2    1   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5   -2    0    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    2    2   -1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -3    1    2    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8   -3   -1    2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1    3   -1   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10   -1   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -2    0    2    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12    0    4   -1   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -1   -3    2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -2   -2    3    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15   -1    3    0   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16    0   -2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    2    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18   -2    0    3    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19    1   -3    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    0   -2    2    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -1    1    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23    2    0    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2   -3    1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3    3    1   -1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    2    1   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5   -2    0    1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    2    2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    1    2    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1    2    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    1    3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    0    2    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0    4   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3    2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -2    3    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15   -1    3    0   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2    1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -1   -1    2    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18   -2    0    3    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19    1   -3    1    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -1    1    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    2    0    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.158                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2611    1.7828    1.0899   90.4167  125.2896   89.7040      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2622    1.7858    1.0890   90.0000  125.4325   90.0000      0.0000         1.1590    1.6398
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0142    0.0337    0.0181    0.0000    0.9048    0.0000      0.0000         0.0137    0.0378
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4927    0.5696    0.6137)
 a2 = (   -0.4515   -0.0350   -0.3311)
 a3 = (   -0.6160   -0.3609    0.8682)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4964    0.5654    0.6159) (    0.0057    0.0069    0.0048)
 a2 = (   -0.4497   -0.0330   -0.3321) (    0.0104    0.0042    0.0043)
 a3 = (   -0.6159   -0.3651    0.8703) (    0.0119    0.0155    0.0086)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  133.1148   60.1921  -20.7544    0.4283    0.5211    0.5373
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
             81             93
# Figure of merit at the beginning and the end of the refinement
        42.9605        49.4638
# Chi-squares at the beginning and the end of the refinement
    0.0815    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -1   -2   -0.0146   -0.1755   -0.0133   -0.1793    0.0040    1
    3   -3   -1    2   -0.0254    0.0871   -0.0241    0.0824    0.0049    1
    4    2   -2   -1   -0.1982   -0.5832   -0.1976   -0.5890    0.0058    1
    5    2    0   -1    0.0556   -0.2258    0.0566   -0.2258    0.0009    1
    6   -2   -2    1   -0.1052    0.1182   -0.1046    0.1173    0.0011    1
    7    3   -1   -1    0.1165   -0.5969    0.1201   -0.5972    0.0036    1
    8    3    1   -1    0.1438   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1   -3    0   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0    0    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    0   -4   -1   -0.1806   -0.0373   -0.1815   -0.0378    0.0011    1
   13    1    3    1    0.1981   -0.0083    0.1981   -0.0091    0.0008    1
   14    2    2    1    0.5300   -0.1499    0.5323   -0.1459    0.0046    1
   15    1   -3   -1   -0.3353   -0.2349   -0.3358   -0.2354    0.0007    1
   16    0    2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1    1    0.7286   -0.0811    0.7260   -0.0804    0.0027    1
   18    2    0    1    1.0586   -0.5144    1.0655   -0.4953    0.0204    1
   19   -1    3    2    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    0    2    2    0.4424    0.1640    0.4436    0.1639    0.0012    1
   21    1   -1   -1   -0.0348   -0.0585   -0.0357   -0.0605    0.0022    1
   22   -1    1    2    0.2968    0.3305    0.2970    0.3320    0.0015    1
   23   -2    0    2    0.0356    0.2688    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2    3   -1   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -3   -1    2   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    2   -2   -1   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5    2    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -2   -2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3   -1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1   -1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1   -3    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0    0    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0   -4   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3    1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    2    1    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15    1   -3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2    1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    1    1    1    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18    2    0    1    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19   -1    3    2    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    2    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    1    2    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23   -2    0    2    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.167                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2864    1.7927    1.0637   87.2389  125.2896   92.0732      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2622    1.7858    1.0890   90.0000  125.4325   90.0000      0.0000         1.1590    1.6398
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0142    0.0337    0.0181    0.0000    0.9048    0.0000      0.0000         0.0137    0.0378
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4761   -0.5589   -0.6067)
 a2 = (   -0.4495   -0.0348   -0.3296)
 a3 = (    0.6573    0.3718   -0.8704)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4964   -0.5654   -0.6159) (    0.0057    0.0069    0.0048)
 a2 = (   -0.4497   -0.0330   -0.3321) (    0.0104    0.0042    0.0043)
 a3 = (    0.6159    0.3651   -0.8703) (    0.0119    0.0155    0.0086)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -133.1148  119.8079  159.2456    0.4283    0.5211    0.5373
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            400             93
# Figure of merit at the beginning and the end of the refinement
         4.5372        49.4638
# Chi-squares at the beginning and the end of the refinement
    2.4837    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -5   -1    3   -0.0020   -0.1906   -0.0133   -0.1793    0.0159    1
    3    3   -1   -2   -0.0235    0.0994   -0.0241    0.0824    0.0170    1
    4   -2   -2    1   -0.2166   -0.5589   -0.1976   -0.5890    0.0356    0
    5   -2    0    1    0.0439   -0.2216    0.0566   -0.2258    0.0134    1
    6    2   -2   -1   -0.1097    0.1305   -0.1046    0.1173    0.0142    1
    7   -3   -1    1    0.0926   -0.5998    0.1201   -0.5972    0.0277    0
    8   -3    1    1    0.1365   -0.2252    0.1441   -0.2219    0.0083    1
    9    1   -3    0   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0    0    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    0   -4    1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1    3   -1    0.1965   -0.0065    0.1981   -0.0091    0.0030    1
   14   -2    2   -1    0.5294   -0.1427    0.5323   -0.1459    0.0043    1
   15   -1   -3    1   -0.3251   -0.2200   -0.3358   -0.2354    0.0187    1
   16    0    2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1   -1    0.7183   -0.0691    0.7260   -0.0804    0.0137    1
   18   -2    0   -1    1.0658   -0.4939    1.0655   -0.4953    0.0013    1
   19    1    3   -2    0.0470    0.0302    0.0407    0.0272    0.0069    1
   20    0    2   -2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1   -1    1   -0.0312   -0.0478   -0.0357   -0.0605    0.0135    1
   22    1    1   -2    0.3006    0.3121    0.2970    0.3320    0.0203    1
   23    2    0   -2    0.0532    0.2730    0.0342    0.2676    0.0198    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2   -3   -1    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3    3   -1   -2   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4   -2   -2    1   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5   -2    0    1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    2   -2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1    1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    1   -3    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    0    0    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0   -4    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3   -1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    2   -1    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15   -1   -3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -1    1   -1    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18   -2    0   -1    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19    1    3   -2    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    2   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    1   -2    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    2    0   -2    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.177                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7719    1.2616    1.2580   91.0097  134.6580   89.2875      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7755    1.2615    1.2605   90.0000  134.8934   90.0000      0.0000         1.4086    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0502    0.0187    0.0544    0.0000    1.6260    0.0000      0.0000         0.0285    0.0390
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7569   -0.2144    0.1034)
 a2 = (   -0.1876    0.7491    0.1793)
 a3 = (   -0.8991   -0.0520   -0.6618)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7582   -0.2158    0.1029) (    0.0017    0.0045    0.0062)
 a2 = (   -0.1885    0.7485    0.1806) (    0.0053    0.0108    0.0067)
 a3 = (   -0.8999   -0.0666   -0.6633) (    0.0145    0.0126    0.0288)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.6066  164.8086 -135.3740    1.2640    0.5077    1.3411
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
             75             93
# Figure of merit at the beginning and the end of the refinement
        33.6423        49.4361
# Chi-squares at the beginning and the end of the refinement
    0.0386    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2   -1    3    0   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3    1   -3   -1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    0    2   -1   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    0    2    0    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6    0   -2   -1   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7    1    3   -1    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8    1    3    0    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1   -1   -1   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    2   -1    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12   -2    0   -1   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13    3    1    0    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14    4    2   -1    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15   -1    1   -1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    2    0    0    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17    3    1   -1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18    4    2   -2    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    3   -1    0    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20    4    0   -1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21   -1    1    0   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22    3   -1   -1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    2   -2   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    3    0   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -3   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    2   -1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -2    0   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3    1    0    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    4    2   -1    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    2    0    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    3    1   -1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    4    2   -2    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    3   -1    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    4    0   -1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    3   -1   -1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    2   -2   -1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.178                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2627    1.7838    1.0892   90.0695  125.3852   90.1995      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2668    1.7782    1.0941   90.0000  125.7601   90.0000      0.0000         1.1578    1.6252
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0276    0.0455    0.0198    0.0000    1.7310    0.0000      0.0000         0.0303    0.0336
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1439   -0.6281    0.7269)
 a2 = (   -0.4721    0.2673    0.1413)
 a3 = (   -0.5748   -0.9654   -0.0765)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1433   -0.6347    0.7231) (    0.0186    0.0128    0.0147)
 a2 = (   -0.4741    0.2677    0.1410) (    0.0127    0.0081    0.0032)
 a3 = (   -0.5699   -0.9684   -0.0775) (    0.0164    0.0254    0.0070)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   71.3602  128.3264  -41.2668    0.3712    1.4853    0.5951
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
             81             87
# Figure of merit at the beginning and the end of the refinement
        42.9605        49.3399
# Chi-squares at the beginning and the end of the refinement
    0.0765    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    2   -2   -0.0146   -0.1755   -0.0133   -0.1793    0.0040    1
    3    1   -3    1   -0.0254    0.0871   -0.0241    0.0824    0.0049    1
    4    1    1   -2   -0.1982   -0.5832   -0.1976   -0.5890    0.0058    1
    5    0    2   -1    0.0556   -0.2258    0.0566   -0.2258    0.0009    1
    6    1   -3    0   -0.1052    0.1182   -0.1046    0.1173    0.0011    1
    7    1    3   -2    0.1165   -0.5969    0.1201   -0.5972    0.0036    1
    8    0    4   -1    0.1438   -0.2226    0.1441   -0.2219    0.0008    1
    9    1   -3   -1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3   -1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    1   -3   -2   -0.1806   -0.0373   -0.1815   -0.0378    0.0011    1
   13    0    4    1    0.1981   -0.0083    0.1981   -0.0091    0.0008    1
   14    1    5    0    0.5300   -0.1499    0.5323   -0.1459    0.0046    1
   15    1   -1   -2   -0.3353   -0.2349   -0.3358   -0.2354    0.0007    1
   16    0    2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3    0    0.7286   -0.0811    0.7260   -0.0804    0.0027    1
   18    2    4   -1    1.0586   -0.5144    1.0655   -0.4953    0.0204    1
   19    0    2    2    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    1    3    1    0.4424    0.1640    0.4436    0.1639    0.0012    1
   21    0    0   -1   -0.0348   -0.0585   -0.0357   -0.0605    0.0022    1
   22    1    1    1    0.2968    0.3305    0.2970    0.3320    0.0015    1
   23    1   -1    1    0.0356    0.2688    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    0    2   -2   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -3    1   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4    1    1   -2   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    0    2   -1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    1   -3    0   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    1    3   -2    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    0    4   -1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9    1   -3   -1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    1    3   -1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12    1   -3   -2   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0    4    1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1    5    0    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15    1   -1   -2   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    0    2    1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17    1    3    0    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    2    4   -1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    0    2    2    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20    1    3    1    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    0    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22    1    1    1    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23    1   -1    1    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.180                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2580    1.7832    1.0812   89.8615  124.4501   90.3101      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2668    1.7782    1.0872   90.0000  125.2481   90.0000      0.0000         1.1652    1.6356
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0169    0.0578    0.0324    0.0000    1.0836    0.0000      0.0000         0.0413    0.0285
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4269    0.3194    0.8032)
 a2 = (    0.4722   -0.2674   -0.1414)
 a3 = (    0.5692    0.9635    0.0759)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4266    0.3337    0.8006) (    0.0046    0.0177    0.0087)
 a2 = (    0.4741   -0.2677   -0.1410) (    0.0159    0.0102    0.0030)
 a3 = (    0.5699    0.9684    0.0775) (    0.0214    0.0346    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  106.8419  120.0704  159.1728    0.3905    1.1531    0.4287
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
             75             87
# Figure of merit at the beginning and the end of the refinement
        33.6423        49.3399
# Chi-squares at the beginning and the end of the refinement
    0.1100    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2    0   -2    2   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3    1    3   -2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1   -1    1   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    0   -2    1    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6    1    3   -1   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7    1   -3    1    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8    0   -4    1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1    3    0   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3    0    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12    1    3    1   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13    0   -4   -1    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14    1   -5   -1    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15    1    1    1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    0   -2   -1    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17    1   -3   -1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18    2   -4   -1    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    0   -2   -2    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20    1   -3   -2    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    0    1   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22    1   -1   -2    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    1    1   -2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    0   -2    2   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1    3   -2   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4    1   -1    1   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    0   -2    1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    1    3   -1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    1   -3    1    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    0   -4    1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9    1    3    0   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0   -2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    1   -3    0    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12    1    3    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0   -4   -1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1   -5   -1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15    1    1    1   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    0   -2   -1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17    1   -3   -1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    2   -4   -1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    0   -2   -2    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20    1   -3   -2    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22    1   -1   -2    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23    1    1   -2    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.182                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2618    1.7787    1.0901   89.4731  125.1591   90.8347      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2668    1.7782    1.0872   90.0000  125.2481   90.0000      0.0000         1.1652    1.6356
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0169    0.0578    0.0324    0.0000    1.0836    0.0000      0.0000         0.0413    0.0285
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4189   -0.3369   -0.8068)
 a2 = (    0.4739   -0.2671   -0.1422)
 a3 = (   -0.5684   -0.9642   -0.0786)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4266   -0.3337   -0.8006) (    0.0046    0.0177    0.0087)
 a2 = (    0.4741   -0.2677   -0.1410) (    0.0159    0.0102    0.0030)
 a3 = (   -0.5699   -0.9684   -0.0775) (    0.0214    0.0346    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -106.8419   59.9296  -20.8272    0.3905    1.1531    0.4287
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
             95             87
# Figure of merit at the beginning and the end of the refinement
        36.0330        49.3399
# Chi-squares at the beginning and the end of the refinement
    0.2023    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7399   -0.0578   -0.7289   -0.0565    0.0110    1
    2    0   -2   -2   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1    3    2   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4   -1   -1   -1   -0.1937   -0.5919   -0.1976   -0.5890    0.0048    1
    5    0   -2   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    3    1   -0.1048    0.1177   -0.1046    0.1173    0.0005    1
    7   -1   -3   -1    0.1237   -0.5985    0.1201   -0.5972    0.0038    1
    8    0   -4   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    3    0   -0.1942    0.0490   -0.1940    0.0483    0.0007    1
   10    0   -2    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1   -3    0    0.5375   -0.6100    0.5314   -0.6143    0.0074    1
   12   -1    3   -1   -0.1826   -0.0379   -0.1815   -0.0378    0.0011    1
   13    0   -4    1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -1   -5    1    0.5295   -0.1488    0.5323   -0.1459    0.0041    1
   15   -1    1   -1   -0.3389   -0.2398   -0.3358   -0.2354    0.0054    1
   16    0   -2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3    1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -2   -4    1    1.0527   -0.5035    1.0655   -0.4953    0.0152    1
   19    0   -2    2    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -1   -3    2    0.4425    0.1635    0.4436    0.1639    0.0011    1
   21    0    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -1    2    0.2972    0.3303    0.2970    0.3320    0.0017    1
   23   -1    1    2    0.0352    0.2683    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    0   -2   -2   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1    3    2   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -1   -1   -1   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    0   -2   -1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1    3    1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7   -1   -3   -1    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    0   -4   -1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1    3    0   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0   -2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1   -3    0    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12   -1    3   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0   -4    1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1   -5    1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -1    1   -1   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    0   -2    1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1   -3    1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18   -2   -4    1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    0   -2    2    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -1   -3    2    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    0    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -1   -1    2    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -1    1    2    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.190                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2608    1.7810    1.0892   90.0349  125.1398   89.9848      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2668    1.7782    1.0941   90.0000  125.7601   90.0000      0.0000         1.1578    1.6252
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0276    0.0455    0.0198    0.0000    1.7310    0.0000      0.0000         0.0303    0.0336
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1373    0.6271   -0.7271)
 a2 = (   -0.4728    0.2677    0.1415)
 a3 = (    0.5688    0.9649    0.0776)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1433    0.6347   -0.7231) (    0.0186    0.0128    0.0147)
 a2 = (   -0.4741    0.2677    0.1410) (    0.0127    0.0081    0.0032)
 a3 = (    0.5699    0.9684    0.0775) (    0.0164    0.0254    0.0070)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -71.3602   51.6736  138.7332    0.3712    1.4853    0.5951
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
             73             88
# Figure of merit at the beginning and the end of the refinement
        47.9565        49.0587
# Chi-squares at the beginning and the end of the refinement
    0.0403    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    2    2   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3   -1   -3   -1   -0.0257    0.0863   -0.0241    0.0824    0.0041    1
    4   -1    1    2   -0.1968   -0.5859   -0.1976   -0.5890    0.0032    1
    5    0    2    1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6   -1   -3    0   -0.1051    0.1173   -0.1046    0.1173    0.0005    1
    7   -1    3    2    0.1186   -0.5971    0.1201   -0.5972    0.0015    1
    8    0    4    1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9   -1   -3    1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12   -1   -3    2   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13    0    4   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1    5    0    0.5307   -0.1509    0.5323   -0.1459    0.0052    1
   15   -1   -1    2   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16    0    2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    3    0    0.7309   -0.0827    0.7260   -0.0804    0.0054    1
   18   -2    4    1    1.0599   -0.5185    1.0655   -0.4953    0.0240    1
   19    0    2   -2    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -1    3   -1    0.4443    0.1650    0.4436    0.1639    0.0014    1
   21    0    0    1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -1    1   -1    0.2966    0.3333    0.2970    0.3320    0.0013    1
   23   -1   -1   -1    0.0337    0.2689    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    0    2    2   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -3   -1   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -1    1    2   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    0    2    1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1   -3    0   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7   -1    3    2    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    0    4    1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1   -3    1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1    3    1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12   -1   -3    2   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0    4   -1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1    5    0    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -1   -1    2   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    0    2   -1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1    3    0    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18   -2    4    1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    0    2   -2    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -1    3   -1    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -1    1   -1    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -1   -1   -1    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.195                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2571    1.7982    1.0822   90.1860  125.1565   90.3470      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2566    1.7836    1.0903   90.0000  125.0644   90.0000      0.0000         1.1525    1.6359
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0105    0.0296    0.0180    0.0000    0.6789    0.0000      0.0000         0.0167    0.0325
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7321    0.5225    0.3711)
 a2 = (   -0.1620    0.4446   -0.2922)
 a3 = (   -0.0537    0.6145    0.9470)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7366    0.5154    0.3703) (    0.0059    0.0061    0.0066)
 a2 = (   -0.1667    0.4484   -0.2924) (    0.0046    0.0089    0.0039)
 a3 = (   -0.0452    0.5998    0.9455) (    0.0126    0.0108    0.0141)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  143.8612   40.2271 -115.8809    0.5793    0.4710    0.6991
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
             89             95
# Figure of merit at the beginning and the end of the refinement
        28.7511        48.9833
# Chi-squares at the beginning and the end of the refinement
    0.0750    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7362   -0.0642   -0.7289   -0.0565    0.0106    1
    2    1    3    1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3    0   -4   -1   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1    1   -0.1914   -0.5862   -0.1976   -0.5890    0.0069    1
    5    0    2    1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    1   -3   -1   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7    0    2    2    0.1209   -0.5936    0.1201   -0.5972    0.0036    1
    8   -1    3    2    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    2   -2   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    2    0.5294   -0.6086    0.5314   -0.6143    0.0060    1
   12    3   -1   -1   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -3    1    2    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -3    1    3    0.5267   -0.1507    0.5323   -0.1459    0.0073    1
   15    2    0    0   -0.3358   -0.2397   -0.3358   -0.2354    0.0043    1
   16   -2    0    1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -2    0    2    0.7231   -0.0847    0.7260   -0.0804    0.0052    1
   18   -2    0    3    1.0403   -0.5112    1.0655   -0.4953    0.0298    1
   19   -3   -1    1    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -3   -1    2    0.4419    0.1616    0.4436    0.1639    0.0028    1
   21    1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2   -2    1    0.2975    0.3289    0.2970    0.3320    0.0031    1
   23   -1   -3    0    0.0355    0.2676    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2    1    3    1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0   -4   -1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4    1    1    1   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    0    2    1    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6    1   -3   -1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    0    2    2    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8   -1    3    2    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9    2   -2   -1   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10   -1    1    1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11   -1    1    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    3   -1   -1   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -3    1    2    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14   -3    1    3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15    2    0    0   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16   -2    0    1    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17   -2    0    2    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18   -2    0    3    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19   -3   -1    1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20   -3   -1    2    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21    1    1    0   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22   -2   -2    1    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23   -1   -3    0    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.197                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2599    1.7845    1.0892   89.9955  125.2373   90.1117      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2566    1.7836    1.0925   90.0000  125.2293   90.0000      0.0000         1.1502    1.6326
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0125    0.0335    0.0160    0.0000    0.8088    0.0000      0.0000         0.0141    0.0278
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7779   -0.0880   -0.5758)
 a2 = (    0.1678   -0.4474    0.2928)
 a3 = (    0.0413   -0.6055   -0.9462)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7818   -0.0844   -0.5752) (    0.0046    0.0079    0.0059)
 a2 = (    0.1667   -0.4484    0.2924) (    0.0054    0.0097    0.0039)
 a3 = (    0.0452   -0.5998   -0.9455) (    0.0120    0.0114    0.0112)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -48.5402  128.0253  -41.0497    0.4882    0.4964    0.5098
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
             73             95
# Figure of merit at the beginning and the end of the refinement
        47.9565        48.9833
# Chi-squares at the beginning and the end of the refinement
    0.0450    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -3   -2   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    0    4    1   -0.0257    0.0863   -0.0241    0.0824    0.0041    1
    4    1   -1   -2   -0.1968   -0.5859   -0.1976   -0.5890    0.0032    1
    5    0   -2   -1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1    3    0   -0.1051    0.1173   -0.1046    0.1173    0.0005    1
    7    0   -2   -2    0.1186   -0.5971    0.1201   -0.5972    0.0015    1
    8   -1   -3   -1    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    2    2   -1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1   -1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    3    1   -2   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13   -3   -1    1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -3   -1    0    0.5307   -0.1509    0.5323   -0.1459    0.0052    1
   15    2    0   -2   -0.3366   -0.2365   -0.3358   -0.2354    0.0014    1
   16   -2    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    0    0    0.7309   -0.0827    0.7260   -0.0804    0.0054    1
   18   -2    0   -1    1.0599   -0.5185    1.0655   -0.4953    0.0240    1
   19   -3    1    2    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -3    1    1    0.4443    0.1650    0.4436    0.1639    0.0014    1
   21    1   -1   -1   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22   -2    2    1    0.2966    0.3333    0.2970    0.3320    0.0013    1
   23   -1    3    1    0.0337    0.2689    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2    1   -3   -2   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0    4    1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4    1   -1   -2   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    0   -2   -1    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6    1    3    0   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    0   -2   -2    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8   -1   -3   -1    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9    2    2   -1   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10   -1   -1    0    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11   -1   -1   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    3    1   -2   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -3   -1    1    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14   -3   -1    0    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15    2    0   -2   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16   -2    0    1    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17   -2    0    0    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18   -2    0   -1    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19   -3    1    2    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20   -3    1    1    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21    1   -1   -1   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22   -2    2    1    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23   -1    3    1    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.205                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2591    1.7829    1.0876   90.1114  125.0024   89.8123      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2566    1.7836    1.0903   90.0000  125.0644   90.0000      0.0000         1.1525    1.6359
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0105    0.0296    0.0180    0.0000    0.6789    0.0000      0.0000         0.0167    0.0325
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7332   -0.5145   -0.3711)
 a2 = (   -0.1652    0.4491   -0.2925)
 a3 = (    0.0489   -0.5993   -0.9479)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7366   -0.5154   -0.3703) (    0.0059    0.0061    0.0066)
 a2 = (   -0.1667    0.4484   -0.2924) (    0.0046    0.0089    0.0039)
 a3 = (    0.0452   -0.5998   -0.9455) (    0.0126    0.0108    0.0141)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -143.8612  139.7729   64.1191    0.5793    0.4710    0.6991
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
             95             95
# Figure of merit at the beginning and the end of the refinement
        42.4242        48.9833
# Chi-squares at the beginning and the end of the refinement
    0.0270    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2   -1    3   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -4    1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1   -1   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5    0    2   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -3    1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    0    2   -2    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8    1    3   -2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2   -2    1   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10    1    1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    1   -2    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12   -3   -1    1   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13    3    1   -2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    1   -3    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15   -2    0    0   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16    2    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    0   -2    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18    2    0   -3    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19    3   -1   -1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3   -1   -2    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -2   -1    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23    1   -3    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -1    3   -1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0   -4    1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4   -1    1   -1   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    0    2   -1    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6   -1   -3    1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    0    2   -2    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8    1    3   -2    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9   -2   -2    1   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    1    1   -1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11    1    1   -2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -3   -1    1   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13    3    1   -2    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14    3    1   -3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15   -2    0    0   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16    2    0   -1    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17    2    0   -2    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18    2    0   -3    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19    3   -1   -1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20    3   -1   -2    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21   -1    1    0   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22    2   -2   -1    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23    1   -3    0    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.218                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7763    1.2649    1.2568   90.1118  134.9079   89.9643      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7789    1.2634    1.2556   90.0000  134.8644   90.0000      0.0000         1.4168    1.0062
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0185    0.0476    0.0177    0.0000    0.5992    0.0000      0.0000         0.0130    0.0404
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1900    0.7501    0.1817)
 a2 = (    0.1468   -0.1468    0.7629)
 a3 = (    0.5691    0.9654    0.0787)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1890    0.7489    0.1803) (    0.0071    0.0022    0.0052)
 a2 = (    0.1445   -0.1475    0.7641) (    0.0095    0.0091    0.0276)
 a3 = (    0.5708    0.9648    0.0782) (    0.0132    0.0072    0.0055)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2497   97.3539  105.8927    0.3910    0.3095    0.5497
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
             93             95
# Figure of merit at the beginning and the end of the refinement
        41.3294        48.9346
# Chi-squares at the beginning and the end of the refinement
    0.0405    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7244   -0.0548   -0.7289   -0.0565    0.0048    1
    2    2    0    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -3    1    0   -0.0249    0.0834   -0.0241    0.0824    0.0012    1
    4    1    1    1   -0.1966   -0.5864   -0.1976   -0.5890    0.0027    1
    5    2    0    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -3    1    1   -0.1029    0.1146   -0.1046    0.1173    0.0032    1
    7    3    1    0    0.1202   -0.5976    0.1201   -0.5972    0.0005    1
    8    4    0   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -3    1    2   -0.1902    0.0478   -0.1940    0.0483    0.0038    1
   10    2    0   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    3    1   -1    0.5350   -0.6137    0.5314   -0.6143    0.0036    1
   12   -3    1    3   -0.1796   -0.0370   -0.1815   -0.0378    0.0021    1
   13    4    0   -3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    5    1   -3    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15   -1    1    2   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2    0   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3    1   -2    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18    4    2   -2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    2    0   -3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    3    1   -3    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    0    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1   -2    0.2945    0.3309    0.2970    0.3320    0.0027    1
   23   -1    1   -1    0.0331    0.2656    0.0342    0.2676    0.0023    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    2    0    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -3    1    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1    1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -3    1    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    3    1    0    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8    4    0   -1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -3    1    2   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11    3    1   -1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12   -3    1    3   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    4    0   -3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    5    1   -3    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15   -1    1    2   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16    2    0   -2    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    3    1   -2    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    4    2   -2    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19    2    0   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3    1   -3    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    1   -2    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -1    1   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.219                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7789    1.2620    1.2584   90.1462  134.9335   89.9025      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7798    1.2634    1.2609   90.0000  135.1355   90.0000      0.0000         1.4116    1.0020
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0186    0.0507    0.0178    0.0000    0.5964    0.0000      0.0000         0.0129    0.0378
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7575   -0.2154    0.1013)
 a2 = (    0.1437   -0.1456    0.7656)
 a3 = (   -0.9456    0.5353    0.2815)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7598   -0.2159    0.1020) (    0.0019    0.0064    0.0044)
 a2 = (    0.1445   -0.1475    0.7641) (    0.0099    0.0095    0.0295)
 a3 = (   -0.9488    0.5329    0.2823) (    0.0077    0.0110    0.0089)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    7.5594   76.8651 -165.8633    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
             79             95
# Figure of merit at the beginning and the end of the refinement
        45.6011        48.9346
# Chi-squares at the beginning and the end of the refinement
    0.0455    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7326   -0.0568   -0.7289   -0.0565    0.0037    1
    2   -4    0    3   -0.0139   -0.1768   -0.0133   -0.1793    0.0025    1
    3    3    1   -3   -0.0255    0.0864   -0.0241    0.0824    0.0042    1
    4   -3    1    2   -0.1960   -0.5865   -0.1976   -0.5890    0.0030    1
    5   -2    0    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1   -2   -0.1055    0.1182   -0.1046    0.1173    0.0012    1
    7   -3    1    3    0.1190   -0.5962    0.1201   -0.5972    0.0015    1
    8   -2    0    3    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9   -1    1   -1   -0.1949    0.0491   -0.1940    0.0483    0.0011    1
   10    0    0    1    0.2254   -0.1276    0.2267   -0.1283    0.0015    1
   11   -1    1    2    0.5326   -0.6137    0.5314   -0.6143    0.0014    1
   12   -3    1    0   -0.1831   -0.0380   -0.1815   -0.0378    0.0016    1
   13    2    0    1    0.1964   -0.0083    0.1981   -0.0091    0.0019    1
   14    1    1    2    0.5284   -0.1497    0.5323   -0.1459    0.0054    1
   15   -3    1    1   -0.3377   -0.2379   -0.3358   -0.2354    0.0031    1
   16    2    0    0    0.1238    0.0352    0.1256    0.0356    0.0019    1
   17    1    1    1    0.7273   -0.0813    0.7260   -0.0804    0.0016    1
   18    0    2    2    1.0562   -0.5134    1.0655   -0.4953    0.0204    1
   19    4    0   -1    0.0410    0.0275    0.0407    0.0272    0.0004    1
   20    3    1    0    0.4413    0.1642    0.4436    0.1639    0.0022    1
   21   -2    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    3    1   -1    0.2950    0.3308    0.2970    0.3320    0.0023    1
   23    3    1   -2    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2   -4    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    3    1   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -3    1    2   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5   -2    0    2    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    1   -2   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    1    3    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1    1   -1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    0    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    1    2    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12   -3    1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    2    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    1    1    2    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15   -3    1    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1    1    1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    0    2    2    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19    4    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3    1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21   -2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    3    1   -1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23    3    1   -2    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.221                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7787    1.2618    1.2585   90.7338  134.9122   89.1653      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7789    1.2634    1.2556   90.0000  134.8644   90.0000      0.0000         1.4168    1.0062
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0185    0.0476    0.0177    0.0000    0.5992    0.0000      0.0000         0.0130    0.0404
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1897   -0.7492   -0.1815)
 a2 = (    0.1347   -0.1453    0.7675)
 a3 = (   -0.5684   -0.9642   -0.0786)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1890   -0.7489   -0.1803) (    0.0071    0.0022    0.0052)
 a2 = (    0.1445   -0.1475    0.7641) (    0.0095    0.0091    0.0276)
 a3 = (   -0.5708   -0.9648   -0.0782) (    0.0132    0.0072    0.0055)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.2497   82.6461  -74.1073    0.3910    0.3095    0.5497
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
             95             95
# Figure of merit at the beginning and the end of the refinement
        36.0330        48.9346
# Chi-squares at the beginning and the end of the refinement
    0.2543    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7399   -0.0578   -0.7289   -0.0565    0.0110    1
    2   -2    0   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    3    1    0   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4   -1    1   -1   -0.1937   -0.5919   -0.1976   -0.5890    0.0048    1
    5   -2    0    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    3    1   -1   -0.1048    0.1177   -0.1046    0.1173    0.0005    1
    7   -3    1    0    0.1237   -0.5985    0.1201   -0.5972    0.0038    1
    8   -4    0    1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    3    1   -2   -0.1942    0.0490   -0.1940    0.0483    0.0007    1
   10   -2    0    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -3    1    1    0.5375   -0.6100    0.5314   -0.6143    0.0074    1
   12    3    1   -3   -0.1826   -0.0379   -0.1815   -0.0378    0.0011    1
   13   -4    0    3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -5    1    3    0.5295   -0.1488    0.5323   -0.1459    0.0041    1
   15    1    1   -2   -0.3389   -0.2398   -0.3358   -0.2354    0.0054    1
   16   -2    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3    1    2    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -4    2    2    1.0527   -0.5035    1.0655   -0.4953    0.0152    1
   19   -2    0    3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -3    1    3    0.4425    0.1635    0.4436    0.1639    0.0011    1
   21    0    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1    2    0.2972    0.3303    0.2970    0.3320    0.0017    1
   23    1    1    1    0.0352    0.2683    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2   -2    0   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    3    1    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    1   -1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5   -2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    3    1   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    1    0    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -4    0    1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    3    1   -2   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -3    1    1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    3    1   -3   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -4    0    3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -5    1    3    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    1    1   -2   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    2    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -3    1    2    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18   -4    2    2    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -2    0    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3    1    3    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    0    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    1    2    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23    1    1    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.233                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7337    1.2682    1.2280   91.7931  132.1751   88.8556      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7796    1.2640    1.2554   90.0000  134.9054   90.0000      0.0000         1.4175    1.0069
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0178    0.0500    0.0193    0.0000    0.5746    0.0000      0.0000         0.0168    0.0413
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1474   -0.7447   -0.1715)
 a2 = (   -0.1208    0.1510   -0.7648)
 a3 = (    0.9256   -0.5240   -0.2771)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1893   -0.7491   -0.1802) (    0.0085    0.0025    0.0054)
 a2 = (   -0.1444    0.1473   -0.7638) (    0.0099    0.0098    0.0290)
 a3 = (    0.9492   -0.5331   -0.2823) (    0.0153    0.0065    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.7587   97.3497  105.9082    0.4106    0.3412    0.6364
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0012      0.0023    0.0023    0.0403

# Number of computed bands
            400             95
# Figure of merit at the beginning and the end of the refinement
         4.5372        48.8506
# Chi-squares at the beginning and the end of the refinement
    2.2436    0.0207
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -6    0    1   -0.0020   -0.1906   -0.0133   -0.1793    0.0159    1
    3    3   -1    0   -0.0235    0.0994   -0.0241    0.0824    0.0170    1
    4   -3   -1    1   -0.2166   -0.5589   -0.1976   -0.5890    0.0356    0
    5   -2    0    0    0.0439   -0.2216    0.0566   -0.2258    0.0134    1
    6    1   -1    1   -0.1097    0.1305   -0.1046    0.1173    0.0142    1
    7   -3   -1    0    0.0926   -0.5998    0.1201   -0.5972    0.0277    0
    8   -2    0   -1    0.1365   -0.2252    0.1441   -0.2219    0.0083    1
    9   -1   -1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3   -1    3   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    2    0   -3    0.1965   -0.0065    0.1981   -0.0091    0.0030    1
   14    1   -1   -3    0.5294   -0.1427    0.5323   -0.1459    0.0043    1
   15   -3   -1    2   -0.3251   -0.2200   -0.3358   -0.2354    0.0187    1
   16    2    0   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1   -2    0.7183   -0.0691    0.7260   -0.0804    0.0137    1
   18    0   -2   -2    1.0658   -0.4939    1.0655   -0.4953    0.0013    1
   19    4    0   -3    0.0470    0.0302    0.0407    0.0272    0.0069    1
   20    3   -1   -3    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -2    0    1   -0.0312   -0.0478   -0.0357   -0.0605    0.0135    1
   22    3   -1   -2    0.3006    0.3121    0.2970    0.3320    0.0203    1
   23    3   -1   -1    0.0532    0.2730    0.0342    0.2676    0.0198    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7280   -0.0557   -0.7289   -0.0565    0.0012    1
    2   -4    0    1   -0.0134   -0.1776   -0.0133   -0.1793    0.0017    1
    3    3   -1    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -3   -1    1   -0.1966   -0.5874   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0576   -0.2268    0.0566   -0.2258    0.0015    1
    6    1   -1    1   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7   -3   -1    0    0.1209   -0.5980    0.1201   -0.5972    0.0011    1
    8   -2    0   -1    0.1455   -0.2223    0.1441   -0.2219    0.0014    1
    9   -1   -1    2   -0.1925    0.0480   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -1   -1    0.5366   -0.6125    0.5314   -0.6143    0.0054    1
   12   -3   -1    3   -0.1809   -0.0378   -0.1815   -0.0378    0.0006    1
   13    2    0   -3    0.1973   -0.0084    0.1981   -0.0091    0.0011    1
   14    1   -1   -3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15   -3   -1    2   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    2    0   -2    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17    1   -1   -2    0.7264   -0.0791    0.7260   -0.0804    0.0013    1
   18    0   -2   -2    1.0585   -0.5076    1.0655   -0.4953    0.0142    1
   19    4    0   -3    0.0421    0.0275    0.0407    0.0272    0.0013    1
   20    3   -1   -3    0.4409    0.1637    0.4436    0.1639    0.0027    1
   21   -2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    3   -1   -2    0.2953    0.3299    0.2970    0.3320    0.0027    1
   23    3   -1   -1    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.251                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7834    1.2580    1.2604   89.4282  134.9777   91.1184      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7798    1.2634    1.2556   90.0000  134.8937   90.0000      0.0000         1.4176    1.0062
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0163    0.0476    0.0177    0.0000    0.5252    0.0000      0.0000         0.0148    0.0404
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1876    0.7491    0.1793)
 a2 = (   -0.1422    0.1624   -0.7652)
 a3 = (   -0.9445    0.5347    0.2827)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1890    0.7489    0.1803) (    0.0071    0.0022    0.0052)
 a2 = (   -0.1445    0.1475   -0.7641) (    0.0095    0.0091    0.0276)
 a3 = (   -0.9488    0.5329    0.2823) (    0.0136    0.0065    0.0081)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  166.7503   82.6461  -74.1073    0.3910    0.3095    0.5497
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
             75             97
# Figure of merit at the beginning and the end of the refinement
        33.6423        48.4275
# Chi-squares at the beginning and the end of the refinement
    0.1455    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2    4    0   -1   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3   -3   -1    0   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    3   -1   -1   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    2    0    0    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6   -1   -1   -1   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7    3   -1    0    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8    2    0    1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1   -1   -2   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    1    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12    3   -1   -3   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13   -2    0    3    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -1   -1    3    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15    3   -1   -2   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16   -2    0    2    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17   -1   -1    2    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18    0   -2    2    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19   -4    0    3    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20   -3   -1    3    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    2    0   -1   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22   -3   -1    2    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -3   -1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    4    0   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -3   -1    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    3   -1   -1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -1   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    3   -1    0    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8    2    0    1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1   -1   -2   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    0    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -1    1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    3   -1   -3   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -2    0    3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -1   -1    3    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    3   -1   -2   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    2    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1   -1    2    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    0   -2    2    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -4    0    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3   -1    3    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -3   -1    2    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -3   -1    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.252                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9959    1.4092    1.4260   91.1222   91.5645   90.8375      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0008    1.4137    1.4136   90.0000   89.9380   90.0000      0.0000         0.7080    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0290    0.0265    0.0000    1.0999    0.0000      0.0000         0.0133    0.0262
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2423   -0.9483   -0.2261)
 a2 = (    0.5723    0.0351    0.4184)
 a3 = (   -0.3668   -0.2444    0.5460)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2377   -0.9434   -0.2276) (    0.0083    0.0029    0.0058)
 a2 = (    0.5688    0.0424    0.4184) (    0.0143    0.0056    0.0066)
 a3 = (   -0.3856   -0.2284    0.5473) (    0.0117    0.0091    0.0096)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -21.0664   39.3315  -59.2670    0.5343    0.5377    0.8037
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0038      0.0024    0.0023    0.0136

# Number of computed bands
            400            115
# Figure of merit at the beginning and the end of the refinement
         3.3299        44.9788
# Chi-squares at the beginning and the end of the refinement
    0.3865    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7283   -0.0447   -0.7289   -0.0565    0.0118    1
    2   -3    1   -1   -0.0119   -0.1754   -0.0133   -0.1793    0.0042    1
    3    3    1    1   -0.0262    0.0857   -0.0241    0.0824    0.0039    1
    4   -1    1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -2    0    0    0.0572   -0.2238    0.0566   -0.2258    0.0021    1
    6    1    1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    1    1    0.1186   -0.5997    0.1201   -0.5972    0.0029    1
    8   -3   -1    1    0.1435   -0.2209    0.1441   -0.2219    0.0012    1
    9    1    3   -1   -0.1948    0.0501   -0.1940    0.0483    0.0020    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0    2    0.5427   -0.6272    0.5314   -0.6143    0.0171    1
   12    0    2   -1   -0.1844   -0.0384   -0.1815   -0.0378    0.0029    1
   13   -1   -3    3    0.1988   -0.0071    0.1981   -0.0091    0.0021    1
   14   -1   -1    2    0.5405   -0.1482    0.5323   -0.1459    0.0085    1
   15   -1    3   -1   -0.3393   -0.2392   -0.3358   -0.2354    0.0051    1
   16    0   -2    2    0.1248    0.0372    0.1256    0.0356    0.0017    1
   17   -1   -1    3    0.7483   -0.0704    0.7260   -0.0804    0.0244    1
   18   -3   -1    6    0.8805   -0.3380    1.0655   -0.4953    0.2428    0
   19    1   -3    3    0.0411    0.0285    0.0407    0.0272    0.0013    1
   20    0   -2    4    0.4443    0.1783    0.4436    0.1639    0.0144    1
   21   -1    1   -1   -0.0344   -0.0606   -0.0357   -0.0605    0.0013    1
   22    1   -1    3    0.2846    0.3416    0.2970    0.3320    0.0156    1
   23    2    0    2    0.0277    0.2654    0.0342    0.2676    0.0069    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2   -3    1   -1   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    3    1    1   -0.0251    0.0854   -0.0241    0.0824    0.0032    1
    4   -1    1    0   -0.1966   -0.5871   -0.1976   -0.5890    0.0021    1
    5   -2    0    0    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6    1    1    0   -0.1044    0.1167   -0.1046    0.1173    0.0007    1
    7   -3    1    1    0.1201   -0.5975    0.1201   -0.5972    0.0004    1
    8   -3   -1    1    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9    1    3   -1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1    1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2    0    2    0.5352   -0.6140    0.5314   -0.6143    0.0038    1
   12    0    2   -1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -1   -3    3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -1   -1    2    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15   -1    3   -1   -0.3367   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    2    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1   -1    3    0.7281   -0.0804    0.7260   -0.0804    0.0021    1
   18   -2    0    4    1.0597   -0.5114    1.0655   -0.4953    0.0171    1
   19    1   -3    3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0   -2    4    0.4420    0.1641    0.4436    0.1639    0.0016    1
   21   -1    1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -1    3    0.2953    0.3308    0.2970    0.3320    0.0020    1
   23    2    0    2    0.0342    0.2671    0.0342    0.2676    0.0005    1

###            No.253                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4407    0.9963    1.3936   89.5457   90.7303   90.2871      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4175    1.0012    1.4092   90.0000   90.1205   90.0000      0.0000         1.0059    0.7105
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0217    0.0333    0.0000    2.4747    0.0000      0.0000         0.0237    0.0177
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5537   -0.0429   -0.4165)
 a2 = (    0.2399   -0.9473   -0.2295)
 a3 = (   -0.4048   -0.2290    0.5466)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5669   -0.0419   -0.4179) (    0.0081    0.0084    0.0117)
 a2 = (    0.2375   -0.9430   -0.2275) (    0.0076    0.0211    0.0067)
 a3 = (   -0.3884   -0.2299    0.5475) (    0.0162    0.0071    0.0165)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -111.0397   39.3904  -59.3078    0.4385    1.2771    0.6137
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            123            115
# Figure of merit at the beginning and the end of the refinement
        15.2004        44.4566
# Chi-squares at the beginning and the end of the refinement
    0.1896    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -1   -3   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1    3    1   -0.0240    0.0838   -0.0241    0.0824    0.0014    1
    4   -1   -1    0   -0.1879   -0.5929   -0.1976   -0.5890    0.0105    1
    5    0   -2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    1    0   -0.1025    0.1168   -0.1046    0.1173    0.0022    1
    7   -1   -3    1    0.1278   -0.5944    0.1201   -0.5972    0.0081    1
    8    1   -3    1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -3    1   -1   -0.1927    0.0493   -0.1940    0.0483    0.0016    1
   10    1   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    0   -2    2    0.5370   -0.5984    0.5314   -0.6143    0.0169    1
   12   -2    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    3   -1    3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    1   -1    2    0.5245   -0.1461    0.5323   -0.1459    0.0078    1
   15   -3   -1   -1   -0.3380   -0.2416   -0.3358   -0.2354    0.0066    1
   16    2    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    3    0.7150   -0.0775    0.7260   -0.0804    0.0114    1
   18    0   -2    4    1.0351   -0.4827    1.0655   -0.4953    0.0329    1
   19    3    1    3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    2    0    4    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -1   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1    3    0.2950    0.3237    0.2970    0.3320    0.0085    1
   23    0    2    2    0.0371    0.2644    0.0342    0.2676    0.0044    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    3    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -3    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -3    1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -2    2    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -2    0   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3   -1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -1    2    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -3   -1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    2    0    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -1    3    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    0   -2    4    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    3    1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2    0    4    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    1    3    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    0    2    2    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.254                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0012    1.4372    1.3902   90.7280   90.7559   90.0047      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0018    1.4174    1.4086   90.0000   90.0173   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0283    0.0224    0.0000    1.0420    0.0000      0.0000         0.0113    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2457    0.9407    0.2293)
 a2 = (   -0.5550   -0.0430   -0.4175)
 a3 = (   -0.4058   -0.2295    0.5479)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2375    0.9424    0.2277) (    0.0081    0.0028    0.0057)
 a2 = (   -0.5666   -0.0416   -0.4184) (    0.0134    0.0054    0.0066)
 a3 = (   -0.3880   -0.2300    0.5483) (    0.0096    0.0081    0.0090)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  158.9581   39.4503  -59.3136    0.5317    0.4403    0.7964
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            123            117
# Figure of merit at the beginning and the end of the refinement
        13.1329        44.0998
# Chi-squares at the beginning and the end of the refinement
    0.1554    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3   -1   -1   -0.0130   -0.1793   -0.0133   -0.1793    0.0003    1
    3   -3   -1    1   -0.0250    0.0848   -0.0241    0.0824    0.0026    1
    4    1   -1    0   -0.1881   -0.5984   -0.1976   -0.5890    0.0134    1
    5    2    0    0    0.0596   -0.2282    0.0566   -0.2258    0.0039    1
    6   -1   -1    0   -0.1041    0.1167   -0.1046    0.1173    0.0007    1
    7    3   -1    1    0.1333   -0.5976    0.1201   -0.5972    0.0132    1
    8    3    1    1    0.1481   -0.2224    0.1441   -0.2219    0.0040    1
    9   -1   -3   -1   -0.1930    0.0485   -0.1940    0.0483    0.0011    1
   10    1    1    1    0.2282   -0.1263    0.2267   -0.1283    0.0025    1
   11    2    0    2    0.5444   -0.5942    0.5314   -0.6143    0.0239    1
   12    0   -2   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    3    0.1980   -0.0078    0.1981   -0.0091    0.0013    1
   14    1    1    2    0.5241   -0.1426    0.5323   -0.1459    0.0089    1
   15    1   -3   -1   -0.3396   -0.2418   -0.3358   -0.2354    0.0074    1
   16    0    2    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1    3    0.7135   -0.0739    0.7260   -0.0804    0.0140    1
   18    2    0    4    1.0379   -0.4728    1.0655   -0.4953    0.0356    1
   19   -1    3    3    0.0425    0.0283    0.0407    0.0272    0.0020    1
   20    0    2    4    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1    3    0.2968    0.3251    0.2970    0.3320    0.0069    1
   23   -2    0    2    0.0366    0.2672    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2    3   -1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -3   -1    1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -1    0   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5    2    0    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1    1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1   -3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0    2    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0   -2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    1    2    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15    1   -3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2    2    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    1    1    3    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18    2    0    4    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19   -1    3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    2    4    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    1    3    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23   -2    0    2    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.256                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0075    1.4010    1.4183   90.6065   91.6091   91.8100      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9956    1.4177    1.4170   90.0000   90.2562   90.0000      0.0000         0.7026    1.0005
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0004    0.2166    0.2022    0.0000    4.8530    0.0000      0.0000         0.1000    0.0178
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1747   -0.1438    0.9674)
 a2 = (    0.3551    0.6175    0.0510)
 a3 = (   -0.5940    0.3363    0.1778)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1817   -0.1867    0.9700) (    0.0432    0.0173    0.0112)
 a2 = (    0.3576    0.6060    0.0497) (    0.0529    0.0941    0.0040)
 a3 = (   -0.5942    0.3360    0.1793) (    0.0903    0.0524    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   85.8315   75.5417 -119.5051    0.4824    2.6638    0.4457
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0108      0.0025    0.0024    0.1613

# Number of computed bands
            400            149
# Figure of merit at the beginning and the end of the refinement
         6.1349        38.8058
# Chi-squares at the beginning and the end of the refinement
    1.6365    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7369   -0.0901   -0.7289   -0.0565    0.0346    0
    2    0    2    1   -0.0131   -0.1772   -0.0133   -0.1793    0.0022    1
    3    1   -3   -3   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4    1    3    1   -0.1823   -0.5772   -0.1976   -0.5890    0.0193    1
    5    0    2    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1   -3   -0.1076    0.1189   -0.1046    0.1173    0.0034    1
    7    1    3    3    0.1167   -0.5853    0.1201   -0.5972    0.0123    1
    8    0    2    4    0.1436   -0.2225    0.1441   -0.2219    0.0007    1
    9    1    1   -3   -0.1991    0.0461   -0.1940    0.0483    0.0055    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    3    0.5160   -0.6109    0.5314   -0.6143    0.0158    1
   12    1    3   -3   -0.1843   -0.0427   -0.1815   -0.0378    0.0056    1
   13    0   -2    4    0.1971   -0.0070    0.1981   -0.0091    0.0023    1
   14    1   -1    5    0.5280   -0.1542    0.5323   -0.1459    0.0093    1
   15    1    3   -1   -0.3295   -0.2465   -0.3358   -0.2354    0.0128    1
   16    0   -2    2    0.1228    0.0364    0.1256    0.0356    0.0029    1
   17    1   -1    3    0.7271   -0.0918    0.7260   -0.0804    0.0115    1
   18    2    0    4    1.0261   -0.5355    1.0655   -0.4953    0.0563    0
   19    0   -2    1    0.0394    0.0271    0.0407    0.0272    0.0014    1
   20    1   -3    3    0.4437    0.1639    0.4436    0.1639    0.0001    1
   21    0    2    0   -0.0357   -0.0621   -0.0357   -0.0605    0.0016    1
   22    1   -3    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -3   -1    0.0342    0.2685    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7290   -0.0539   -0.7289   -0.0565    0.0026    1
    2    0    2    1   -0.0134   -0.1773   -0.0133   -0.1793    0.0021    1
    3    1   -3   -3   -0.0249    0.0852   -0.0241    0.0824    0.0029    1
    4    1    3    1   -0.1965   -0.5870   -0.1976   -0.5890    0.0022    1
    5    0    2    2    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6    1   -1   -3   -0.1040    0.1167   -0.1046    0.1173    0.0009    1
    7    1    3    3    0.1199   -0.5974    0.1201   -0.5972    0.0003    1
    8    0    2    4    0.1448   -0.2224    0.1441   -0.2219    0.0008    1
    9    1    1   -3   -0.1925    0.0486   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11    1    1    3    0.5350   -0.6141    0.5314   -0.6143    0.0036    1
   12    1    3   -3   -0.1812   -0.0376   -0.1815   -0.0378    0.0004    1
   13    0   -2    4    0.1977   -0.0088    0.1981   -0.0091    0.0006    1
   14    1   -1    5    0.5294   -0.1495    0.5323   -0.1459    0.0046    1
   15    1    3   -1   -0.3368   -0.2366   -0.3358   -0.2354    0.0016    1
   16    0   -2    2    0.1251    0.0350    0.1256    0.0356    0.0008    1
   17    1   -1    3    0.7281   -0.0803    0.7260   -0.0804    0.0021    1
   18    2    0    4    1.0598   -0.5110    1.0655   -0.4953    0.0167    1
   19    0   -2    1    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20    1   -3    3    0.4418    0.1642    0.4436    0.1639    0.0018    1
   21    0    2    0   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22    1   -3    1    0.2949    0.3305    0.2970    0.3320    0.0025    1
   23    1   -3   -1    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.257                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3987    1.4232    1.0048   90.0993   90.1386   90.8193      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4142    1.4134    1.0006   90.0000   90.0880   90.0000      0.0000         1.4133    1.4126
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0374    0.0200    0.0000    0.8545    0.0000      0.0000         0.0283    0.0258
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5755   -0.0446   -0.4220)
 a2 = (    0.3740    0.2247   -0.5508)
 a3 = (    0.2355   -0.9402   -0.2259)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5684   -0.0428   -0.4184) (    0.0042    0.0071    0.0056)
 a2 = (    0.3856    0.2287   -0.5473) (    0.0155    0.0071    0.0111)
 a3 = (    0.2367   -0.9439   -0.2277) (    0.0094    0.0192    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -142.5851  103.1148   14.1515    0.5680    0.4858    0.4511
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0038      0.0023    0.0022    0.0131

# Number of computed bands
            400            150
# Figure of merit at the beginning and the end of the refinement
         7.7835        38.7270
# Chi-squares at the beginning and the end of the refinement
    0.0819    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    1   -3   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -1   -1    3   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -2    0   -2   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0    0   -1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -2    0    2   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7   -1   -1   -3    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    1   -1   -3    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -3    1    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -2   -2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -4    2    0   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    3   -3   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    2   -4   -2    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -3    1   -1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3   -1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    0   -2   -1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    3   -3    1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    2   -4    0    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21   -1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1   -3    1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    0   -2    2    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7287   -0.0553   -0.7289   -0.0565    0.0012    1
    2   -1    1   -3   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -1   -1    3   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0   -2   -0.1966   -0.5865   -0.1976   -0.5890    0.0027    1
    5    0    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    2   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7   -1   -1   -3    0.1195   -0.5975    0.1201   -0.5972    0.0007    1
    8    1   -1   -3    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9   -3    1    1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10    1   -1   -1    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -2   -2    0.5350   -0.6147    0.5314   -0.6143    0.0036    1
   12   -4    2    0   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13    3   -3   -1    0.1976   -0.0086    0.1981   -0.0091    0.0007    1
   14    2   -4   -2    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15   -3    1   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1    0    0.1249    0.0350    0.1256    0.0356    0.0009    1
   17    1   -3   -1    0.7285   -0.0801    0.7260   -0.0804    0.0025    1
   18    0   -2   -1    1.0604   -0.5119    1.0655   -0.4953    0.0174    1
   19    3   -3    1    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    2   -4    0    0.4417    0.1643    0.4436    0.1639    0.0019    1
   21   -1    1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    1   -3    1    0.2949    0.3305    0.2970    0.3320    0.0025    1
   23    0   -2    2    0.0344    0.2668    0.0342    0.2676    0.0009    1

###            No.259                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9986    1.4153    1.4152   90.1643   90.3600   89.6700      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0017    1.4084    1.4176   90.0000   90.0332   90.0000      0.0000         0.7066    0.9935
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0220    0.0270    0.0000    0.8480    0.0000      0.0000         0.0135    0.0223
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2374   -0.9459   -0.2277)
 a2 = (   -0.3868   -0.2245    0.5471)
 a3 = (   -0.5679   -0.0466   -0.4180)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2371   -0.9426   -0.2278) (    0.0085    0.0020    0.0048)
 a2 = (   -0.3881   -0.2301    0.5483) (    0.0095    0.0046    0.0079)
 a3 = (   -0.5664   -0.0418   -0.4184) (    0.0134    0.0070    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.4615  126.3731  -85.8187    0.3625    0.4381    0.6585
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            151            153
# Figure of merit at the beginning and the end of the refinement
        33.1729        38.5113
# Chi-squares at the beginning and the end of the refinement
    0.0420    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7311   -0.0599   -0.7289   -0.0565    0.0041    1
    2   -3   -1   -1   -0.0138   -0.1772   -0.0133   -0.1793    0.0022    1
    3    3    1   -1   -0.0255    0.0859   -0.0241    0.0824    0.0038    1
    4   -2    0   -2   -0.1951   -0.5857   -0.1976   -0.5890    0.0042    1
    5   -2    0    0    0.0568   -0.2265    0.0566   -0.2258    0.0008    1
    6    2    0   -2   -0.1051    0.1174   -0.1046    0.1173    0.0005    1
    7   -3    1   -1    0.1190   -0.5960    0.1201   -0.5972    0.0017    1
    8   -3    1    1    0.1446   -0.2226    0.1441   -0.2219    0.0008    1
    9    1   -1   -3   -0.1937    0.0484   -0.1940    0.0483    0.0003    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0   -2   -4   -0.1818   -0.0379   -0.1815   -0.0378    0.0003    1
   13   -1    3    3    0.1980   -0.0085    0.1981   -0.0091    0.0007    1
   14   -2    4    2    0.5295   -0.1510    0.5323   -0.1459    0.0058    1
   15   -1   -1   -3   -0.3363   -0.2377   -0.3358   -0.2354    0.0024    1
   16    0    2    2    0.1252    0.0355    0.1256    0.0356    0.0005    1
   17   -1    3    1    0.7286   -0.0837    0.7260   -0.0804    0.0043    1
   18   -2    4    0    1.0532   -0.5177    1.0655   -0.4953    0.0256    1
   19    1    3    3    0.0419    0.0281    0.0407    0.0272    0.0015    1
   20    0    2    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -1   -1   -0.0354   -0.0601   -0.0357   -0.0605    0.0005    1
   22    1    3    1    0.2970    0.3319    0.2970    0.3320    0.0002    1
   23    1    1    0    0.0343    0.2685    0.0342    0.2676    0.0009    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2   -3   -1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0   -2   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5   -2    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0   -2   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -3    1    1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1   -1   -3   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    0    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0   -2   -4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    4    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    2    2    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17   -1    3    1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18   -2    4    0    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19    1    3    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    2    1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21   -1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    3    1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    1    1    0    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.260                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4173    0.9980    1.4140   90.1883   90.2709   90.2201      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4092    1.0012    1.4175   90.0000   90.1205   90.0000      0.0000         0.9942    0.7064
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0249    0.0334    0.0000    2.4747    0.0000      0.0000         0.0234    0.0153
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3857    0.2291   -0.5446)
 a2 = (   -0.2355    0.9472    0.2267)
 a3 = (    0.5692    0.0441    0.4174)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3884    0.2299   -0.5475) (    0.0143    0.0036    0.0094)
 a2 = (   -0.2375    0.9430    0.2275) (    0.0088    0.0243    0.0054)
 a3 = (    0.5669    0.0419    0.4179) (    0.0195    0.0090    0.0093)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -73.5495   53.5645   94.1893    0.3474    1.3537    0.5028
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            131            155
# Figure of merit at the beginning and the end of the refinement
        33.4682        38.2930
# Chi-squares at the beginning and the end of the refinement
    0.0324    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    3    1   -0.0141   -0.1764   -0.0133   -0.1793    0.0030    1
    3   -1   -3    1   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4    0    2    2   -0.1964   -0.5836   -0.1976   -0.5890    0.0055    1
    5    0    2    0    0.0560   -0.2254    0.0566   -0.2258    0.0006    1
    6    0   -2    2   -0.1049    0.1177   -0.1046    0.1173    0.0005    1
    7   -1    3    1    0.1172   -0.5950    0.1201   -0.5972    0.0036    1
    8   -1    3   -1    0.1433   -0.2216    0.1441   -0.2219    0.0008    1
    9    1   -1    3   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10   -1    1   -1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11   -1    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    2    0    4   -0.1825   -0.0380   -0.1815   -0.0378    0.0010    1
   13   -3    1   -3    0.1958   -0.0081    0.1981   -0.0091    0.0025    1
   14   -4    2   -2    0.5279   -0.1490    0.5323   -0.1459    0.0053    1
   15    1    1    3   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16   -2    0   -2    0.1231    0.0352    0.1256    0.0356    0.0025    1
   17   -3    1   -1    0.7267   -0.0799    0.7260   -0.0804    0.0008    1
   18   -4    2    0    1.0574   -0.5134    1.0655   -0.4953    0.0199    1
   19   -3   -1   -3    0.0406    0.0273    0.0407    0.0272    0.0002    1
   20   -2    0   -1    0.4393    0.1646    0.4436    0.1639    0.0043    1
   21    1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3   -1   -1    0.2927    0.3296    0.2970    0.3320    0.0049    1
   23   -1   -1    0    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -3    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    2    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -2    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    3    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    3   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -1    3   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    0    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    2    0    4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    1   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -4    2   -2    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1    3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -2    0   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -3    1   -1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -4    2    0    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19   -3   -1   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    0   -1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -3   -1   -1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -1   -1    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.261                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4172    1.0002    1.4111   89.8691   90.1876   90.2046      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4092    1.0012    1.4175   90.0000   90.1205   90.0000      0.0000         0.9942    0.7064
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0249    0.0334    0.0000    2.4747    0.0000      0.0000         0.0234    0.0153
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3859   -0.2251    0.5462)
 a2 = (   -0.2366    0.9446    0.2267)
 a3 = (   -0.5704   -0.0442   -0.4183)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3884   -0.2299    0.5475) (    0.0143    0.0036    0.0094)
 a2 = (   -0.2375    0.9430    0.2275) (    0.0088    0.0243    0.0054)
 a3 = (   -0.5669   -0.0419   -0.4179) (    0.0195    0.0090    0.0093)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.5495  126.4355  -85.8107    0.3474    1.3537    0.5028
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            149            155
# Figure of merit at the beginning and the end of the refinement
        32.5405        38.2930
# Chi-squares at the beginning and the end of the refinement
    0.0701    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    3   -1   -0.0140   -0.1768   -0.0133   -0.1793    0.0026    1
    3    1   -3   -1   -0.0257    0.0867   -0.0241    0.0824    0.0046    1
    4    0    2   -2   -0.1976   -0.5855   -0.1976   -0.5890    0.0035    1
    5    0    2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -2   -2   -0.1058    0.1180   -0.1046    0.1173    0.0013    1
    7    1    3   -1    0.1181   -0.5964    0.1201   -0.5972    0.0021    1
    8    1    3    1    0.1439   -0.2215    0.1441   -0.2219    0.0005    1
    9   -1   -1   -3   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10    1    1    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11    1    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -2    0   -4   -0.1825   -0.0375   -0.1815   -0.0378    0.0010    1
   13    3    1    3    0.1962   -0.0086    0.1981   -0.0091    0.0020    1
   14    4    2    2    0.5276   -0.1505    0.5323   -0.1459    0.0065    1
   15   -1    1   -3   -0.3374   -0.2362   -0.3358   -0.2354    0.0018    1
   16    2    0    2    0.1239    0.0349    0.1256    0.0356    0.0018    1
   17    3    1    1    0.7269   -0.0833    0.7260   -0.0804    0.0031    1
   18    4    2    0    1.0544   -0.5170    1.0655   -0.4953    0.0244    1
   19    3   -1    3    0.0414    0.0275    0.0407    0.0272    0.0007    1
   20    2    0    1    0.4422    0.1629    0.4436    0.1639    0.0016    1
   21   -1    1   -1   -0.0357   -0.0602   -0.0357   -0.0605    0.0003    1
   22    3   -1    1    0.2968    0.3311    0.2970    0.3320    0.0009    1
   23    1   -1    0    0.0343    0.2688    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -3   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    2   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -2   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1    0    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -2    0   -4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3    1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    4    2    2    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    2    0    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    3    1    1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    4    2    0    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    3   -1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2    0    1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    3   -1    1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    1   -1    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.269                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4164    0.9959    1.4180   89.7947   90.6305   90.0121      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4259    0.9920    1.4141   90.0000   90.9211   90.0000      0.0000         1.0083    0.7015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0017    0.0535    0.0509    0.0000    4.1849    0.0000      0.0000         0.0373    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0273    0.3807    0.5940)
 a2 = (    0.9579    0.2717   -0.1300)
 a3 = (   -0.2125    0.5660   -0.3633)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0296    0.3800    0.5888) (    0.0109    0.0205    0.0138)
 a2 = (    0.9618    0.2732   -0.1280) (    0.0532    0.0141    0.0046)
 a3 = (   -0.2100    0.5688   -0.3641) (    0.0074    0.0347    0.0105)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   98.5990  121.8988 -159.5739    0.3477    2.2006    0.4085
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            157            157
# Figure of merit at the beginning and the end of the refinement
        22.4582        38.2016
# Chi-squares at the beginning and the end of the refinement
    0.0468    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7196   -0.0544   -0.7289   -0.0565    0.0095    1
    2    3    1    3   -0.0138   -0.1796   -0.0133   -0.1793    0.0006    1
    3   -2    0   -4   -0.0240    0.0804   -0.0241    0.0824    0.0020    1
    4    3    1    1   -0.1962   -0.5852   -0.1976   -0.5890    0.0040    1
    5    2    0    2    0.0580   -0.2290    0.0566   -0.2258    0.0036    1
    6   -1    1   -3   -0.1006    0.1121   -0.1046    0.1173    0.0065    1
    7    2    0    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    3   -1    3    0.1465   -0.2244    0.1441   -0.2219    0.0035    1
    9    0    2   -2   -0.1875    0.0471   -0.1940    0.0483    0.0067    1
   10    1   -1    1    0.2286   -0.1288    0.2267   -0.1283    0.0020    1
   11    3   -1    1    0.5340   -0.6127    0.5314   -0.6143    0.0031    1
   12    1    3   -1   -0.1779   -0.0366   -0.1815   -0.0378    0.0038    1
   13    1   -3    1    0.1990   -0.0084    0.1981   -0.0091    0.0011    1
   14    3   -3    1    0.5289   -0.1491    0.5323   -0.1459    0.0046    1
   15    1    1    0   -0.3343   -0.2344   -0.3358   -0.2354    0.0018    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    4   -2    0    1.0550   -0.5104    1.0655   -0.4953    0.0184    1
   19   -1   -3   -1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20    1   -3   -1    0.4402    0.1638    0.4436    0.1639    0.0034    1
   21    1    1    1   -0.0362   -0.0614   -0.0357   -0.0605    0.0010    1
   22    0   -2   -2    0.2924    0.3286    0.2970    0.3320    0.0057    1
   23   -1   -1   -3    0.0327    0.2622    0.0342    0.2676    0.0057    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    3    1    3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -2    0   -4   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    3    1    1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    2    0    2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1   -3   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    2    0    1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    3   -1    3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    0    2   -2   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    1   -1    1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    3   -1    1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1    3   -1   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    1   -3    1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    3   -3    1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    1    1    0   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1   -1    0    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    4   -2    0    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19   -1   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -3   -1    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    1    1    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    0   -2   -2    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1   -1   -3    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.270                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0017    1.4247    1.4016   90.5845   90.7062   89.8390      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9990    1.4167    1.4132   90.0000   90.0020   90.0000      0.0000         0.7069    1.0024
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0252    0.0262    0.0000    0.9849    0.0000      0.0000         0.0131    0.0212
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9525    0.2702   -0.1282)
 a2 = (   -0.2102    0.5597   -0.3678)
 a3 = (   -0.0219    0.3923    0.5957)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9549    0.2711   -0.1288) (    0.0021    0.0077    0.0055)
 a2 = (   -0.2099    0.5642   -0.3687) (    0.0066    0.0116    0.0053)
 a3 = (   -0.0273    0.3797    0.5965) (    0.0088    0.0093    0.0105)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.1557   32.5410 -175.8848    0.5776    0.4450    0.7203
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0024    0.0024    0.0152

# Number of computed bands
            400            161
# Figure of merit at the beginning and the end of the refinement
         9.0967        38.1300
# Chi-squares at the beginning and the end of the refinement
    0.1040    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7263   -0.0654   -0.7289   -0.0565    0.0093    1
    2    1    3    3   -0.0145   -0.1765   -0.0133   -0.1793    0.0031    1
    3    0   -2   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    1    3   -0.1948   -0.5777   -0.1976   -0.5890    0.0117    1
    5    0    2    2    0.0551   -0.2259    0.0566   -0.2258    0.0015    1
    6    1   -3   -1   -0.1047    0.1174   -0.1046    0.1173    0.0002    1
    7    0    2    4    0.1118   -0.5915    0.1201   -0.5972    0.0101    1
    8   -1    3    3    0.1423   -0.2232    0.1441   -0.2219    0.0022    1
    9    1   -1    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    1    0.2258   -0.1299    0.2267   -0.1283    0.0018    1
   11   -1    1    3    0.5194   -0.6200    0.5314   -0.6143    0.0133    1
   12    3   -1    1   -0.1819   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -3    1    1    0.1978   -0.0091    0.1981   -0.0091    0.0003    1
   14   -3    1    3    0.5294   -0.1564    0.5323   -0.1459    0.0109    1
   15    2    0    2   -0.3334   -0.2373   -0.3358   -0.2354    0.0031    1
   16   -2    0    0    0.1245    0.0353    0.1256    0.0356    0.0011    1
   17   -2    0    2    0.7313   -0.0916    0.7260   -0.0804    0.0125    1
   18   -2    0    4    1.0456   -0.5398    1.0655   -0.4953    0.0488    0
   19   -3   -1   -1    0.0411    0.0276    0.0407    0.0272    0.0005    1
   20   -3   -1    1    0.4452    0.1631    0.4436    0.1639    0.0018    1
   21    1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -3   -1    0.0342    0.2672    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1    3    3   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0   -2   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    1    3   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    0    2    2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -3   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    0    2    4    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8   -1    3    3    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    1   -1    0   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    1    1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1    1    3    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    3   -1    1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -3    1    1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -3    1    3    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    2    0    2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16   -2    0    0    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17   -2    0    2    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18   -2    0    4    1.0587   -0.5120    1.0655   -0.4953    0.0181    1
   19   -3   -1   -1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -3   -1    1    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1    1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1   -1    0    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1   -3   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.272                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3947    1.4151    1.0141   91.0375   91.6761   89.0851      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4135    1.4125    1.0017   90.0000   90.0666   90.0000      0.0000         1.4110    1.4101
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0220    0.1268    0.0000    4.5331    0.0000      0.0000         0.1787    0.1882
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6041    0.3420    0.1809)
 a2 = (   -0.3492   -0.6124   -0.0515)
 a3 = (    0.1480   -0.1850    0.9578)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5960    0.3369    0.1782) (    0.0053    0.0058    0.0250)
 a2 = (   -0.3587   -0.6084   -0.0494) (    0.0067    0.0099    0.0051)
 a3 = (    0.1819   -0.1855    0.9639) (    0.0222    0.0143    0.1315)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  105.4938   15.1505   44.4978    1.2218    2.1168    1.2995
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0011      0.0024    0.0024    0.1452

# Number of computed bands
            400            161
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.7848
# Chi-squares at the beginning and the end of the refinement
    0.1575    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    2   -4    0   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -3    3    1   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    1   -3    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1   -1    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -3    1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    3   -3    1    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    4   -2    0    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9   -3   -1    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    2    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12   -3   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    4    2    0    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    5    1    1    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15   -1   -3    1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3    1    1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    2    0    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19    2    4    0    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    3    3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    0   -2    0   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22    1    3    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -1    3    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7294   -0.0555   -0.7289   -0.0565    0.0012    1
    2    2   -4    0   -0.0134   -0.1774   -0.0133   -0.1793    0.0020    1
    3   -3    3    1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    1   -3    1   -0.1960   -0.5867   -0.1976   -0.5890    0.0028    1
    5    1   -1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -3    1    1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    3   -3    1    0.1198   -0.5971    0.1201   -0.5972    0.0003    1
    8    4   -2    0    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -3   -1    1   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10    2    0    0    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11    3   -1    1    0.5345   -0.6141    0.5314   -0.6143    0.0031    1
   12   -3   -3    1   -0.1813   -0.0378   -0.1815   -0.0378    0.0003    1
   13    4    2    0    0.1978   -0.0086    0.1981   -0.0091    0.0006    1
   14    5    1    1    0.5295   -0.1496    0.5323   -0.1459    0.0046    1
   15   -1   -3    1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    1    1    0    0.1250    0.0351    0.1256    0.0356    0.0007    1
   17    3    1    1    0.7282   -0.0806    0.7260   -0.0804    0.0022    1
   18    2    0    1    1.0586   -0.5119    1.0655   -0.4953    0.0179    1
   19    2    4    0    0.0420    0.0276    0.0407    0.0272    0.0013    1
   20    3    3    1    0.4419    0.1643    0.4436    0.1639    0.0017    1
   21    0   -2    0   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1    3    1    0.2950    0.3305    0.2970    0.3320    0.0025    1
   23   -1    3    1    0.0343    0.2666    0.0342    0.2676    0.0010    1

###            No.273                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4207    1.4214    0.9906   90.5831   90.8227   89.9988      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4120    1.4129    1.0025   90.0000   90.0402   90.0000      0.0000         1.4085    1.4094
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0203    0.0487    0.0000    1.4446    0.0000      0.0000         0.0684    0.0652
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3570   -0.6048   -0.0485)
 a2 = (   -0.5925    0.3354    0.1774)
 a3 = (   -0.2015    0.1801   -0.9728)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3588   -0.6086   -0.0495) (    0.0036    0.0022    0.0049)
 a2 = (   -0.5963    0.3371    0.1780) (    0.0090    0.0056    0.0067)
 a3 = (   -0.1827    0.1852   -0.9630) (    0.0222    0.0164    0.0456)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -15.5294  164.8718 -135.5378    1.2973    0.5360    1.3785
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0004      0.0024    0.0024    0.0461

# Number of computed bands
            400            159
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.7254
# Chi-squares at the beginning and the end of the refinement
    0.1138    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -4    2    0   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    3   -3   -1   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -3    1   -1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5   -1    1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1   -3   -1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7   -3    3   -1    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8   -2    4    0    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -1   -3   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3   -3   -1   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    2    4    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1    5   -1    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -3   -1   -1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3   -1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    0    2   -1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    4    2    0    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    3    3   -1    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21   -2    0    0   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    3    1   -1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    3   -1   -1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7290   -0.0556   -0.7289   -0.0565    0.0009    1
    2   -4    2    0   -0.0134   -0.1774   -0.0133   -0.1793    0.0019    1
    3    3   -3   -1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -3    1   -1   -0.1961   -0.5866   -0.1976   -0.5890    0.0028    1
    5   -1    1    0    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6    1   -3   -1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -3    3   -1    0.1197   -0.5971    0.1201   -0.5972    0.0004    1
    8   -2    4    0    0.1449   -0.2225    0.1441   -0.2219    0.0010    1
    9   -1   -3   -1   -0.1927    0.0484   -0.1940    0.0483    0.0013    1
   10    0    2    0    0.2267   -0.1282    0.2267   -0.1283    0.0002    1
   11   -1    3   -1    0.5343   -0.6143    0.5314   -0.6143    0.0029    1
   12   -3   -3   -1   -0.1814   -0.0378   -0.1815   -0.0378    0.0002    1
   13    2    4    0    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14    1    5   -1    0.5295   -0.1497    0.5323   -0.1459    0.0047    1
   15   -3   -1   -1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    1    1    0    0.1249    0.0351    0.1256    0.0356    0.0008    1
   17    1    3   -1    0.7283   -0.0808    0.7260   -0.0804    0.0023    1
   18    0    2   -1    1.0587   -0.5127    1.0655   -0.4953    0.0187    1
   19    4    2    0    0.0419    0.0275    0.0407    0.0272    0.0012    1
   20    3    3   -1    0.4419    0.1642    0.4436    0.1639    0.0017    1
   21   -2    0    0   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22    3    1   -1    0.2950    0.3306    0.2970    0.3320    0.0024    1
   23    3   -1   -1    0.0342    0.2666    0.0342    0.2676    0.0010    1

###            No.274                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4089    1.4131    1.0048   90.6783   90.7175   90.8180      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4132    1.4167    0.9990   90.0000   90.0020   90.0000      0.0000         1.4146    1.4181
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0300    0.0185    0.0000    0.9849    0.0000      0.0000         0.0262    0.0252
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0170    0.3800    0.5994)
 a2 = (    0.2185   -0.5601    0.3735)
 a3 = (    0.9495    0.2693   -0.1288)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0273    0.3797    0.5965) (    0.0088    0.0044    0.0028)
 a2 = (    0.2099   -0.5642    0.3687) (    0.0070    0.0141    0.0051)
 a3 = (    0.9549    0.2711   -0.1288) (    0.0179    0.0093    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   58.2200   97.3968  105.8506    0.4287    0.6928    0.4078
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0024    0.0024    0.0152

# Number of computed bands
            400            165
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.6649
# Chi-squares at the beginning and the end of the refinement
    0.2748    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -3    1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -2    4    0   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4    3   -1    1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    1   -1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1    3    1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7    4   -2    0    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    3   -3   -1    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    0    2    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1    1    3   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    1   -1   -3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    3   -1   -3    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15    2    0    2   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    0   -2    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    2    0   -1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19   -1    1   -3    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    1    1   -3    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    0    2   -2    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23   -1    3   -1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    3   -3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -2    4    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    3   -1    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1   -1    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    3    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    4   -2    0    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    3   -3   -1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    0    2    2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    3   -1   -1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    1    1    3   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1   -1   -3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    3   -1   -3    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    2    0    2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0    0   -1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    2    0   -2    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18    2    0   -1    1.0587   -0.5120    1.0655   -0.4953    0.0181    1
   19   -1    1   -3    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    1   -3    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0    2   -2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1    3   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.275                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4086    1.4195    1.0013   89.2222   91.9524   91.6379      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4132    1.4167    0.9990   90.0000   89.9980   90.0000      0.0000         1.4146    1.4181
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0300    0.0185    0.0000    0.9849    0.0000      0.0000         0.0262    0.0252
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0535    0.3847    0.5951)
 a2 = (   -0.2015    0.5697   -0.3627)
 a3 = (   -0.9533   -0.2704    0.1294)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0273    0.3797    0.5965) (    0.0088    0.0044    0.0028)
 a2 = (   -0.2099    0.5642   -0.3687) (    0.0070    0.0141    0.0051)
 a3 = (   -0.9549   -0.2711    0.1288) (    0.0179    0.0093    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  121.7800   82.6032  -74.1494    0.4287    0.6928    0.4078
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0024    0.0024    0.0152

# Number of computed bands
            400            165
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.6649
# Chi-squares at the beginning and the end of the refinement
    0.7584    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3    3   -1   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -2   -4    0   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    3    1   -1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1    1    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -1   -3   -1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    4    2    0    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    3    3    1    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9    0   -2   -2   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    1   -1   -3   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    1    3    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    3    1    3    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    2    0   -2   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    0    2    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    2    0    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -1   -1    3    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    1   -1    3    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1    1   -1   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22    0   -2    2    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -1   -3    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    3    3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -2   -4    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    3    1   -1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1    1    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1   -3   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    4    2    0    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    3    3    1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    0   -2   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1    1    1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    3    1    1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    1   -1   -3   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    3    1    3    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    2    0   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0    0    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    2    0    2    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18    2    0    1    1.0587   -0.5120    1.0655   -0.4953    0.0181    1
   19   -1   -1    3    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1   -1    3    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1    1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0   -2    2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1   -3    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.276                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4262    1.3934    1.0080   92.1278   92.2249   91.0048      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4121    1.4191    0.9981   90.0000   90.0703   90.0000      0.0000         1.4149    1.4218
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0380    0.0217    0.0000    1.1676    0.0000      0.0000         0.0307    0.0281
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1816   -0.5601    0.3819)
 a2 = (   -0.0538    0.3797    0.6074)
 a3 = (   -0.9477   -0.2688    0.1286)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2099   -0.5672    0.3684) (    0.0102    0.0050    0.0063)
 a2 = (   -0.0271    0.3765    0.5951) (    0.0053    0.0152    0.0129)
 a3 = (   -0.9558   -0.2718    0.1284) (    0.0211    0.0111    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   31.6359   82.6747  -74.1837    0.5901    0.6266    0.6841
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0014      0.0021    0.0024    0.0155

# Number of computed bands
            400            145
# Figure of merit at the beginning and the end of the refinement
         4.6807        37.3773
# Chi-squares at the beginning and the end of the refinement
    2.2249    0.0195
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7949   -0.0653   -0.7289   -0.0565    0.0665    0
    2   -3    3   -1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    4   -2    0   -0.0269    0.0968   -0.0241    0.0824    0.0147    1
    4   -1    3   -1   -0.1872   -0.6090   -0.1976   -0.5890    0.0226    1
    5   -1    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    3   -1   -1   -0.1132    0.1311   -0.1046    0.1173    0.0162    1
    7   -2    4    0    0.1320   -0.6023    0.1201   -0.5972    0.0130    1
    8   -3    3    1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    2    0   -2   -0.2103    0.0542   -0.1940    0.0483    0.0173    1
   10   -1    1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -1    3    1    0.5456   -0.6046    0.5314   -0.6143    0.0171    1
   12    1    1   -3   -0.1945   -0.0410   -0.1815   -0.0378    0.0133    1
   13   -1    1    3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -1    3    3    0.5314   -0.1489    0.5323   -0.1459    0.0031    1
   15    0    2   -2   -0.3509   -0.2546   -0.3358   -0.2354    0.0244    0
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    2    2    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    0    2    1    1.0469   -0.4866    1.0655   -0.4953    0.0205    1
   19    1   -1    3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    1    1    3    0.4473    0.1626    0.4436    0.1639    0.0040    1
   21   -1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    2    0    2    0.3070    0.3322    0.2970    0.3320    0.0100    1
   23    3   -1    1    0.0420    0.2801    0.0342    0.2676    0.0147    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7282   -0.0525   -0.7289   -0.0565    0.0041    1
    2   -3    3   -1   -0.0134   -0.1770   -0.0133   -0.1793    0.0023    1
    3    4   -2    0   -0.0249    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    3   -1   -0.1975   -0.5874   -0.1976   -0.5890    0.0016    1
    5   -1    1    0    0.0572   -0.2262    0.0566   -0.2258    0.0008    1
    6    3   -1   -1   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7   -2    4    0    0.1201   -0.5983    0.1201   -0.5972    0.0011    1
    8   -3    3    1    0.1448   -0.2221    0.1441   -0.2219    0.0007    1
    9    2    0   -2   -0.1927    0.0484   -0.1940    0.0483    0.0014    1
   10   -1    1    1    0.2262   -0.1277    0.2267   -0.1283    0.0008    1
   11   -1    3    1    0.5373   -0.6138    0.5314   -0.6143    0.0059    1
   12    1    1   -3   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -1    1    3    0.1970   -0.0087    0.1981   -0.0091    0.0012    1
   14   -1    3    3    0.5291   -0.1480    0.5323   -0.1459    0.0038    1
   15    0    2   -2   -0.3369   -0.2361   -0.3358   -0.2354    0.0013    1
   16    0    0    1    0.1246    0.0347    0.1256    0.0356    0.0013    1
   17    0    2    2    0.7273   -0.0779    0.7260   -0.0804    0.0027    1
   18    0    2    1    1.0631   -0.5067    1.0655   -0.4953    0.0117    1
   19    1   -1    3    0.0421    0.0272    0.0407    0.0272    0.0014    1
   20    1    1    3    0.4404    0.1643    0.4436    0.1639    0.0032    1
   21   -1    1   -1   -0.0348   -0.0604   -0.0357   -0.0605    0.0009    1
   22    2    0    2    0.2942    0.3297    0.2970    0.3320    0.0036    1
   23    3   -1    1    0.0345    0.2665    0.0342    0.2676    0.0012    1

###            No.277                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4007    1.0054    1.4203   90.2494   90.7045   90.3582      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4127    1.0027    1.4119   90.0000   89.7580   90.0000      0.0000         1.0005    0.7102
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0396    0.0192    0.0000    0.8088    0.0000      0.0000         0.0136    0.0272
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3549    0.6171    0.0544)
 a2 = (   -0.1772    0.1938   -0.9594)
 a3 = (   -0.5937    0.3361    0.1743)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3596    0.6078    0.0493) (    0.0059    0.0034    0.0035)
 a2 = (   -0.1821    0.1858   -0.9627) (    0.0124    0.0118    0.0365)
 a3 = (   -0.5977    0.3357    0.1778) (    0.0092    0.0061    0.0057)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  175.8745   75.4393 -119.5709    0.2995    0.4110    0.5800
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            135            163
# Figure of merit at the beginning and the end of the refinement
        13.2783        37.3580
# Chi-squares at the beginning and the end of the refinement
    0.1361    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2    2    0    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -3   -1   -3   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    3   -1    1   -0.1913   -0.5883   -0.1976   -0.5890    0.0064    1
    5    2    0    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1   -3   -0.1042    0.1182   -0.1046    0.1173    0.0010    1
    7    3   -1    3    0.1199   -0.5930    0.1201   -0.5972    0.0042    1
    8    2    0    4    0.1424   -0.2206    0.1441   -0.2219    0.0021    1
    9    1   -1   -3   -0.1994    0.0504   -0.1940    0.0483    0.0058    1
   10    0    0    1    0.2224   -0.1259    0.2267   -0.1283    0.0050    1
   11    1   -1    3    0.5317   -0.6096    0.5314   -0.6143    0.0047    1
   12    3   -1   -3   -0.1896   -0.0407   -0.1815   -0.0378    0.0086    1
   13   -2    0    4    0.1905   -0.0068    0.1981   -0.0091    0.0079    1
   14   -1   -1    5    0.5246   -0.1450    0.5323   -0.1459    0.0077    1
   15    3   -1   -1   -0.3402   -0.2449   -0.3358   -0.2354    0.0105    1
   16   -2    0    2    0.1162    0.0344    0.1256    0.0356    0.0094    1
   17   -1   -1    3    0.7217   -0.0727    0.7260   -0.0804    0.0088    1
   18    0   -2    4    1.0576   -0.5010    1.0655   -0.4953    0.0097    1
   19   -2    0    1    0.0341    0.0235    0.0407    0.0272    0.0076    1
   20   -3   -1    3    0.4295    0.1669    0.4436    0.1639    0.0144    1
   21    2    0    0   -0.0381   -0.0662   -0.0357   -0.0605    0.0062    1
   22   -3   -1    1    0.2810    0.3243    0.2970    0.3320    0.0177    1
   23   -3   -1   -1    0.0317    0.2572    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    2    0    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -3   -1   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    3   -1    1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    2    0    2    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -1   -3   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    3   -1    3    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8    2    0    4    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1   -1   -3   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    0    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -1    3    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    3   -1   -3   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -2    0    4    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -1   -1    5    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    3   -1   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    2    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1   -1    3    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    0   -2    4    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -2    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3   -1    3    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    2    0    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -3   -1    1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -3   -1   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.278                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4158    1.4140    0.9991   89.9588   90.0823   90.1466      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4149    1.4170    0.9976   90.0000   90.1152   90.0000      0.0000         1.4183    1.4204
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0269    0.0179    0.0000    1.0565    0.0000      0.0000         0.0254    0.0244
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2092    0.5651   -0.3684)
 a2 = (   -0.0276    0.3803    0.5956)
 a3 = (    0.9548    0.2708   -0.1296)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2094    0.5656   -0.3685) (    0.0095    0.0041    0.0042)
 a2 = (   -0.0276    0.3778    0.5955) (    0.0035    0.0105    0.0096)
 a3 = (    0.9560    0.2727   -0.1287) (    0.0181    0.0078    0.0046)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -31.7155   97.3134  105.8208    0.3975    0.5462    0.6574
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            169            161
# Figure of merit at the beginning and the end of the refinement
        36.0958        37.1914
# Chi-squares at the beginning and the end of the refinement
    0.0275    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7301   -0.0553   -0.7289   -0.0565    0.0017    1
    2    3    3    1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -4   -2    0   -0.0254    0.0860   -0.0241    0.0824    0.0038    1
    4    1    3    1   -0.1965   -0.5860   -0.1976   -0.5890    0.0032    1
    5    1    1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -3   -1    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    2    4    0    0.1190   -0.5968    0.1201   -0.5972    0.0011    1
    8    3    3   -1    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -2    0    2   -0.1929    0.0488   -0.1940    0.0483    0.0013    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3   -1    0.5339   -0.6146    0.5314   -0.6143    0.0025    1
   12   -1    1    3   -0.1812   -0.0373   -0.1815   -0.0378    0.0006    1
   13    1    1   -3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1    3   -3    0.5300   -0.1501    0.5323   -0.1459    0.0047    1
   15    0    2    2   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    2   -2    0.7291   -0.0813    0.7260   -0.0804    0.0032    1
   18    0    2   -1    1.0586   -0.5134    1.0655   -0.4953    0.0194    1
   19   -1   -1   -3    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1    1   -3    0.4430    0.1647    0.4436    0.1639    0.0010    1
   21    1    1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -2    0   -2    0.2959    0.3318    0.2970    0.3320    0.0011    1
   23   -3   -1   -1    0.0342    0.2681    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2    3    3    1   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -4   -2    0   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4    1    3    1   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    1    1    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -3   -1    1   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7    2    4    0    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8    3    3   -1    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9   -2    0    2   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1    1   -1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11    1    3   -1    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12   -1    1    3   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13    1    1   -3    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    1    3   -3    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15    0    2    2   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16    0    0   -1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17    0    2   -2    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18    0    2   -1    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19   -1   -1   -3    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -1    1   -3    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21    1    1    1   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22   -2    0   -2    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23   -3   -1   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.279                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4148    1.4108    1.0021   90.3114   90.3879   90.1963      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4149    1.4170    0.9976   90.0000   90.1152   90.0000      0.0000         1.4183    1.4204
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0269    0.0179    0.0000    1.0565    0.0000      0.0000         0.0254    0.0244
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2051   -0.5652    0.3717)
 a2 = (   -0.0314    0.3789    0.5982)
 a3 = (   -0.9522   -0.2701    0.1275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2094   -0.5656    0.3685) (    0.0095    0.0041    0.0042)
 a2 = (   -0.0276    0.3778    0.5955) (    0.0035    0.0105    0.0096)
 a3 = (   -0.9560   -0.2727    0.1287) (    0.0181    0.0078    0.0046)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   31.7155   82.6866  -74.1792    0.3975    0.5462    0.6574
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            163            161
# Figure of merit at the beginning and the end of the refinement
        22.0792        37.1914
# Chi-squares at the beginning and the end of the refinement
    0.1104    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2   -3    3   -1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    4   -2    0   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4   -1    3   -1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5   -1    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    3   -1   -1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7   -2    4    0    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8   -3    3    1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    2    0   -2   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10   -1    1    1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -1    3    1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    1    1   -3   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13   -1    1    3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -1    3    3    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15    0    2   -2   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    0    1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    0    2    2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    0    2    1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    1   -1    3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    1    1    3    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21   -1    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    0    2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    3   -1    1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2   -3    3   -1   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3    4   -2    0   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    3   -1   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5   -1    1    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    3   -1   -1   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7   -2    4    0    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8   -3    3    1    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9    2    0   -2   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10   -1    1    1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1    3    1    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12    1    1   -3   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13   -1    1    3    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1    3    3    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15    0    2   -2   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16    0    0    1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17    0    2    2    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18    0    2    1    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19    1   -1    3    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    1    1    3    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21   -1    1   -1   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22    2    0    2    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23    3   -1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.280                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9982    1.4195    1.4118   90.3082   90.8218   90.5735      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9973    1.4156    1.4166   90.0000   89.8767   90.0000      0.0000         0.7040    0.9993
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0244    0.0240    0.0000    0.8839    0.0000      0.0000         0.0119    0.0195
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9567   -0.2692    0.1274)
 a2 = (   -0.2143    0.5608   -0.3687)
 a3 = (    0.0171   -0.3810   -0.5970)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9566   -0.2715    0.1290) (    0.0020    0.0073    0.0055)
 a2 = (   -0.2100    0.5649   -0.3684) (    0.0063    0.0113    0.0051)
 a3 = (    0.0285   -0.3778   -0.5956) (    0.0078    0.0082    0.0099)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  166.1390  147.5067    4.0871    0.5766    0.4128    0.7056
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
            143            165
# Figure of merit at the beginning and the end of the refinement
        18.7542        37.1679
# Chi-squares at the beginning and the end of the refinement
    0.1560    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7221   -0.0560   -0.7289   -0.0565    0.0068    1
    2   -1    3   -3   -0.0152   -0.1789   -0.0133   -0.1793    0.0020    1
    3    0   -2    1   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4   -1    1   -3   -0.2048   -0.5845   -0.1976   -0.5890    0.0084    1
    5    0    2   -2    0.0562   -0.2286    0.0566   -0.2258    0.0028    1
    6   -1   -3    1   -0.1058    0.1174   -0.1046    0.1173    0.0012    1
    7    0    2   -4    0.1132   -0.6026    0.1201   -0.5972    0.0088    1
    8    1    3   -3    0.1448   -0.2242    0.1441   -0.2219    0.0024    1
    9   -1   -1    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1   -3    0.5332   -0.6259    0.5314   -0.6143    0.0117    1
   12   -3   -1   -1   -0.1826   -0.0374   -0.1815   -0.0378    0.0011    1
   13    3    1   -1    0.1964   -0.0085    0.1981   -0.0091    0.0018    1
   14    3    1   -3    0.5320   -0.1521    0.5323   -0.1459    0.0061    1
   15   -2    0   -2   -0.3379   -0.2339   -0.3358   -0.2354    0.0027    1
   16    2    0    0    0.1234    0.0347    0.1256    0.0356    0.0024    1
   17    2    0   -2    0.7342   -0.0843    0.7260   -0.0804    0.0091    1
   18    2    0   -4    1.0690   -0.5318    1.0655   -0.4953    0.0367    1
   19    3   -1    1    0.0405    0.0268    0.0407    0.0272    0.0005    1
   20    3   -1   -1    0.4437    0.1639    0.4436    0.1639    0.0001    1
   21   -1    1   -1   -0.0367   -0.0613   -0.0357   -0.0605    0.0013    1
   22    1   -1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -3    1    0.0342    0.2685    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -1    3   -3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0   -2    1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4   -1    1   -3   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    0    2   -2    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6   -1   -3    1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    0    2   -4    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8    1    3   -3    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9   -1   -1    0   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    1    1   -1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11    1    1   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -3   -1   -1   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13    3    1   -1    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14    3    1   -3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15   -2    0   -2   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16    2    0    0    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17    2    0   -2    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18    2    0   -4    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19    3   -1    1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20    3   -1   -1    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21   -1    1   -1   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22    1   -1    0    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23    1   -3    1    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.281                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0001    1.4100    1.4185   90.0954   91.1136   90.1116      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9973    1.4156    1.4166   90.0000   89.8767   90.0000      0.0000         0.7040    0.9993
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0244    0.0240    0.0000    0.8839    0.0000      0.0000         0.0119    0.0195
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9523    0.2778   -0.1270)
 a2 = (   -0.2132    0.5680   -0.3672)
 a3 = (   -0.0170    0.3792    0.5942)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9566    0.2715   -0.1290) (    0.0020    0.0073    0.0055)
 a2 = (   -0.2100    0.5649   -0.3684) (    0.0063    0.0113    0.0051)
 a3 = (   -0.0285    0.3778    0.5956) (    0.0078    0.0082    0.0099)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.1390   32.4933 -175.9129    0.5766    0.4128    0.7056
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
            133            165
# Figure of merit at the beginning and the end of the refinement
        18.1537        37.1679
# Chi-squares at the beginning and the end of the refinement
    0.1145    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7221   -0.0560   -0.7289   -0.0565    0.0068    1
    2    1    3    3   -0.0148   -0.1763   -0.0133   -0.1793    0.0034    1
    3    0   -2   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    1    3   -0.2011   -0.5797   -0.1976   -0.5890    0.0099    1
    5    0    2    2    0.0550   -0.2262    0.0566   -0.2258    0.0016    1
    6    1   -3   -1   -0.1047    0.1174   -0.1046    0.1173    0.0002    1
    7    0    2    4    0.1115   -0.5982    0.1201   -0.5972    0.0087    1
    8   -1    3    3    0.1431   -0.2234    0.1441   -0.2219    0.0017    1
    9    1   -1    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    3    0.5332   -0.6259    0.5314   -0.6143    0.0117    1
   12    3   -1    1   -0.1819   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -3    1    1    0.1967   -0.0073    0.1981   -0.0091    0.0023    1
   14   -3    1    3    0.5339   -0.1492    0.5323   -0.1459    0.0036    1
   15    2    0    2   -0.3344   -0.2349   -0.3358   -0.2354    0.0015    1
   16   -2    0    0    0.1229    0.0359    0.1256    0.0356    0.0027    1
   17   -2    0    2    0.7360   -0.0770    0.7260   -0.0804    0.0105    1
   18   -2    0    4    1.0777   -0.5252    1.0655   -0.4953    0.0324    1
   19   -3   -1   -1    0.0402    0.0273    0.0407    0.0272    0.0005    1
   20   -3   -1    1    0.4397    0.1689    0.4436    0.1639    0.0064    1
   21    1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -1    0    0.2895    0.3313    0.2970    0.3320    0.0075    1
   23   -1   -3   -1    0.0331    0.2646    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2    1    3    3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0   -2   -1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4    1    1    3   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    0    2    2    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6    1   -3   -1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    0    2    4    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8   -1    3    3    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9    1   -1    0   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10   -1    1    1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11   -1    1    3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    3   -1    1   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -3    1    1    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14   -3    1    3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15    2    0    2   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16   -2    0    0    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17   -2    0    2    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18   -2    0    4    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19   -3   -1   -1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20   -3   -1    1    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21    1    1    1   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22   -1   -1    0    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23   -1   -3   -1    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.282                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0006    1.4170    1.4106   90.0240   90.3301   89.5247      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9973    1.4156    1.4166   90.0000   90.1233   90.0000      0.0000         0.7040    0.9993
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0244    0.0240    0.0000    0.8839    0.0000      0.0000         0.0119    0.0195
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9531    0.2716   -0.1294)
 a2 = (    0.2051   -0.5646    0.3704)
 a3 = (    0.0317   -0.3806   -0.5972)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9566    0.2715   -0.1290) (    0.0020    0.0073    0.0055)
 a2 = (    0.2100   -0.5649    0.3684) (    0.0063    0.0113    0.0051)
 a3 = (    0.0285   -0.3778   -0.5956) (    0.0078    0.0082    0.0099)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.8610  147.5067    4.0871    0.5766    0.4128    0.7056
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
            159            165
# Figure of merit at the beginning and the end of the refinement
        28.2297        37.1679
# Chi-squares at the beginning and the end of the refinement
    0.0374    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7397   -0.0576   -0.7289   -0.0565    0.0108    1
    2    1   -3   -3   -0.0138   -0.1763   -0.0133   -0.1793    0.0031    1
    3    0    2    1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    1   -1   -3   -0.1944   -0.5889   -0.1976   -0.5890    0.0032    1
    5    0   -2   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    3    1   -0.1059    0.1194   -0.1046    0.1173    0.0024    1
    7    0   -2   -4    0.1209   -0.5970    0.1201   -0.5972    0.0008    1
    8   -1   -3   -3    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    1    0   -0.1956    0.0495   -0.1940    0.0483    0.0020    1
   10   -1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1   -3    0.5354   -0.6130    0.5314   -0.6143    0.0042    1
   12    3    1   -1   -0.1832   -0.0381   -0.1815   -0.0378    0.0017    1
   13   -3   -1   -1    0.1983   -0.0083    0.1981   -0.0091    0.0008    1
   14   -3   -1   -3    0.5305   -0.1497    0.5323   -0.1459    0.0042    1
   15    2    0   -2   -0.3383   -0.2395   -0.3358   -0.2354    0.0048    1
   16   -2    0    0    0.1255    0.0358    0.1256    0.0356    0.0002    1
   17   -2    0   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -2    0   -4    1.0571   -0.5092    1.0655   -0.4953    0.0163    1
   19   -3    1    1    0.0424    0.0285    0.0407    0.0272    0.0021    1
   20   -3    1   -1    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    1   -1   -1   -0.0350   -0.0595   -0.0357   -0.0605    0.0013    1
   22   -1    1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    3    1    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2    1   -3   -3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0    2    1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4    1   -1   -3   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    0   -2   -2    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6    1    3    1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    0   -2   -4    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8   -1   -3   -3    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9    1    1    0   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10   -1   -1   -1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11   -1   -1   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    3    1   -1   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -3   -1   -1    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14   -3   -1   -3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15    2    0   -2   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16   -2    0    0    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17   -2    0   -2    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18   -2    0   -4    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19   -3    1    1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20   -3    1   -1    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21    1   -1   -1   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22   -1    1    0    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23   -1    3    1    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.284                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4013    1.4486    0.9855   90.2684   90.9158   90.7237      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4136    1.4137    1.0008   90.0000   90.0620   90.0000      0.0000         1.4125    1.4126
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0370    0.0187    0.0000    1.0999    0.0000      0.0000         0.0264    0.0290
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4026    0.2277   -0.5436)
 a2 = (    0.5507    0.0427    0.4142)
 a3 = (    0.2550   -0.9544   -0.2323)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3856    0.2284   -0.5473) (    0.0060    0.0088    0.0046)
 a2 = (    0.5688    0.0424    0.4184) (    0.0181    0.0058    0.0069)
 a3 = (    0.2377   -0.9434   -0.2276) (    0.0091    0.0184    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -52.6057  103.1196   14.1032    0.5546    0.7113    0.4481
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0038      0.0024    0.0023    0.0136

# Number of computed bands
            400            169
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.1034
# Chi-squares at the beginning and the end of the refinement
    0.4370    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    1    1   -3   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -1    1    3   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    0    2   -2   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    0    0   -1    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6    0    2    2   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7   -1    1   -3    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8   -1   -1   -3    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9    1    3    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10   -1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    0   -2    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    2    4    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3   -3   -1    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14   -4   -2   -2    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    1    3   -1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16   -1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1   -1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18   -2    0   -1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -3   -3    1    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20   -4   -2    0    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1    1   -1   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22   -3   -1    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -2    0    2    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2    1    1   -3   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -1    1    3   -0.0251    0.0854   -0.0241    0.0824    0.0032    1
    4    0    2   -2   -0.1966   -0.5871   -0.1976   -0.5890    0.0021    1
    5    0    0   -1    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6    0    2    2   -0.1044    0.1167   -0.1046    0.1173    0.0007    1
    7   -1    1   -3    0.1201   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1   -1   -3    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9    1    3    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1   -1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2    0   -2    0.5352   -0.6140    0.5314   -0.6143    0.0038    1
   12    2    4    0   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -3   -3   -1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -4   -2   -2    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15    1    3   -1   -0.3367   -0.2366   -0.3358   -0.2354    0.0015    1
   16   -1   -1    0    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -3   -1   -1    0.7281   -0.0804    0.7260   -0.0804    0.0021    1
   18   -2    0   -1    1.0597   -0.5114    1.0655   -0.4953    0.0171    1
   19   -3   -3    1    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20   -4   -2    0    0.4420    0.1641    0.4436    0.1639    0.0016    1
   21    1    1   -1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22   -3   -1    1    0.2953    0.3308    0.2970    0.3320    0.0020    1
   23   -2    0    2    0.0342    0.2671    0.0342    0.2676    0.0005    1

###            No.285                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4154    1.4164    0.9976   89.9322   90.1430   90.2507      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4176    1.4084    1.0017   90.0000   90.0332   90.0000      0.0000         1.4151    1.4060
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0316    0.0191    0.0000    0.8480    0.0000      0.0000         0.0270    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5683    0.0441    0.4174)
 a2 = (    0.3868    0.2269   -0.5453)
 a3 = (   -0.2372    0.9470    0.2272)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5664    0.0418    0.4184) (    0.0037    0.0069    0.0050)
 a2 = (    0.3881    0.2301   -0.5483) (    0.0132    0.0059    0.0097)
 a3 = (   -0.2371    0.9426    0.2278) (    0.0091    0.0183    0.0066)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  142.4688   76.8313 -165.8524    0.4888    0.4746    0.4503
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            159            165
# Figure of merit at the beginning and the end of the refinement
        31.8190        37.0844
# Chi-squares at the beginning and the end of the refinement
    0.0516    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    1    1    3   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1   -1   -3   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4    2    0    2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2    0   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1   -1    3    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8   -1   -1    3    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    3    1   -1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10   -1   -1    1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    0   -2    2    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    4    2    0   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -3   -3    1    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -2   -4    2    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15    3    1    1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16   -1   -1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1   -3    1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18    0   -2    1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19   -3   -3   -1    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -2   -4    0    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21    1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3   -1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    0   -2   -2    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    0   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    1    1    3   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -1   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0    2   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    0    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0   -2   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    1   -1    3    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -1   -1    3    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    3    1   -1   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -2    2    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    4    2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3   -3    1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -4    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    3    1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    0    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17   -1   -3    1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    0   -2    1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -3   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2   -4    0    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -3   -1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    0   -2   -2    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.288                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4199    1.4076    1.0007   90.0757   90.1523   90.2781      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4176    1.4084    1.0017   90.0000   90.0332   90.0000      0.0000         1.4151    1.4060
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0316    0.0191    0.0000    0.8480    0.0000      0.0000         0.0270    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5629   -0.0419   -0.4212)
 a2 = (    0.3893    0.2282   -0.5487)
 a3 = (    0.2365   -0.9441   -0.2265)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5664   -0.0418   -0.4184) (    0.0037    0.0069    0.0050)
 a2 = (    0.3881    0.2301   -0.5483) (    0.0132    0.0059    0.0097)
 a3 = (    0.2371   -0.9426   -0.2278) (    0.0091    0.0183    0.0066)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -142.4688  103.1687   14.1476    0.4888    0.4746    0.4503
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            163            165
# Figure of merit at the beginning and the end of the refinement
        22.0792        37.0844
# Chi-squares at the beginning and the end of the refinement
    0.0683    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2   -1    1   -3   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3   -1   -1    3   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4   -2    0   -2   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    0    2   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7   -1   -1   -3    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    1   -1   -3    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9   -3    1    1   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    1   -1   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    0   -2   -2    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12   -4    2    0   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    3   -3   -1    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    2   -4   -2    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15   -3    1   -1   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    1   -1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1   -3   -1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    0   -2   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    3   -3    1    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    2   -4    0    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21   -1    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    0   -2    2    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2   -1    1   -3   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -1    3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0   -2   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    0    0   -1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -1   -1   -3    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8    1   -1   -3    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -3    1    1   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -2   -2    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12   -4    2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3   -3   -1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2   -4   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -3    1   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1    0    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    1   -3   -1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    0   -2   -1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19    3   -3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2   -4    0    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21   -1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -3    1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    0   -2    2    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.295                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4131    1.4168    0.9990   90.0084   90.0667   90.3304      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4166    1.4156    0.9973   90.0000   89.8767   90.0000      0.0000         1.4204    1.4194
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0276    0.0169    0.0000    0.8839    0.0000      0.0000         0.0241    0.0245
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0278   -0.3821   -0.5950)
 a2 = (    0.2094   -0.5649    0.3678)
 a3 = (   -0.9551   -0.2709    0.1279)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0285   -0.3778   -0.5956) (    0.0077    0.0041    0.0026)
 a2 = (    0.2100   -0.5649    0.3684) (    0.0064    0.0130    0.0049)
 a3 = (   -0.9566   -0.2715    0.1290) (    0.0164    0.0087    0.0055)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -58.2774   82.7107  -74.0907    0.4007    0.6065    0.3892
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
            159            171
# Figure of merit at the beginning and the end of the refinement
        31.8190        36.5100
# Chi-squares at the beginning and the end of the refinement
    0.0575    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2   -3   -3   -1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    2    4    0   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4   -3   -1   -1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5   -1   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    3   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -4   -2    0    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8   -3   -3    1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    0    2   -2   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10   -1   -1    1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -3   -1    1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12   -1    1   -3   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -1   -1    3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -3   -1    3    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15   -2    0   -2   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    0    0    1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -2    0    2    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18   -2    0    1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19    1    1    3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -1    1    3    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21   -1   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    2    2    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    1    3    1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -3   -3   -1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    2    4    0   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4   -3   -1   -1   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5   -1   -1    0    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6    1    3   -1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7   -4   -2    0    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8   -3   -3    1    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9    0    2   -2   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10   -1   -1    1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11   -3   -1    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    1   -3   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -1   -1    3    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14   -3   -1    3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15   -2    0   -2   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16    0    0    1    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17   -2    0    2    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18   -2    0    1    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19    1    1    3    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20   -1    1    3    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21   -1   -1   -1   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22    0    2    2    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23    1    3    1    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.296                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4101    1.4171    1.0009   90.3996   90.4364   90.1794      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4166    1.4156    0.9973   90.0000   89.8767   90.0000      0.0000         1.4204    1.4194
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0276    0.0169    0.0000    0.8839    0.0000      0.0000         0.0241    0.0245
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0217    0.3826    0.5967)
 a2 = (    0.2147   -0.5611    0.3703)
 a3 = (    0.9531    0.2703   -0.1296)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0285    0.3778    0.5956) (    0.0077    0.0041    0.0026)
 a2 = (    0.2100   -0.5649    0.3684) (    0.0064    0.0130    0.0049)
 a3 = (    0.9566    0.2715   -0.1290) (    0.0164    0.0087    0.0055)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   58.2774   97.2893  105.9093    0.4007    0.6065    0.3892
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
            145            172
# Figure of merit at the beginning and the end of the refinement
        20.8895        36.4037
# Chi-squares at the beginning and the end of the refinement
    0.1322    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7260   -0.0582   -0.7289   -0.0565    0.0034    1
    2    3   -3    1   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -2    4    0   -0.0263    0.0877   -0.0241    0.0824    0.0057    1
    4    3   -1    1   -0.1988   -0.5843   -0.1976   -0.5890    0.0048    1
    5    1   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    3    1   -0.1065    0.1181   -0.1046    0.1173    0.0020    1
    7    4   -2    0    0.1164   -0.5980    0.1201   -0.5972    0.0038    1
    8    3   -3   -1    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9    0    2    2   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1   -1    0.5322   -0.6210    0.5314   -0.6143    0.0068    1
   12    1    1    3   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    1   -1   -3    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    3   -1   -3    0.5326   -0.1524    0.5323   -0.1459    0.0064    1
   15    2    0    2   -0.3362   -0.2357   -0.3358   -0.2354    0.0006    1
   16    0    0   -1    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    2    0   -2    0.7354   -0.0847    0.7260   -0.0804    0.0103    1
   18    2    0   -1    1.0650   -0.5290    1.0655   -0.4953    0.0337    1
   19   -1    1   -3    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    1    1   -3    0.4470    0.1659    0.4436    0.1639    0.0040    1
   21    1   -1    1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    0    2   -2    0.2985    0.3361    0.2970    0.3320    0.0044    1
   23   -1    3   -1    0.0334    0.2714    0.0342    0.2676    0.0039    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2    3   -3    1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -2    4    0   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4    3   -1    1   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    1   -1    0    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6   -1    3    1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    4   -2    0    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8    3   -3   -1    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9    0    2    2   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    1   -1   -1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11    3   -1   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    1    3   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13    1   -1   -3    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14    3   -1   -3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15    2    0    2   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16    0    0   -1    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17    2    0   -2    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18    2    0   -1    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19   -1    1   -3    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20    1    1   -3    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21    1   -1    1   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22    0    2   -2    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23   -1    3   -1    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.297                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0140    1.4061    1.4030   90.0073   90.2675   90.7474      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0055    1.4113    1.4094   90.0000   89.6137   90.0000      0.0000         0.7134    1.0014
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0582    0.0626    0.0000    1.2076    0.0000      0.0000         0.0317    0.0142
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1711    0.1734   -0.9558)
 a2 = (    0.5994   -0.3389   -0.1783)
 a3 = (   -0.3611   -0.6125   -0.0500)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1784    0.1896   -0.9599) (    0.0125    0.0138    0.0019)
 a2 = (    0.5973   -0.3373   -0.1777) (    0.0252    0.0157    0.0043)
 a3 = (   -0.3590   -0.6101   -0.0488) (    0.0167    0.0272    0.0040)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -104.5634   94.3203  -30.5732    0.4386    0.9325    0.4456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            161            161
# Figure of merit at the beginning and the end of the refinement
        12.9389        36.2698
# Chi-squares at the beginning and the end of the refinement
    0.4250    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7256   -0.0643   -0.7289   -0.0565    0.0085    1
    2    0   -2   -4   -0.0139   -0.1768   -0.0133   -0.1793    0.0026    1
    3   -1    3    3   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1   -1   -3   -0.1893   -0.5791   -0.1976   -0.5890    0.0129    1
    5    0   -2   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    3    1   -0.1022    0.1145   -0.1046    0.1173    0.0037    1
    7   -1   -3   -3    0.1192   -0.5878    0.1201   -0.5972    0.0094    1
    8    0   -2   -1    0.1439   -0.2217    0.1441   -0.2219    0.0003    1
    9   -1    3   -1   -0.1903    0.0472   -0.1940    0.0483    0.0039    1
   10    0   -2    0    0.2255   -0.1275    0.2267   -0.1283    0.0015    1
   11   -1   -3   -1    0.5240   -0.6026    0.5314   -0.6143    0.0138    1
   12   -1    3   -3   -0.1789   -0.0380   -0.1815   -0.0378    0.0026    1
   13    0   -2    1    0.1963   -0.0082    0.1981   -0.0091    0.0020    1
   14   -1   -5    1    0.5216   -0.1487    0.5323   -0.1459    0.0110    1
   15   -1    1   -3   -0.3310   -0.2367   -0.3358   -0.2354    0.0049    1
   16    0   -2    2    0.1236    0.0352    0.1256    0.0356    0.0020    1
   17   -1   -3    1    0.7151   -0.0830    0.7260   -0.0804    0.0112    1
   18   -2   -4    0    1.0292   -0.5051    1.0655   -0.4953    0.0376    1
   19    0   -2    4    0.0409    0.0275    0.0407    0.0272    0.0003    1
   20   -1   -3    3    0.4361    0.1600    0.4436    0.1639    0.0084    1
   21    0    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -1    3    0.2928    0.3239    0.2970    0.3320    0.0091    1
   23   -1    1    3    0.0349    0.2624    0.0342    0.2676    0.0053    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    0   -2   -4   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1    3    3   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -1   -1   -3   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    0   -2   -2    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1    3    1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7   -1   -3   -3    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    0   -2   -1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1    3   -1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0   -2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1   -3   -1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12   -1    3   -3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0   -2    1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1   -5    1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -1    1   -3   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    0   -2    2    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1   -3    1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18   -2   -4    0    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    0   -2    4    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -1   -3    3    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    0    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -1   -1    3    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -1    1    3    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.299                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9990    1.4097    1.4203   90.0530   90.2262   89.7510      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0055    1.4113    1.4094   90.0000   90.3863   90.0000      0.0000         0.7134    1.0014
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0582    0.0626    0.0000    1.2076    0.0000      0.0000         0.0317    0.0142
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1775    0.1886   -0.9670)
 a2 = (   -0.5974    0.3382    0.1788)
 a3 = (    0.3566    0.6051    0.0496)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1784    0.1896   -0.9599) (    0.0125    0.0138    0.0019)
 a2 = (   -0.5973    0.3373    0.1777) (    0.0252    0.0157    0.0043)
 a3 = (    0.3590    0.6101    0.0488) (    0.0167    0.0272    0.0040)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -75.4366   85.6797  149.4268    0.4386    0.9325    0.4456
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            163            161
# Figure of merit at the beginning and the end of the refinement
        27.3371        36.2698
# Chi-squares at the beginning and the end of the refinement
    0.0630    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7368   -0.0510   -0.7289   -0.0565    0.0096    1
    2    0    2    4   -0.0134   -0.1786   -0.0133   -0.1793    0.0007    1
    3   -1   -3   -3   -0.0255    0.0857   -0.0241    0.0824    0.0036    1
    4   -1    1    3   -0.1965   -0.5939   -0.1976   -0.5890    0.0051    1
    5    0    2    2    0.0580   -0.2274    0.0566   -0.2258    0.0022    1
    6   -1   -3   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    3    3    0.1238   -0.6001    0.1201   -0.5972    0.0047    1
    8    0    2    1    0.1456   -0.2226    0.1441   -0.2219    0.0016    1
    9   -1   -3    1   -0.1936    0.0498   -0.1940    0.0483    0.0015    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    1    0.5381   -0.6122    0.5314   -0.6143    0.0070    1
   12   -1   -3    3   -0.1832   -0.0369   -0.1815   -0.0378    0.0019    1
   13    0    2   -1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -1    5   -1    0.5296   -0.1501    0.5323   -0.1459    0.0050    1
   15   -1   -1    3   -0.3414   -0.2384   -0.3358   -0.2354    0.0064    1
   16    0    2   -2    0.1256    0.0351    0.1256    0.0356    0.0005    1
   17   -1    3   -1    0.7284   -0.0817    0.7260   -0.0804    0.0027    1
   18   -2    4    0    1.0587   -0.5077    1.0655   -0.4953    0.0142    1
   19    0    2   -4    0.0421    0.0280    0.0407    0.0272    0.0015    1
   20   -1    3   -3    0.4443    0.1637    0.4436    0.1639    0.0007    1
   21    0    0    1   -0.0359   -0.0609   -0.0357   -0.0605    0.0004    1
   22   -1    1   -3    0.2974    0.3325    0.2970    0.3320    0.0007    1
   23   -1   -1   -3    0.0338    0.2687    0.0342    0.2676    0.0011    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    0    2    4   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -3   -3   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -1    1    3   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    0    2    2    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1   -3   -1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7   -1    3    3    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    0    2    1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1   -3    1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1    3    1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12   -1   -3    3   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0    2   -1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1    5   -1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -1   -1    3   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    0    2   -2    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1    3   -1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18   -2    4    0    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    0    2   -4    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -1    3   -3    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -1    1   -3    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -1   -1   -3    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.305                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.6243    1.5709    0.7842   89.9640   90.1531   91.7870      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5885    1.5857    0.7940   90.0000   90.1332   90.0000      0.0000         2.0006    1.9970
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.1380    0.0669    0.0000    2.4344    0.0000      0.0000         0.1684    0.0296
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0943    0.1179   -0.5971)
 a2 = (    0.6075    0.1723   -0.0824)
 a3 = (    0.3018   -1.2048   -0.2891)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1150    0.1163   -0.6079) (    0.0043    0.0155    0.0031)
 a2 = (    0.6016    0.1708   -0.0812) (    0.0533    0.0142    0.0037)
 a3 = (    0.2989   -1.1893   -0.2870) (    0.0301    0.1048    0.0081)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -97.5910  103.0417   14.1281    0.4811    1.3827    0.3754
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0026      0.0024    0.0024    0.0902

# Number of computed bands
            400            180
# Figure of merit at the beginning and the end of the refinement
         5.3861        36.1308
# Chi-squares at the beginning and the end of the refinement
    1.6184    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    2   -3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -2    0    3   -0.0223    0.0786   -0.0241    0.0824    0.0042    1
    4   -1    1   -1   -0.1842   -0.5798   -0.1976   -0.5890    0.0162    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1    1   -0.0971    0.1113   -0.1046    0.1173    0.0096    1
    7   -2    0   -3    0.1239   -0.5839    0.1201   -0.5972    0.0138    1
    8    0   -2   -3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -2    4    1   -0.1848    0.0475   -0.1940    0.0483    0.0093    1
   10    0   -2   -1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -1   -1   -1    0.5261   -0.5904    0.5314   -0.6143    0.0245    1
   12   -1    3    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    0   -6   -1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -1   -3   -1    0.5176   -0.1453    0.5323   -0.1459    0.0147    1
   15   -2    4   -1   -0.3292   -0.2356   -0.3358   -0.2354    0.0066    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -4   -1    0.7044   -0.0775    0.7260   -0.0804    0.0218    1
   18   -2   -2   -1    1.0164   -0.4778    1.0655   -0.4953    0.0521    0
   19    0   -6    1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -1   -3    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    0    2   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -2   -4    1    0.2886    0.3169    0.2970    0.3320    0.0172    1
   23   -1   -1    1    0.0362    0.2561    0.0342    0.2676    0.0118    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    0    2   -3   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -2    0    3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1    1   -1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    0    0   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -2    0   -3    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    0   -2   -3    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9   -2    4    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    0   -2   -1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1   -1   -1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1    3    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    0   -6   -1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -1   -3   -1    0.5293   -0.1494    0.5323   -0.1459    0.0045    1
   15   -2    4   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0   -2    0    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17   -2   -4   -1    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18   -2   -2   -1    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19    0   -6    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -1   -3    0    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    0    2   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2   -4    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1   -1    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.307                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4154    1.4160    0.9980   90.2201   90.6172   90.0108      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4094    1.4113    1.0055   90.0000   89.6137   90.0000      0.0000         1.4017    1.4037
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.0200    0.0448    0.0000    1.2076    0.0000      0.0000         0.0624    0.0580
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3583   -0.6070   -0.0484)
 a2 = (   -0.5947    0.3367    0.1780)
 a3 = (   -0.1930    0.1785   -0.9670)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3590   -0.6101   -0.0488) (    0.0035    0.0022    0.0046)
 a2 = (   -0.5973    0.3373    0.1777) (    0.0089    0.0054    0.0062)
 a3 = (   -0.1784    0.1896   -0.9599) (    0.0190    0.0144    0.0417)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -15.3487  164.9293 -135.3203    1.2543    0.4786    1.3213
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            145            163
# Figure of merit at the beginning and the end of the refinement
        20.8895        36.0466
# Chi-squares at the beginning and the end of the refinement
    0.0861    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7260   -0.0582   -0.7289   -0.0565    0.0034    1
    2   -4    2    0   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    3   -3   -1   -0.0263    0.0877   -0.0241    0.0824    0.0057    1
    4   -3    1   -1   -0.1988   -0.5843   -0.1976   -0.5890    0.0048    1
    5   -1    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -3   -1   -0.1065    0.1181   -0.1046    0.1173    0.0020    1
    7   -3    3   -1    0.1164   -0.5980    0.1201   -0.5972    0.0038    1
    8   -2    4    0    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -3   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3   -1    0.5322   -0.6210    0.5314   -0.6143    0.0068    1
   12   -3   -3   -1   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    2    4    0    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    1    5   -1    0.5326   -0.1524    0.5323   -0.1459    0.0064    1
   15   -3   -1   -1   -0.3362   -0.2357   -0.3358   -0.2354    0.0006    1
   16    1    1    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    1    3   -1    0.7354   -0.0847    0.7260   -0.0804    0.0103    1
   18    0    2   -1    1.0650   -0.5290    1.0655   -0.4953    0.0337    1
   19    4    2    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    3    3   -1    0.4470    0.1659    0.4436    0.1639    0.0040    1
   21   -2    0    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    3    1   -1    0.2985    0.3361    0.2970    0.3320    0.0044    1
   23    3   -1   -1    0.0334    0.2714    0.0342    0.2676    0.0039    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2   -4    2    0   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3   -3   -1   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -3    1   -1   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5   -1    1    0    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    1   -3   -1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7   -3    3   -1    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8   -2    4    0    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1   -3   -1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1    3   -1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12   -3   -3   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    2    4    0    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1    5   -1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -3   -1   -1   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    1    1    0    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17    1    3   -1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    0    2   -1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    4    2    0    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20    3    3   -1    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21   -2    0    0   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22    3    1   -1    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23    3   -1   -1    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.309                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4112    1.4125    1.0034   90.0760   90.1341   90.0797      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4094    1.4113    1.0055   90.0000   89.6137   90.0000      0.0000         1.4017    1.4037
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.0200    0.0448    0.0000    1.2076    0.0000      0.0000         0.0624    0.0580
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3590    0.6090    0.0497)
 a2 = (   -0.5962    0.3381    0.1776)
 a3 = (    0.1815   -0.1828    0.9628)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3590    0.6101    0.0488) (    0.0035    0.0022    0.0046)
 a2 = (   -0.5973    0.3373    0.1777) (    0.0089    0.0054    0.0062)
 a3 = (    0.1784   -0.1896    0.9599) (    0.0190    0.0144    0.0417)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   15.3487   15.0707   44.6797    1.2543    0.4786    1.3213
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            159            163
# Figure of merit at the beginning and the end of the refinement
        31.8190        36.0466
# Chi-squares at the beginning and the end of the refinement
    0.0285    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    4    2    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3   -3   -3    1   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4    3    1    1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    1    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -3    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    3    3    1    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8    2    4    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1   -3    1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10    0    2    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1    3    1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    3   -3    1   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -2    4    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -1    5    1    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15    3   -1    1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16   -1    1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1    3    1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18    0    2    1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19   -4    2    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -3    3    1    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21    2    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3    1    1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23   -3   -1    1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    4    2    0   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3   -3    1   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4    3    1    1   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    1    1    0    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1   -3    1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    3    3    1    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    2    4    0    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9    1   -3    1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    1    3    1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12    3   -3    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -2    4    0    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1    5    1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15    3   -1    1   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16   -1    1    0    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1    3    1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    0    2    1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19   -4    2    0    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -3    3    1    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    2    0    0   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -3    1    1    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -3   -1    1    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.311                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.6056    1.5789    0.7891   89.5359   90.4988   90.7887      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.6067    1.5747    0.7905   90.0000   89.5245   90.0000      0.0000         2.0324    1.9920
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0005    0.1161    0.0575    0.0000    2.1195    0.0000      0.0000         0.1485    0.0279
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1058    0.1164   -0.6027)
 a2 = (    0.6043    0.1714   -0.0820)
 a3 = (    0.2895   -1.1985   -0.2935)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1136    0.1189   -0.6003) (    0.0039    0.0136    0.0029)
 a2 = (    0.6059    0.1721   -0.0806) (    0.0455    0.0120    0.0035)
 a3 = (    0.3019   -1.1954   -0.2830) (    0.0260    0.0913    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -97.4980  103.4006   14.1103    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            183            184
# Figure of merit at the beginning and the end of the refinement
        16.0597        35.2877
# Chi-squares at the beginning and the end of the refinement
    0.3347    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    2   -3   -0.0156   -0.1806   -0.0133   -0.1793    0.0026    1
    3   -2    0    3   -0.0222    0.0786   -0.0241    0.0824    0.0042    1
    4   -1    1   -1   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5    0    0   -1    0.0559   -0.2314    0.0566   -0.2258    0.0056    1
    6   -1    1    1   -0.0985    0.1126   -0.1046    0.1173    0.0077    1
    7   -2    0   -3    0.1167   -0.5975    0.1201   -0.5972    0.0034    1
    8    0   -2   -3    0.1456   -0.2281    0.1441   -0.2219    0.0063    1
    9   -2    4    1   -0.1878    0.0480   -0.1940    0.0483    0.0062    1
   10    0   -2   -1    0.2302   -0.1315    0.2267   -0.1283    0.0048    1
   11   -1   -1   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1    3    0   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13    0   -6   -1    0.2002   -0.0087    0.1981   -0.0091    0.0022    1
   14   -1   -3   -1    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15   -2    4   -1   -0.3341   -0.2358   -0.3358   -0.2354    0.0018    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -4   -1    0.7231   -0.0812    0.7260   -0.0804    0.0030    1
   18   -2   -2   -1    1.0471   -0.5071    1.0655   -0.4953    0.0219    1
   19    0   -6    1    0.0412    0.0275    0.0407    0.0272    0.0005    1
   20   -1   -3    0    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21    0    2   -1   -0.0370   -0.0620   -0.0357   -0.0605    0.0019    1
   22   -2   -4    1    0.2914    0.3220    0.2970    0.3320    0.0114    1
   23   -1   -1    1    0.0363    0.2581    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    0    2   -3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -2    0    3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1   -1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    0    0   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1    1   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -2    0   -3    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    0   -2   -3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9   -2    4    1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    0   -2   -1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -1   -1   -1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1    3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    0   -6   -1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -1   -3   -1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15   -2    4   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -2   -4   -1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18   -2   -2   -1    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    0   -6    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    0    2   -1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -2   -4    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1   -1    1    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.315                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5880    1.5874    0.7934   89.9871   90.0302   90.1689      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.6067    1.5747    0.7905   90.0000   89.5245   90.0000      0.0000         2.0324    1.9920
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0005    0.1161    0.0575    0.0000    2.1195    0.0000      0.0000         0.1485    0.0279
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1170   -0.1148    0.6080)
 a2 = (    0.6010    0.1705   -0.0815)
 a3 = (   -0.2997    1.1910    0.2832)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1136   -0.1189    0.6003) (    0.0039    0.0136    0.0029)
 a2 = (    0.6059    0.1721   -0.0806) (    0.0455    0.0120    0.0035)
 a3 = (   -0.3019    1.1954    0.2830) (    0.0260    0.0913    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.4980   76.5994 -165.8897    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            179            184
# Figure of merit at the beginning and the end of the refinement
        23.9063        35.2877
# Chi-squares at the beginning and the end of the refinement
    0.0712    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    2    3   -0.0135   -0.1744   -0.0133   -0.1793    0.0049    1
    3    2    0   -3   -0.0264    0.0885   -0.0241    0.0824    0.0065    1
    4    1    1    1   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5    0    0    1    0.0563   -0.2237    0.0566   -0.2258    0.0021    1
    6    1    1   -1   -0.1065    0.1188   -0.1046    0.1173    0.0024    1
    7    2    0    3    0.1182   -0.5943    0.1201   -0.5972    0.0034    1
    8    0   -2    3    0.1432   -0.2203    0.1441   -0.2219    0.0019    1
    9    2    4   -1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10    0   -2    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11    1   -1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1    3    0   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13    0   -6    1    0.1974   -0.0085    0.1981   -0.0091    0.0009    1
   14    1   -3    1    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15    2    4    1   -0.3358   -0.2360   -0.3358   -0.2354    0.0006    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -4    1    0.7299   -0.0826    0.7260   -0.0804    0.0045    1
   18    2   -2    1    1.0580   -0.5179    1.0655   -0.4953    0.0239    1
   19    0   -6   -1    0.0430    0.0288    0.0407    0.0272    0.0028    1
   20    1   -3    0    0.4445    0.1651    0.4436    0.1639    0.0015    1
   21    0    2    1   -0.0343   -0.0582   -0.0357   -0.0605    0.0027    1
   22    2   -4   -1    0.2974    0.3343    0.2970    0.3320    0.0023    1
   23    1   -1   -1    0.0338    0.2710    0.0342    0.2676    0.0034    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    0    2    3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    2    0   -3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1    1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    0    0    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1    1   -1   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    2    0    3    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    0   -2    3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    2    4   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    0   -2    1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    1   -1    1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1    3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    0   -6    1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    1   -3    1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    2    4    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    2   -4    1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    2   -2    1    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    0   -6   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    0    2    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    2   -4   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    1   -1   -1    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.319                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5791    1.6058    0.7889   90.2030   90.3215   89.2141      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5819    1.5917    0.7943   90.0000   90.0292   90.0000      0.0000         1.9916    2.0039
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0638    0.0112    0.0000    0.7813    0.0000      0.0000         0.0281    0.0755
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6042    0.1714   -0.0820)
 a2 = (    0.1058   -0.1163    0.6026)
 a3 = (    0.3088   -1.1970   -0.2808)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6031    0.1714   -0.0810) (    0.0015    0.0051    0.0035)
 a2 = (    0.1147   -0.1171    0.6065) (    0.0079    0.0075    0.0234)
 a3 = (    0.3001   -1.1887   -0.2862) (    0.0120    0.0168    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5594  103.1349   14.1367    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            183            183
# Figure of merit at the beginning and the end of the refinement
        10.5048        35.2576
# Chi-squares at the beginning and the end of the refinement
    0.0888    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2    0   -3   -0.0123   -0.1716   -0.0133   -0.1793    0.0078    1
    3    0    2    3   -0.0260    0.0872   -0.0241    0.0824    0.0051    1
    4    1    1   -1   -0.1860   -0.5805   -0.1976   -0.5890    0.0144    1
    5    0    0   -1    0.0567   -0.2199    0.0566   -0.2258    0.0059    1
    6    1    1    1   -0.1043    0.1170   -0.1046    0.1173    0.0004    1
    7    0    2   -3    0.1241   -0.5833    0.1201   -0.5972    0.0145    1
    8   -2    0   -3    0.1422   -0.2163    0.1441   -0.2219    0.0059    1
    9    4    2    1   -0.1909    0.0484   -0.1940    0.0483    0.0032    1
   10   -2    0   -1    0.2226   -0.1253    0.2267   -0.1283    0.0051    1
   11   -1    1   -1    0.5271   -0.5938    0.5314   -0.6143    0.0209    1
   12    3    1    0   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13   -6    0   -1    0.1961   -0.0084    0.1981   -0.0091    0.0022    1
   14   -3    1   -1    0.5193   -0.1460    0.5323   -0.1459    0.0130    1
   15    4    2   -1   -0.3315   -0.2358   -0.3358   -0.2354    0.0043    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -4    2   -1    0.7128   -0.0791    0.7260   -0.0804    0.0133    1
   18   -2    2   -1    1.0303   -0.4906    1.0655   -0.4953    0.0355    1
   19   -6    0    1    0.0439    0.0295    0.0407    0.0272    0.0039    1
   20   -3    1    0    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21    2    0   -1   -0.0330   -0.0566   -0.0357   -0.0605    0.0048    1
   22   -4    2    1    0.2943    0.3283    0.2970    0.3320    0.0046    1
   23   -1    1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    2    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0    2    3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1   -1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    0    0   -1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    1    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    2   -3    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    4    2    1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    1   -1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    3    1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -6    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3    1   -1    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    4    2   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -4    2   -1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18   -2    2   -1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -6    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3    1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -4    2    1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -1    1    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.320                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5539    1.6058    0.8023   89.9698   91.9414   91.7869      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5819    1.5917    0.7943   90.0000   89.9708   90.0000      0.0000         1.9916    2.0039
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0638    0.0112    0.0000    0.7813    0.0000      0.0000         0.0281    0.0755
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6145    0.1743   -0.0834)
 a2 = (   -0.0954    0.1193   -0.6040)
 a3 = (   -0.2558    1.1893    0.2746)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6031    0.1714   -0.0810) (    0.0015    0.0051    0.0035)
 a2 = (   -0.1147    0.1171   -0.6065) (    0.0079    0.0075    0.0234)
 a3 = (   -0.3001    1.1887    0.2862) (    0.0120    0.0168    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4406   76.8651 -165.8633    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            379            183
# Figure of merit at the beginning and the end of the refinement
         5.7111        35.2576
# Chi-squares at the beginning and the end of the refinement
    0.6935    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2    0    4   -0.0073   -0.1822   -0.0133   -0.1793    0.0066    1
    3    0   -2   -3   -0.0239    0.0949   -0.0241    0.0824    0.0125    1
    4    1   -1    1   -0.2059   -0.5639   -0.1976   -0.5890    0.0264    1
    5    0    0    1    0.0475   -0.2207    0.0566   -0.2258    0.0104    1
    6    1   -1   -1   -0.1071    0.1258   -0.1046    0.1173    0.0088    1
    7    0   -2    3    0.1026   -0.5925    0.1201   -0.5972    0.0181    1
    8   -2    0    3    0.1378   -0.2222    0.1441   -0.2219    0.0063    1
    9    4   -2   -1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10   -2    0    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11   -1   -1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    3   -1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -6    0    1    0.1963   -0.0071    0.1981   -0.0091    0.0027    1
   14   -3   -1    1    0.5242   -0.1431    0.5323   -0.1459    0.0086    1
   15    4   -2    1   -0.3257   -0.2243   -0.3358   -0.2354    0.0150    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -4   -2    1    0.7126   -0.0716    0.7260   -0.0804    0.0160    1
   18   -2   -2    1    1.0478   -0.4875    1.0655   -0.4953    0.0193    1
   19   -6    0   -1    0.0462    0.0301    0.0407    0.0272    0.0062    1
   20   -3   -1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    2    0    1   -0.0317   -0.0500   -0.0357   -0.0605    0.0112    1
   22   -4   -2   -1    0.2977    0.3145    0.2970    0.3320    0.0176    1
   23   -1   -1   -1    0.0479    0.2699    0.0342    0.2676    0.0139    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    2    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -2   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -1    1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    0    0    1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1   -1   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2    3    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    4   -2   -1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -1    1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    3   -1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -6    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3   -1    1    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    4   -2    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -4   -2    1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18   -2   -2    1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -6    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3   -1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -4   -2   -1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -1   -1   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.321                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5571    1.6094    0.7989   90.8499   91.7592   88.1881      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5819    1.5917    0.7943   90.0000   89.9708   90.0000      0.0000         1.9916    2.0039
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0638    0.0112    0.0000    0.7813    0.0000      0.0000         0.0281    0.0755
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6132   -0.1739    0.0832)
 a2 = (   -0.0952    0.1190   -0.6027)
 a3 = (    0.2579   -1.1899   -0.2936)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6031   -0.1714    0.0810) (    0.0015    0.0051    0.0035)
 a2 = (   -0.1147    0.1171   -0.6065) (    0.0079    0.0075    0.0234)
 a3 = (    0.3001   -1.1887   -0.2862) (    0.0120    0.0168    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.4406  103.1349   14.1367    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            400            183
# Figure of merit at the beginning and the end of the refinement
         6.2496        35.2576
# Chi-squares at the beginning and the end of the refinement
    0.6075    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    0   -3   -0.0208   -0.1800   -0.0133   -0.1793    0.0076    1
    3    0   -2    3   -0.0203    0.0801   -0.0241    0.0824    0.0045    1
    4   -1   -1   -1   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5    0    0   -1    0.0511   -0.2357    0.0566   -0.2258    0.0113    1
    6   -1   -1    1   -0.0982    0.1154   -0.1046    0.1173    0.0067    1
    7    0   -2   -3    0.1064   -0.6076    0.1201   -0.5972    0.0173    1
    8    2    0   -3    0.1457   -0.2346    0.1441   -0.2219    0.0128    1
    9   -4   -2    1   -0.1876    0.0473   -0.1940    0.0483    0.0065    1
   10    2    0   -1    0.2345   -0.1330    0.2267   -0.1283    0.0091    1
   11    1   -1   -1    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12   -3   -1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    6    0   -1    0.2011   -0.0075    0.1981   -0.0091    0.0034    1
   14    3   -1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -4   -2   -1   -0.3310   -0.2286   -0.3358   -0.2354    0.0083    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    4   -2   -1    0.7194   -0.0731    0.7260   -0.0804    0.0098    1
   18    2   -2   -1    1.0569   -0.4933    1.0655   -0.4953    0.0088    1
   19    6    0    1    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    3   -1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -2    0   -1   -0.0373   -0.0592   -0.0357   -0.0605    0.0021    1
   22    4   -2    1    0.2926    0.3099    0.2970    0.3320    0.0225    0
   23    1   -1    1    0.0450    0.2567    0.0342    0.2676    0.0154    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2   -2    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -2    3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -1   -1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    0    0   -1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -1    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2   -3    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8    2    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -4   -2    1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -1   -1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12   -3   -1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    6    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3   -1   -1    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15   -4   -2   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    4   -2   -1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    2   -2   -1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19    6    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3   -1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21   -2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    4   -2    1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23    1   -1    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.322                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5566    1.6088    0.7994   90.2470   91.6652   91.7789      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5819    1.5917    0.7943   90.0000   90.0292   90.0000      0.0000         1.9916    2.0039
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0638    0.0112    0.0000    0.7813    0.0000      0.0000         0.0281    0.0755
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6134   -0.1740    0.0832)
 a2 = (    0.0953   -0.1191    0.6029)
 a3 = (   -0.3312    1.1715    0.2904)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6031   -0.1714    0.0810) (    0.0015    0.0051    0.0035)
 a2 = (    0.1147   -0.1171    0.6065) (    0.0079    0.0075    0.0234)
 a3 = (   -0.3001    1.1887    0.2862) (    0.0120    0.0168    0.0098)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    7.5594   76.8651 -165.8633    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            400            183
# Figure of merit at the beginning and the end of the refinement
         4.1122        35.2576
# Chi-squares at the beginning and the end of the refinement
    0.3678    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    0    3   -0.0110   -0.1818   -0.0133   -0.1793    0.0034    1
    3    0    2   -3   -0.0256    0.0811   -0.0241    0.0824    0.0020    1
    4   -1    1    1   -0.1857   -0.6034   -0.1976   -0.5890    0.0187    1
    5    0    0    1    0.0649   -0.2295    0.0566   -0.2258    0.0092    1
    6   -1    1   -1   -0.1024    0.1100   -0.1046    0.1173    0.0077    1
    7    0    2    3    0.1466   -0.5980    0.1201   -0.5972    0.0265    0
    8    2    0    3    0.1541   -0.2197    0.1441   -0.2219    0.0102    1
    9   -4    2   -1   -0.1851    0.0444   -0.1940    0.0483    0.0098    1
   10    2    0    1    0.2292   -0.1212    0.2267   -0.1283    0.0076    1
   11    1    1    1    0.5555   -0.5745    0.5314   -0.6143    0.0465    0
   12   -3    1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    6    0    1    0.1967   -0.0063    0.1981   -0.0091    0.0032    1
   14    3    1    1    0.5168   -0.1320    0.5323   -0.1459    0.0208    1
   15   -4    2    1   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16    2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    4    2    1    0.6992   -0.0640    0.7260   -0.0804    0.0314    0
   18    2    2    1    1.0275   -0.4399    1.0655   -0.4953    0.0671    0
   19    6    0   -1    0.0434    0.0287    0.0407    0.0272    0.0031    1
   20    3    1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -2    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    4    2   -1    0.2953    0.3219    0.2970    0.3320    0.0103    1
   23    1    1   -1    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2   -2    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0    2   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    1    1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    0    0    1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1    1   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    2    3    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8    2    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -4    2   -1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    2    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11    1    1    1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12   -3    1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    6    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3    1    1    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15   -4    2    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    4    2    1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    2    2    1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19    6    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    3    1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21   -2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    4    2   -1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23    1    1   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.328                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    2.7544    0.8636    0.8754   89.0771  106.1425   90.3576      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    2.7847    0.8666    0.8701   90.0000  107.7306   90.0000      0.0000         3.2005    0.9960
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0474    0.0639    0.0633    0.0000    3.0527    0.0000      0.0000         0.1823    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0704    0.0850   -0.3615)
 a2 = (    1.1016    0.3289   -0.1395)
 a3 = (    0.2003   -0.9958   -0.6187)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0688    0.0720   -0.3636) (    0.0024    0.0082    0.0017)
 a2 = (    1.1010    0.3128   -0.1465) (    0.0827    0.0219    0.0063)
 a3 = (    0.2055   -1.0141   -0.6208) (    0.0244    0.0770    0.0077)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -97.4980  103.4006   14.1103    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            400            199
# Figure of merit at the beginning and the end of the refinement
         5.0069        33.9317
# Chi-squares at the beginning and the end of the refinement
    0.5690    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3    1    0   -0.7175   -0.0405   -0.7289   -0.0565    0.0197    1
    2    3    1   -3   -0.0143   -0.1758   -0.0133   -0.1793    0.0036    1
    3   -2    0    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    1   -2   -0.2013   -0.5833   -0.1976   -0.5890    0.0067    1
    5    2    0   -2    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -5    1    2   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    0    0   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    3   -1   -3    0.1435   -0.2185    0.1441   -0.2219    0.0035    1
    9   -4    2    1   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    1   -1   -1    0.2223   -0.1218    0.2267   -0.1283    0.0079    1
   11   -1   -1   -2    0.5484   -0.6042    0.5314   -0.6143    0.0197    1
   12   -1    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1   -3   -1    0.1888   -0.0050    0.1981   -0.0091    0.0102    1
   14   -1   -3   -2    0.5216   -0.1320    0.5323   -0.1459    0.0176    1
   15   -2    2   -1   -0.3352   -0.2320   -0.3358   -0.2354    0.0035    1
   16    0   -2    0    0.1163    0.0347    0.1256    0.0356    0.0094    1
   17   -2   -2   -1    0.7123   -0.0529    0.7260   -0.0804    0.0307    0
   18   -4   -2   -2    1.0782   -0.4615    1.0655   -0.4953    0.0361    1
   19   -1   -3    1    0.0363    0.0247    0.0407    0.0272    0.0051    1
   20   -1   -1    0    0.4184    0.1679    0.4436    0.1639    0.0255    0
   21    1    1   -1   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22   -4   -2    1    0.2745    0.3179    0.2970    0.3320    0.0265    0
   23   -5   -1    2    0.0323    0.2544    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    3    1   -3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -2    0    1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1   -2   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    2    0   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -5    1    2   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    0    0   -1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    3   -1   -3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9   -4    2    1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    1   -1   -1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -1   -1   -2    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1    1    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    1   -3   -1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -1   -3   -2    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15   -2    2   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -2   -2   -1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18   -4   -2   -2    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19   -1   -3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    1    1   -1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -4   -2    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -5   -1    2    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.331                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2312    2.6336    0.8711   90.9599  134.9151   88.9534      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2334    2.6279    0.8706   90.0000  134.8644   90.0000      0.0000         1.4168    3.0186
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0128    0.0990    0.0123    0.0000    0.5992    0.0000      0.0000         0.0130    0.1211
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2741   -1.0824   -0.2622)
 a2 = (    0.0630   -0.0695    0.3680)
 a3 = (   -0.8211   -1.3931   -0.1136)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2726   -1.0800   -0.2600) (    0.0103    0.0032    0.0075)
 a2 = (    0.0695   -0.0709    0.3674) (    0.0046    0.0044    0.0133)
 a3 = (   -0.8232   -1.3915   -0.1128) (    0.0190    0.0103    0.0079)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.2497   82.6461  -74.1073    0.3910    0.3095    0.5497
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            227            225
# Figure of merit at the beginning and the end of the refinement
        18.9253        31.7970
# Chi-squares at the beginning and the end of the refinement
    0.4337    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3   -1   -0.7393   -0.0587   -0.7289   -0.0565    0.0106    1
    2   -2    0   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1    1    0   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4   -1    3   -1   -0.1917   -0.5906   -0.1976   -0.5890    0.0061    1
    5   -2    0    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    3    3   -1   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7   -1    1    0    0.1243   -0.5963    0.1201   -0.5972    0.0043    1
    8   -4    0    1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    3    3   -2   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10   -2    0    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -3    3    1    0.5359   -0.6063    0.5314   -0.6143    0.0091    1
   12    1    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -4    0    3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -5    3    3    0.5275   -0.1482    0.5323   -0.1459    0.0054    1
   15    1    3   -2   -0.3375   -0.2397   -0.3358   -0.2354    0.0046    1
   16   -2    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3    3    2    0.7221   -0.0801    0.7260   -0.0804    0.0039    1
   18   -4    6    2    1.0454   -0.4987    1.0655   -0.4953    0.0203    1
   19   -2    0    3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -1    1    1    0.4407    0.1623    0.4436    0.1639    0.0033    1
   21    0    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3    2    0.2963    0.3280    0.2970    0.3320    0.0041    1
   23    1    3    1    0.0356    0.2665    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3   -1   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2   -2    0   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    1    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    3   -1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5   -2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    3    3   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -1    1    0    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -4    0    1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    3    3   -2   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -3    3    1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    1    1   -1   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -4    0    3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -5    3    3    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    1    3   -2   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    2    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -3    3    2    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18   -4    6    2    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -2    0    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1    1    1    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    0    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    3    2    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23    1    3    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.332                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2255    2.6235    0.8673   87.6359  134.1177   92.1029      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2341    2.6279    0.8742   90.0000  135.1355   90.0000      0.0000         1.4116    3.0059
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0129    0.1054    0.0123    0.0000    0.5964    0.0000      0.0000         0.0129    0.1133
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.0792   -0.3252    0.1470)
 a2 = (    0.0711   -0.0858    0.3649)
 a3 = (   -1.3525    0.7657    0.4066)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0958   -0.3114    0.1472) (    0.0027    0.0093    0.0064)
 a2 = (    0.0695   -0.0709    0.3674) (    0.0048    0.0046    0.0142)
 a3 = (   -1.3685    0.7686    0.4072) (    0.0111    0.0158    0.0129)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    7.5594   76.8651 -165.8633    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            199            225
# Figure of merit at the beginning and the end of the refinement
        10.1546        31.7970
# Chi-squares at the beginning and the end of the refinement
    2.6535    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    0   -0.7312   -0.0384   -0.7289   -0.0565    0.0182    1
    2   -4    0    3   -0.0126   -0.1747   -0.0133   -0.1793    0.0047    1
    3    1    1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -3    3    2   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5   -2    0    2    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    1    3   -2   -0.1004    0.1154   -0.1046    0.1173    0.0047    1
    7   -1    1    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -2    0    3    0.1430   -0.2220    0.1441   -0.2219    0.0011    1
    9   -1    3   -1   -0.1912    0.0505   -0.1940    0.0483    0.0035    1
   10    0    0    1    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11   -1    3    2    0.5463   -0.6186    0.5314   -0.6143    0.0155    1
   12   -1    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    2    0    1    0.1993   -0.0065    0.1981   -0.0091    0.0028    1
   14    1    3    2    0.5375   -0.1428    0.5323   -0.1459    0.0061    1
   15   -3    3    1   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    2    0    0    0.1249    0.0376    0.1256    0.0356    0.0021    1
   17    1    3    1    0.7380   -0.0609    0.7260   -0.0804    0.0228    1
   18    0    6    2    1.0989   -0.4904    1.0655   -0.4953    0.0338    1
   19    4    0   -1    0.0412    0.0287    0.0407    0.0272    0.0015    1
   20    1    1    0    0.4354    0.1775    0.4436    0.1639    0.0159    1
   21   -2    0    1   -0.0342   -0.0601   -0.0357   -0.0605    0.0016    1
   22    3    3   -1    0.2780    0.3323    0.2970    0.3320    0.0190    1
   23    3    3   -2    0.0298    0.2579    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2   -4    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -3    3    2   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5   -2    0    2    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    3   -2   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -1    1    1    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1    3   -1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    0    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    3    2    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12   -1    1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    2    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    1    3    2    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15   -3    3    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1    3    1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    0    6    2    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19    4    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1    1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21   -2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    3    3   -1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23    3    3   -2    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.335                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2198    2.6481    0.8636   89.9332  134.1422   91.7501      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2341    2.6279    0.8706   90.0000  134.8937   90.0000      0.0000         1.4176    3.0186
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0113    0.0990    0.0123    0.0000    0.5252    0.0000      0.0000         0.0148    0.1211
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2707    1.0807    0.2572)
 a2 = (   -0.0704    0.0850   -0.3615)
 a3 = (   -1.3723    0.7518    0.3967)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2726    1.0800    0.2600) (    0.0103    0.0032    0.0075)
 a2 = (   -0.0695    0.0709   -0.3674) (    0.0046    0.0044    0.0133)
 a3 = (   -1.3685    0.7686    0.4072) (    0.0196    0.0094    0.0117)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  166.7503   82.6461  -74.1073    0.3910    0.3095    0.5497
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            400            225
# Figure of merit at the beginning and the end of the refinement
         5.0069        31.7970
# Chi-squares at the beginning and the end of the refinement
    0.2169    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3   -1   -0.7175   -0.0405   -0.7289   -0.0565    0.0197    1
    2    4    0   -1   -0.0143   -0.1758   -0.0133   -0.1793    0.0036    1
    3   -1   -1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    3   -3   -1   -0.2013   -0.5833   -0.1976   -0.5890    0.0067    1
    5    2    0    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -1   -3   -1   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    1   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    2    0    1    0.1435   -0.2185    0.1441   -0.2219    0.0035    1
    9    1   -3   -2   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    0    0    1    0.2223   -0.1218    0.2267   -0.1283    0.0079    1
   11    1   -3    1    0.5484   -0.6042    0.5314   -0.6143    0.0197    1
   12    1   -1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -2    0    3    0.1888   -0.0050    0.1981   -0.0091    0.0102    1
   14   -1   -3    3    0.5216   -0.1320    0.5323   -0.1459    0.0176    1
   15    3   -3   -2   -0.3352   -0.2320   -0.3358   -0.2354    0.0035    1
   16   -2    0    2    0.1163    0.0347    0.1256    0.0356    0.0094    1
   17   -1   -3    2    0.7123   -0.0529    0.7260   -0.0804    0.0307    0
   18    0   -6    2    1.0782   -0.4615    1.0655   -0.4953    0.0361    1
   19   -4    0    3    0.0363    0.0247    0.0407    0.0272    0.0051    1
   20   -1   -1    1    0.4184    0.1679    0.4436    0.1639    0.0255    0
   21    2    0   -1   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22   -3   -3    2    0.2745    0.3179    0.2970    0.3320    0.0265    0
   23   -3   -3    1    0.0323    0.2544    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3   -1   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    4    0   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1   -1    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    3   -3   -1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -3   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    1   -1    0    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8    2    0    1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    1   -3   -2   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    0    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -3    1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    1   -1   -1   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -2    0    3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -1   -3    3    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    3   -3   -2   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    2    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -1   -3    2    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    0   -6    2    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -4    0    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1   -1    1    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -3   -3    2    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -3   -3    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.337                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2308    2.6306    0.8698   89.7136  134.7321   91.2969      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2334    2.6279    0.8742   90.0000  135.1065   90.0000      0.0000         1.4109    3.0059
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0113    0.1054    0.0123    0.0000    0.5234    0.0000      0.0000         0.0147    0.1133
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0909    0.3102   -0.1507)
 a2 = (   -0.0603    0.0705   -0.3688)
 a3 = (    0.8130    1.3953    0.1083)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0958    0.3114   -0.1472) (    0.0027    0.0093    0.0064)
 a2 = (   -0.0695    0.0709   -0.3674) (    0.0048    0.0046    0.0142)
 a3 = (    0.8232    1.3915    0.1128) (    0.0113    0.0198    0.0086)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4406   76.8651 -165.8633    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            225            226
# Figure of merit at the beginning and the end of the refinement
        13.5290        31.7266
# Chi-squares at the beginning and the end of the refinement
    0.1375    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    0   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2   -2    0    3   -0.0126   -0.1747   -0.0133   -0.1793    0.0046    1
    3    1   -1   -1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4   -1   -3    2   -0.1864   -0.5907   -0.1976   -0.5890    0.0113    1
    5   -2    0    2    0.0574   -0.2240    0.0566   -0.2258    0.0020    1
    6    3   -3   -2   -0.1048    0.1188   -0.1046    0.1173    0.0015    1
    7   -1   -1    1    0.1269   -0.5916    0.1201   -0.5972    0.0088    1
    8   -4    0    3    0.1443   -0.2208    0.1441   -0.2219    0.0012    1
    9    3   -3   -1   -0.1940    0.0497   -0.1940    0.0483    0.0014    1
   10   -2    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3   -3    2    0.5347   -0.6014    0.5314   -0.6143    0.0133    1
   12    1   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -4    0    1    0.1999   -0.0087    0.1981   -0.0091    0.0019    1
   14   -5   -3    2    0.5274   -0.1486    0.5323   -0.1459    0.0056    1
   15    1   -3    1   -0.3372   -0.2416   -0.3358   -0.2354    0.0064    1
   16   -2    0    0    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17   -3   -3    1    0.7225   -0.0803    0.7260   -0.0804    0.0035    1
   18   -4   -6    2    1.0420   -0.4941    1.0655   -0.4953    0.0236    1
   19   -2    0   -1    0.0444    0.0299    0.0407    0.0272    0.0045    1
   20   -1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    0    1   -0.0338   -0.0579   -0.0357   -0.0605    0.0032    1
   22   -1   -3   -1    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    1   -3   -2    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2   -2    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -3    2   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5   -2    0    2    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    3   -3   -2   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7   -1   -1    1    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -4    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    3   -3   -1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -3   -3    2    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    1   -1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -4    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -5   -3    2    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    1   -3    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -3   -3    1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18   -4   -6    2    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -2    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1   -1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1   -3   -1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23    1   -3   -2    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.339                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2354    1.2340    1.4466   89.6288  114.9134   90.1715      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2312    1.2329    1.4505   90.0000  114.7266   90.0000      0.0000         0.8488    0.8500
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0168    0.0190    0.0366    0.0000    1.7013    0.0000      0.0000         0.0284    0.0268
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4795   -0.6229   -0.4227)
 a2 = (   -0.6825    0.3864    0.2043)
 a3 = (   -0.1342    0.1432   -0.7365)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4790   -0.6260   -0.4222) (    0.0038    0.0101    0.0138)
 a2 = (   -0.6837    0.3861    0.2034) (    0.0112    0.0079    0.0054)
 a3 = (   -0.1362    0.1447   -0.7325) (    0.0127    0.0114    0.0236)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -62.0279  147.6850  174.7200    0.5073    1.1209    0.6501
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            237            231
# Figure of merit at the beginning and the end of the refinement
        26.8014        30.2797
# Chi-squares at the beginning and the end of the refinement
    0.0291    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7330   -0.0528   -0.7289   -0.0565    0.0055    1
    2   -4    2    2   -0.0141   -0.1753   -0.0133   -0.1793    0.0040    1
    3    1   -1   -1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4   -3    1    0   -0.1968   -0.5871   -0.1976   -0.5890    0.0021    1
    5   -2    2    1    0.0563   -0.2254    0.0566   -0.2258    0.0005    1
    6    1   -3   -2   -0.1050    0.1183   -0.1046    0.1173    0.0010    1
    7   -1    1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -2    4    1    0.1442   -0.2220    0.1441   -0.2219    0.0001    1
    9   -1   -3   -1   -0.1928    0.0492   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3   -1    0.5359   -0.6126    0.5314   -0.6143    0.0048    1
   12   -1   -1    0   -0.1805   -0.0367   -0.1815   -0.0378    0.0015    1
   13    2    4   -1    0.1989   -0.0088    0.1981   -0.0091    0.0008    1
   14    1    5   -2    0.5296   -0.1495    0.5323   -0.1459    0.0045    1
   15   -3   -1    0   -0.3370   -0.2355   -0.3358   -0.2354    0.0013    1
   16    2    2   -1    0.1268    0.0357    0.1256    0.0356    0.0012    1
   17    1    3   -2    0.7275   -0.0805    0.7260   -0.0804    0.0015    1
   18    0    4   -3    1.0574   -0.5071    1.0655   -0.4953    0.0143    1
   19    4    2   -2    0.0438    0.0292    0.0407    0.0272    0.0036    1
   20    1    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -2    0    1   -0.0344   -0.0580   -0.0357   -0.0605    0.0028    1
   22    3    1   -3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    3   -1   -3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2   -4    2    2   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -1   -1   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -3    1    0   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5   -2    2    1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    1   -3   -2   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7   -1    1    0    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8   -2    4    1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1   -3   -1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1    3   -1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12   -1   -1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    2    4   -1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1    5   -2    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -3   -1    0   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    2    2   -1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17    1    3   -2    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    0    4   -3    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    4    2   -2    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20    1    1   -1    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21   -2    0    1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22    3    1   -3    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23    3   -1   -3    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.340                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2338    1.2312    1.4511   90.9714  114.8469   89.9491      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2312    1.2329    1.4505   90.0000  114.7266   90.0000      0.0000         0.8488    0.8500
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0168    0.0190    0.0366    0.0000    1.7013    0.0000      0.0000         0.0284    0.0268
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4735    0.6270    0.4248)
 a2 = (   -0.6847    0.3859    0.2054)
 a3 = (    0.1260   -0.1391    0.7360)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4790    0.6260    0.4222) (    0.0038    0.0101    0.0138)
 a2 = (   -0.6837    0.3861    0.2034) (    0.0112    0.0079    0.0054)
 a3 = (    0.1362   -0.1447    0.7325) (    0.0127    0.0114    0.0236)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   62.0279   32.3150   -5.2800    0.5073    1.1209    0.6501
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            241            231
# Figure of merit at the beginning and the end of the refinement
        18.3674        30.2797
# Chi-squares at the beginning and the end of the refinement
    0.0875    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7393   -0.0587   -0.7289   -0.0565    0.0106    1
    2    4    2   -2   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1   -1    1   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4    3    1    0   -0.1917   -0.5906   -0.1976   -0.5890    0.0061    1
    5    2    2   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -3    2   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7    1    1    0    0.1243   -0.5963    0.1201   -0.5972    0.0043    1
    8    2    4   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1   -3    1   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10    0    2    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    3    1    0.5359   -0.6063    0.5314   -0.6143    0.0091    1
   12    1   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -2    4    1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -1    5    2    0.5275   -0.1482    0.5323   -0.1459    0.0054    1
   15    3   -1    0   -0.3375   -0.2397   -0.3358   -0.2354    0.0046    1
   16   -2    2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    3    2    0.7221   -0.0801    0.7260   -0.0804    0.0039    1
   18    0    4    3    1.0454   -0.4987    1.0655   -0.4953    0.0203    1
   19   -4    2    2    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -1    1    1    0.4407    0.1623    0.4436    0.1639    0.0033    1
   21    2    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3    1    3    0.2963    0.3280    0.2970    0.3320    0.0041    1
   23   -3   -1    3    0.0356    0.2665    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    4    2   -2   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -1    1   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4    3    1    0   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    2    2   -1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1   -3    2   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    1    1    0    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    2    4   -1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9    1   -3    1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    1    3    1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12    1   -1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -2    4    1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1    5    2    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15    3   -1    0   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16   -2    2    1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1    3    2    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    0    4    3    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19   -4    2    2    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -1    1    1    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    2    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -3    1    3    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -3   -1    3    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.342                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2330    1.2390    1.4423   91.0137  114.7920   89.8443      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2312    1.2329    1.4580   90.0000  115.3607   90.0000      0.0000         0.8444    0.8456
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0102    0.0195    0.0567    0.0000    0.9975    0.0000      0.0000         0.0346    0.0319
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3439    0.7630   -0.3125)
 a2 = (    0.6798   -0.3849   -0.2035)
 a3 = (   -0.1313    0.1307   -0.7410)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3429    0.7707   -0.3104) (    0.0096    0.0025    0.0126)
 a2 = (    0.6837   -0.3861   -0.2034) (    0.0115    0.0070    0.0067)
 a3 = (   -0.1362    0.1447   -0.7325) (    0.0145    0.0099    0.0294)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -125.9847  154.7394  -62.7449    0.7436    0.9456    0.9608
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            225            231
# Figure of merit at the beginning and the end of the refinement
        15.6306        30.2797
# Chi-squares at the beginning and the end of the refinement
    0.1117    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -2   -0.7449   -0.0676   -0.7289   -0.0565    0.0195    1
    2    4   -2   -2   -0.0140   -0.1784   -0.0133   -0.1793    0.0012    1
    3   -1    1    0   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4    3   -1   -3   -0.1927   -0.5896   -0.1976   -0.5890    0.0050    1
    5    2   -2   -1    0.0568   -0.2274    0.0566   -0.2258    0.0016    1
    6   -1    3   -1   -0.1075    0.1205   -0.1046    0.1173    0.0043    1
    7    1   -1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    2   -4   -1    0.1446   -0.2233    0.1441   -0.2219    0.0014    1
    9    1    3   -2   -0.1992    0.0491   -0.1940    0.0483    0.0052    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3   -2    0.5318   -0.6147    0.5314   -0.6143    0.0005    1
   12    1    1   -1   -0.1862   -0.0399   -0.1815   -0.0378    0.0052    1
   13   -2   -4    1    0.1970   -0.0080    0.1981   -0.0091    0.0016    1
   14   -1   -5   -1    0.5303   -0.1513    0.5323   -0.1459    0.0057    1
   15    3    1   -3   -0.3390   -0.2435   -0.3358   -0.2354    0.0087    1
   16   -2   -2    1    0.1234    0.0354    0.1256    0.0356    0.0022    1
   17   -1   -3   -1    0.7292   -0.0845    0.7260   -0.0804    0.0052    1
   18    0   -4   -3    1.0504   -0.5183    1.0655   -0.4953    0.0276    1
   19   -4   -2    2    0.0402    0.0271    0.0407    0.0272    0.0006    1
   20   -1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    2    0   -1   -0.0363   -0.0618   -0.0357   -0.0605    0.0014    1
   22   -3   -1    0    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23   -3    1    0    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -2   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    4   -2   -2   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1    1    0   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4    3   -1   -3   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    2   -2   -1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1    3   -1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    1   -1   -1    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    2   -4   -1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9    1    3   -2   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0   -2    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    1   -3   -2    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12    1    1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -2   -4    1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1   -5   -1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15    3    1   -3   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16   -2   -2    1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1   -3   -1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    0   -4   -3    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19   -4   -2    2    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -1   -1    0    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    2    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -3   -1    0    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -3    1    0    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.347                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5895    1.5855    0.7937   90.0294   90.1860   90.5650      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5881    1.5894    0.7924   90.0000   89.6657   90.0000      0.0000         2.0042    2.0058
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.0621    0.0343    0.0000    1.3508    0.0000      0.0000         0.0866    0.0299
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1160    0.1104   -0.6085)
 a2 = (    0.1493   -0.5959   -0.1430)
 a3 = (   -1.2020   -0.3409    0.1631)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1124    0.1184   -0.6082) (    0.0111    0.0057    0.0016)
 a2 = (    0.1496   -0.5941   -0.1433) (    0.0071    0.0239    0.0038)
 a3 = (   -1.2036   -0.3426    0.1634) (    0.0534    0.0146    0.0075)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2734   82.8869  -74.1907    0.3987    1.0296    0.4405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            299            301
# Figure of merit at the beginning and the end of the refinement
        17.6571        27.4791
# Chi-squares at the beginning and the end of the refinement
    0.2172    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0   -1   -0.7297   -0.0612   -0.7289   -0.0565    0.0047    1
    2    0   -6   -1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -1    3    0   -0.0258    0.0869   -0.0241    0.0824    0.0048    1
    4   -2   -4   -1   -0.1952   -0.5840   -0.1976   -0.5890    0.0055    1
    5    0   -2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    4   -1   -0.1058    0.1179   -0.1046    0.1173    0.0014    1
    7   -1   -3    0    0.1177   -0.5952    0.1201   -0.5972    0.0031    1
    8    0   -6    1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1    1   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0   -2    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -2   -4    1    0.5296   -0.6158    0.5314   -0.6143    0.0024    1
   12   -2    0   -3   -0.1816   -0.0380   -0.1815   -0.0378    0.0002    1
   13    0   -2    3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -2   -4    3    0.5300   -0.1522    0.5323   -0.1459    0.0066    1
   15   -1   -1   -1   -0.3356   -0.2373   -0.3358   -0.2354    0.0019    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    1    0.7304   -0.0855    0.7260   -0.0804    0.0068    1
   18   -2   -2    1    1.0534   -0.5233    1.0655   -0.4953    0.0305    1
   19    0    2    3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -2    0    3    0.4452    0.1641    0.4436    0.1639    0.0017    1
   21    0   -2   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    1    1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -2    4    1    0.0342    0.2700    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    0   -6   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    3    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2   -4   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -2    4   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -3    0    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    0   -6    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    0   -2    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2   -4    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -2    0   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    0   -2    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -4    3    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -1    1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -2   -2    1    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    0    2    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    0    3    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    0   -2   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    1    1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -2    4    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.348                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5892    1.5913    0.7909   90.0314   90.0478   89.7432      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5881    1.5894    0.7924   90.0000   90.3343   90.0000      0.0000         2.0042    2.0058
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.0621    0.0343    0.0000    1.3508    0.0000      0.0000         0.0866    0.0299
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1144    0.1143   -0.6081)
 a2 = (   -0.1487    0.5937    0.1425)
 a3 = (    1.2062    0.3421   -0.1637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1124    0.1184   -0.6082) (    0.0111    0.0057    0.0016)
 a2 = (   -0.1496    0.5941    0.1433) (    0.0071    0.0239    0.0038)
 a3 = (    1.2036    0.3426   -0.1634) (    0.0534    0.0146    0.0075)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -76.7266   97.1131  105.8093    0.3987    1.0296    0.4405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            299            301
# Figure of merit at the beginning and the end of the refinement
        24.5622        27.4791
# Chi-squares at the beginning and the end of the refinement
    0.0721    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7289   -0.0577   -0.7289   -0.0565    0.0012    1
    2    0    6    1   -0.0141   -0.1759   -0.0133   -0.1793    0.0036    1
    3   -1   -3    0   -0.0259    0.0877   -0.0241    0.0824    0.0056    1
    4   -2    4    1   -0.1976   -0.5853   -0.1976   -0.5890    0.0037    1
    5    0    2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -4    1   -0.1061    0.1182   -0.1046    0.1173    0.0018    1
    7   -1    3    0    0.1189   -0.5976    0.1201   -0.5972    0.0012    1
    8    0    6   -1    0.1447   -0.2220    0.1441   -0.2219    0.0006    1
    9   -1   -1    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10    0    2   -1    0.2267   -0.1274    0.2267   -0.1283    0.0009    1
   11   -2    4   -1    0.5353   -0.6142    0.5314   -0.6143    0.0038    1
   12   -2    0    3   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13    0    2   -3    0.1978   -0.0081    0.1981   -0.0091    0.0010    1
   14   -2    4   -3    0.5296   -0.1489    0.5323   -0.1459    0.0039    1
   15   -1    1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1   -1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2    2   -1    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    0   -2   -3    0.0430    0.0286    0.0407    0.0272    0.0026    1
   20   -2    0   -3    0.4429    0.1640    0.4436    0.1639    0.0006    1
   21    0    2    1   -0.0348   -0.0586   -0.0357   -0.0605    0.0021    1
   22   -1   -1   -1    0.2979    0.3317    0.2970    0.3320    0.0010    1
   23   -2   -4   -1    0.0351    0.2705    0.0342    0.2676    0.0030    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    0    6    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -3    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2    4    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -2   -4    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    3    0    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    0    6   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -1    1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    0    2   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    4   -1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -2    0    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    0    2   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    4   -3    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    0   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    1   -1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -2    2   -1    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    0   -2   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    0   -3    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    0    2    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1   -1   -1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -2   -4   -1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.350                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2506    1.7786    0.9000   90.2054   92.1219   91.3335      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2622    1.7858    0.8873   90.0000   89.9827   90.0000      0.0000         1.4224    2.0125
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0356    0.0141    0.0000    1.0420    0.0000      0.0000         0.0227    0.0440
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1934   -0.7571   -0.1732)
 a2 = (    0.4569    0.0281    0.3267)
 a3 = (   -0.5856   -0.3902    0.8609)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1885   -0.7480   -0.1808) (    0.0064    0.0023    0.0045)
 a2 = (    0.4497    0.0330    0.3321) (    0.0106    0.0043    0.0052)
 a3 = (   -0.6159   -0.3651    0.8703) (    0.0152    0.0129    0.0143)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -21.0419   39.4503  -59.3136    0.5317    0.4403    0.7964
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            343            333
# Figure of merit at the beginning and the end of the refinement
         6.2809        26.1401
# Chi-squares at the beginning and the end of the refinement
    0.4704    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7124   -0.0438   -0.7289   -0.0565    0.0208    1
    2   -6    2   -1   -0.0113   -0.1660   -0.0133   -0.1793    0.0135    1
    3    6    2    1   -0.0272    0.0891   -0.0241    0.0824    0.0074    1
    4   -1    1    0   -0.1920   -0.5723   -0.1976   -0.5890    0.0176    1
    5   -2    0    0    0.0549   -0.2147    0.0566   -0.2258    0.0112    1
    6    1    1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -6    2    1    0.1155   -0.5839    0.1201   -0.5972    0.0141    1
    8   -6   -2    1    0.1390   -0.2140    0.1441   -0.2219    0.0094    1
    9    2    6   -1   -0.1902    0.0489   -0.1940    0.0483    0.0039    1
   10   -2   -2    1    0.2223   -0.1259    0.2267   -0.1283    0.0050    1
   11   -2    0    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0    4   -1   -0.1772   -0.0369   -0.1815   -0.0378    0.0045    1
   13   -2   -6    3    0.1980   -0.0071    0.1981   -0.0091    0.0020    1
   14   -1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -2    6   -1   -0.3285   -0.2316   -0.3358   -0.2354    0.0082    1
   16    0   -2    1    0.1271    0.0378    0.1256    0.0356    0.0027    1
   17   -2   -2    3    0.7378   -0.0694    0.7260   -0.0804    0.0161    1
   18   -2    0    2    1.0864   -0.5117    1.0655   -0.4953    0.0266    1
   19    2   -6    3    0.0453    0.0314    0.0407    0.0272    0.0062    1
   20    0   -2    2    0.4413    0.1771    0.4436    0.1639    0.0134    1
   21   -2    2   -1   -0.0304   -0.0536   -0.0357   -0.0605    0.0087    1
   22    2   -2    3    0.2840    0.3409    0.2970    0.3320    0.0157    1
   23    2    0    1    0.0279    0.2673    0.0342    0.2676    0.0063    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2   -6    2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3    6    2    1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    1    0   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5   -2    0    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -6    2    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -6   -2    1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    2    6   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -2   -2    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    0    1    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0    4   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2   -6    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -1    1    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15   -2    6   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -2    1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -2   -2    3    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18   -2    0    2    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19    2   -6    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -2    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -2    2   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    2   -2    3    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    2    0    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.351                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8029    1.2592    0.8814   89.3912   91.4522   90.8670      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7859    1.2615    0.8878   90.0000   90.1205   90.0000      0.0000         2.0117    1.4210
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.0273    0.0210    0.0000    2.4747    0.0000      0.0000         0.0474    0.0354
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4466   -0.0346   -0.3275)
 a2 = (    0.1838   -0.7486   -0.1916)
 a3 = (   -0.6400   -0.3657    0.8630)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4499   -0.0333   -0.3317) (    0.0064    0.0066    0.0093)
 a2 = (    0.1885   -0.7485   -0.1806) (    0.0060    0.0167    0.0053)
 a3 = (   -0.6166   -0.3650    0.8692) (    0.0257    0.0112    0.0263)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -111.0397   39.3904  -59.3078    0.4385    1.2771    0.6137
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            341            335
# Figure of merit at the beginning and the end of the refinement
         6.3070        26.0473
# Chi-squares at the beginning and the end of the refinement
    0.2550    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2   -6   -1   -0.0166   -0.1896   -0.0133   -0.1793    0.0108    1
    3   -2    6    1   -0.0202    0.0713   -0.0241    0.0824    0.0118    1
    4   -1   -1    0   -0.1999   -0.5957   -0.1976   -0.5890    0.0070    1
    5    0   -2    0    0.0593   -0.2413    0.0566   -0.2258    0.0158    1
    6   -1    1    0   -0.0945    0.1070   -0.1046    0.1173    0.0145    1
    7   -2   -6    1    0.1237   -0.6108    0.1201   -0.5972    0.0141    1
    8    2   -6    1    0.1529   -0.2353    0.1441   -0.2219    0.0159    1
    9   -6    2   -1   -0.1834    0.0460   -0.1940    0.0483    0.0109    1
   10    2   -2    1    0.2370   -0.1324    0.2267   -0.1283    0.0111    1
   11    0   -2    1    0.5470   -0.6142    0.5314   -0.6143    0.0155    1
   12   -4    0   -1   -0.1766   -0.0367   -0.1815   -0.0378    0.0051    1
   13    6   -2    3    0.2025   -0.0078    0.1981   -0.0091    0.0045    1
   14    1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -6   -2   -1   -0.3372   -0.2365   -0.3358   -0.2354    0.0018    1
   16    2    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -2    3    0.7207   -0.0750    0.7260   -0.0804    0.0076    1
   18    0   -2    2    1.0526   -0.4893    1.0655   -0.4953    0.0142    1
   19    6    2    3    0.0396    0.0262    0.0407    0.0272    0.0015    1
   20    2    0    2    0.4340    0.1599    0.4436    0.1639    0.0104    1
   21   -2   -2   -1   -0.0401   -0.0664   -0.0357   -0.0605    0.0074    1
   22    2    2    3    0.2901    0.3159    0.2970    0.3320    0.0175    1
   23    0    2    1    0.0369    0.2522    0.0342    0.2676    0.0156    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -2   -6   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -2    6    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -2    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2   -6    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    2   -6    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -6    2   -1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    2   -2    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -2    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -4    0   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    6   -2    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -1    1    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -6   -2   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    2    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2   -2    3    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    0   -2    2    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    6    2    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2    0    2    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -2   -2   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    2    2    3    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    0    2    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.352                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    3.3081    1.0992    0.5500   89.8949   90.4774   90.0920      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    3.3420    1.0919    0.5481   90.0000   89.5245   90.0000      0.0000         6.0972    1.9920
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0010    0.0805    0.0399    0.0000    2.1195    0.0000      0.0000         0.4454    0.0279
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0553   -0.0540    0.2922)
 a2 = (    0.8679    0.2462   -0.1174)
 a3 = (   -0.4341    1.7161    0.4149)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0546   -0.0572    0.2886) (    0.0019    0.0065    0.0014)
 a2 = (    0.8739    0.2482   -0.1163) (    0.0657    0.0174    0.0050)
 a3 = (   -0.4354    1.7241    0.4082) (    0.0375    0.1317    0.0112)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.4980   76.5994 -165.8897    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            347            348
# Figure of merit at the beginning and the end of the refinement
        23.6139        25.6591
# Chi-squares at the beginning and the end of the refinement
    0.0458    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3    1    0   -0.7296   -0.0594   -0.7289   -0.0565    0.0030    1
    2    0    2    3   -0.0137   -0.1780   -0.0133   -0.1793    0.0014    1
    3    2    0   -1   -0.0255    0.0854   -0.0241    0.0824    0.0033    1
    4    3    1    1   -0.1956   -0.5871   -0.1976   -0.5890    0.0028    1
    5    0    0    1    0.0575   -0.2272    0.0566   -0.2258    0.0017    1
    6    3    1   -1   -0.1050    0.1167   -0.1046    0.1173    0.0007    1
    7    2    0    1    0.1201   -0.5973    0.1201   -0.5972    0.0001    1
    8    0   -2    3    0.1454   -0.2228    0.1441   -0.2219    0.0016    1
    9    6    4   -1   -0.1931    0.0481   -0.1940    0.0483    0.0010    1
   10    0   -2    1    0.2271   -0.1281    0.2267   -0.1283    0.0005    1
   11    3   -1    1    0.5333   -0.6140    0.5314   -0.6143    0.0019    1
   12    1    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    0   -6    1    0.1980   -0.0084    0.1981   -0.0091    0.0007    1
   14    3   -3    1    0.5296   -0.1504    0.5323   -0.1459    0.0052    1
   15    6    4    1   -0.3367   -0.2375   -0.3358   -0.2354    0.0023    1
   16    0   -2    0    0.1252    0.0355    0.1256    0.0356    0.0004    1
   17    6   -4    1    0.7286   -0.0831    0.7260   -0.0804    0.0038    1
   18    6   -2    1    1.0547   -0.5164    1.0655   -0.4953    0.0237    1
   19    0   -6   -1    0.0419    0.0280    0.0407    0.0272    0.0014    1
   20    1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    2    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    6   -4   -1    0.2970    0.3321    0.2970    0.3320    0.0001    1
   23    3   -1   -1    0.0338    0.2684    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    0    2    3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    2    0   -1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    3    1    1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    0    0    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    3    1   -1   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    2    0    1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    0   -2    3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    6    4   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    0   -2    1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    3   -1    1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1    1    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    0   -6    1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    3   -3    1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    6    4    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    6   -4    1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    6   -2    1    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    0   -6   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -1    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    0    2    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    6   -4   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    3   -1   -1    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.354                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2635    1.2580    1.2583   89.9684   90.1707   90.1443      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2752    1.2499    1.2549   90.0000   89.5245   90.0000      0.0000         1.0162    0.9960
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0004    0.0922    0.0913    0.0000    2.1195    0.0000      0.0000         0.0742    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1429    0.1452   -0.7648)
 a2 = (    0.7583    0.2151   -0.1029)
 a3 = (    0.1881   -0.7509   -0.1802)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1432    0.1498   -0.7563) (    0.0049    0.0171    0.0036)
 a2 = (    0.7634    0.2169   -0.1016) (    0.0574    0.0152    0.0044)
 a3 = (    0.1902   -0.7531   -0.1783) (    0.0164    0.0575    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -97.4980  103.4006   14.1103    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            345            349
# Figure of merit at the beginning and the end of the refinement
        24.6477        25.6224
# Chi-squares at the beginning and the end of the refinement
    0.0318    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    0    2   -6   -0.0139   -0.1762   -0.0133   -0.1793    0.0031    1
    3   -2    0    6   -0.0254    0.0861   -0.0241    0.0824    0.0039    1
    4   -1    1   -2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1    2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -2    0   -6    0.1191   -0.5956    0.1201   -0.5972    0.0019    1
    8    0   -2   -6    0.1442   -0.2222    0.1441   -0.2219    0.0003    1
    9   -2    4    2   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10    0   -2   -2    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11   -1   -1   -2    0.5327   -0.6132    0.5314   -0.6143    0.0017    1
   12   -1    3    0   -0.1809   -0.0374   -0.1815   -0.0378    0.0007    1
   13    0   -6   -2    0.1981   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -3   -2    0.5291   -0.1500    0.5323   -0.1459    0.0052    1
   15   -2    4   -2   -0.3359   -0.2365   -0.3358   -0.2354    0.0011    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -4   -2    0.7277   -0.0817    0.7260   -0.0804    0.0022    1
   18   -1   -1   -1    1.0549   -0.5128    1.0655   -0.4953    0.0204    1
   19    0   -6    2    0.0425    0.0285    0.0407    0.0272    0.0022    1
   20   -1   -3    0    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21    0    2   -2   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -2   -4    2    0.2961    0.3313    0.2970    0.3320    0.0011    1
   23   -1   -1    2    0.0344    0.2681    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    0    2   -6   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -2    0    6   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1   -2   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    0    0   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1    2   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -2    0   -6    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    0   -2   -6    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9   -2    4    2   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    0   -2   -2    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -1   -1   -2    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1    3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    0   -6   -2    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -1   -3   -2    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15   -2    4   -2   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -2    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -2   -4   -2    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18   -1   -1   -1    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    0   -6    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    0    2   -2   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -2   -4    2    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1   -1    2    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.355                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1042    3.3222    0.5455   90.6832   90.4000   88.4535      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0968    3.3109    0.5507   90.0000   89.9708   90.0000      0.0000         1.9916    6.0118
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1328    0.0078    0.0000    0.7813    0.0000      0.0000         0.0281    0.2265
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8639   -0.2456    0.1194)
 a2 = (   -0.0477    0.0559   -0.2920)
 a3 = (    0.4217   -1.7336   -0.4227)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8698   -0.2472    0.1168) (    0.0022    0.0074    0.0051)
 a2 = (   -0.0551    0.0563   -0.2916) (    0.0038    0.0036    0.0112)
 a3 = (    0.4328   -1.7145   -0.4127) (    0.0172    0.0243    0.0142)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.4406  103.1349   14.1367    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            359            349
# Figure of merit at the beginning and the end of the refinement
        10.9629        25.5309
# Chi-squares at the beginning and the end of the refinement
    0.2272    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    0   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2   -2    0   -3   -0.0146   -0.1796   -0.0133   -0.1793    0.0014    1
    3    0   -2    1   -0.0227    0.0811   -0.0241    0.0824    0.0019    1
    4   -1   -3   -1   -0.1905   -0.5895   -0.1976   -0.5890    0.0072    1
    5    0    0   -1    0.0560   -0.2302    0.0566   -0.2258    0.0044    1
    6   -1   -3    1   -0.0998    0.1157   -0.1046    0.1173    0.0051    1
    7    0   -2   -1    0.1200   -0.5966    0.1201   -0.5972    0.0006    1
    8    2    0   -3    0.1448   -0.2279    0.1441   -0.2219    0.0060    1
    9   -4   -6    1   -0.1916    0.0500   -0.1940    0.0483    0.0030    1
   10    2    0   -1    0.2307   -0.1333    0.2267   -0.1283    0.0064    1
   11    1   -3   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    6    0   -1    0.2028   -0.0094    0.1981   -0.0091    0.0046    1
   14    3   -3   -1    0.5328   -0.1539    0.5323   -0.1459    0.0080    1
   15   -4   -6   -1   -0.3376   -0.2421   -0.3358   -0.2354    0.0070    1
   16    2    0    0    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17    4   -6   -1    0.7289   -0.0844    0.7260   -0.0804    0.0050    1
   18    2   -6   -1    1.0472   -0.5100    1.0655   -0.4953    0.0234    1
   19    6    0    1    0.0424    0.0286    0.0407    0.0272    0.0021    1
   20    1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -2    0   -1   -0.0361   -0.0615   -0.0357   -0.0605    0.0010    1
   22    4   -6    1    0.2945    0.3271    0.2970    0.3320    0.0055    1
   23    1   -3    1    0.0365    0.2617    0.0342    0.2676    0.0063    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2   -2    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -2    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -3   -1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    0    0   -1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -3    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2   -1    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8    2    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -4   -6    1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11    1   -3   -1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12   -1   -1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    6    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3   -3   -1    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15   -4   -6   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16    2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    4   -6   -1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    2   -6   -1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19    6    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    1   -1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21   -2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    4   -6    1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23    1   -3    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.356                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1037    3.3044    0.5489   92.1779   90.8807   90.5645      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0968    3.3109    0.5507   90.0000   89.9708   90.0000      0.0000         1.9916    6.0118
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1328    0.0078    0.0000    0.7813    0.0000      0.0000         0.0281    0.2265
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8607    0.2586   -0.1162)
 a2 = (   -0.0561    0.0677   -0.2898)
 a3 = (   -0.4315    1.7228    0.4134)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8698    0.2472   -0.1168) (    0.0022    0.0074    0.0051)
 a2 = (   -0.0551    0.0563   -0.2916) (    0.0038    0.0036    0.0112)
 a3 = (   -0.4328    1.7145    0.4127) (    0.0172    0.0243    0.0142)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4406   76.8651 -165.8633    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            361            349
# Figure of merit at the beginning and the end of the refinement
         7.4618        25.5309
# Chi-squares at the beginning and the end of the refinement
    2.4172    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    0   -0.7299   -0.0393   -0.7289   -0.0565    0.0172    1
    2    2    0    3   -0.0132   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0   -2   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -3    1   -0.1981   -0.5895   -0.1976   -0.5890    0.0007    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -3   -1   -0.1010    0.1153   -0.1046    0.1173    0.0041    1
    7    0   -2    1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8   -2    0    3    0.1445   -0.2229    0.1441   -0.2219    0.0010    1
    9    4   -6   -1   -0.1915    0.0498   -0.1940    0.0483    0.0029    1
   10   -2    0    1    0.2283   -0.1279    0.2267   -0.1283    0.0017    1
   11   -1   -3    1    0.5510   -0.6183    0.5314   -0.6143    0.0200    1
   12    1   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -6    0    1    0.1982   -0.0061    0.1981   -0.0091    0.0030    1
   14   -3   -3    1    0.5366   -0.1403    0.5323   -0.1459    0.0071    1
   15    4   -6    1   -0.3376   -0.2371   -0.3358   -0.2354    0.0025    1
   16   -2    0    0    0.1238    0.0372    0.1256    0.0356    0.0024    1
   17   -4   -6    1    0.7351   -0.0586    0.7260   -0.0804    0.0235    1
   18   -2   -6    1    1.0999   -0.4841    1.0655   -0.4953    0.0362    1
   19   -6    0   -1    0.0405    0.0280    0.0407    0.0272    0.0008    1
   20   -1   -1    0    0.4333    0.1757    0.4436    0.1639    0.0157    1
   21    2    0    1   -0.0350   -0.0607   -0.0357   -0.0605    0.0007    1
   22   -4   -6   -1    0.2790    0.3300    0.2970    0.3320    0.0181    1
   23   -1   -3   -1    0.0308    0.2583    0.0342    0.2676    0.0100    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    2    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -2   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -3    1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    0    0    1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1   -3   -1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2    1    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    4   -6   -1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -3    1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    1   -1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -6    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3   -3    1    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    4   -6    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -4   -6    1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18   -2   -6    1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -6    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1   -1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -4   -6   -1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -1   -3   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.357                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0955    3.3168    0.5509   92.1951   90.8431   89.4206      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0968    3.3109    0.5507   90.0000   90.0292   90.0000      0.0000         1.9916    6.0118
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1328    0.0078    0.0000    0.7813    0.0000      0.0000         0.0281    0.2265
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8736    0.2346   -0.1235)
 a2 = (    0.0559   -0.0675    0.2887)
 a3 = (    0.4299   -1.7163   -0.4118)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8698    0.2472   -0.1168) (    0.0022    0.0074    0.0051)
 a2 = (    0.0551   -0.0563    0.2916) (    0.0038    0.0036    0.0112)
 a3 = (    0.4328   -1.7145   -0.4127) (    0.0172    0.0243    0.0142)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -7.5594  103.1349   14.1367    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            400            349
# Figure of merit at the beginning and the end of the refinement
         7.3753        25.5309
# Chi-squares at the beginning and the end of the refinement
    2.3482    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    0   -0.7125   -0.0220   -0.7289   -0.0565    0.0382    0
    2    2    0   -3   -0.0142   -0.1748   -0.0133   -0.1793    0.0046    1
    3    0    2    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    3   -1   -0.2057   -0.5883   -0.1976   -0.5890    0.0082    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    3    1   -0.0973    0.1114   -0.1046    0.1173    0.0093    1
    7    0    2   -1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8   -2    0   -3    0.1447   -0.2229    0.1441   -0.2219    0.0011    1
    9    4    6    1   -0.1802    0.0500   -0.1940    0.0483    0.0140    1
   10   -2    0   -1    0.2278   -0.1305    0.2267   -0.1283    0.0025    1
   11   -1    3   -1    0.5439   -0.6126    0.5314   -0.6143    0.0126    1
   12    1    1    0   -0.1722   -0.0310   -0.1815   -0.0378    0.0116    1
   13   -6    0   -1    0.2026   -0.0110    0.1981   -0.0091    0.0049    1
   14   -3    3   -1    0.5299   -0.1489    0.5323   -0.1459    0.0038    1
   15    4    6   -1   -0.3375   -0.2234   -0.3358   -0.2354    0.0122    1
   16   -2    0    0    0.1318    0.0354    0.1256    0.0356    0.0062    1
   17   -4    6   -1    0.7272   -0.0756    0.7260   -0.0804    0.0049    1
   18   -2    6   -1    1.0737   -0.4911    1.0655   -0.4953    0.0092    1
   19   -6    0    1    0.0481    0.0312    0.0407    0.0272    0.0084    1
   20   -1    1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    2    0   -1   -0.0334   -0.0553   -0.0357   -0.0605    0.0057    1
   22   -4    6    1    0.2946    0.3303    0.2970    0.3320    0.0029    1
   23   -1    3    1    0.0338    0.2640    0.0342    0.2676    0.0036    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    2    0   -3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0    2    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    3   -1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    0    0   -1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    3    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0    2   -1    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2    0   -3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    4    6    1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10   -2    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    3   -1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    1    1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -6    0   -1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3    3   -1    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    4    6   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -2    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -4    6   -1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18   -2    6   -1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -6    0    1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -1    1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -4    6    1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -1    3    1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.358                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3633    2.2425    0.6922   90.3933  109.0859   90.0069      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3746    2.2482    0.6868   90.0000  109.5621   90.0000      0.0000         2.0013    3.2733
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0088    0.0382    0.0125    0.0000    1.0338    0.0000      0.0000         0.0334    0.0713
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5880    0.4122    0.2945)
 a2 = (    0.1351   -0.3562    0.2318)
 a3 = (    1.2183   -0.1453   -0.9118)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5844    0.4100    0.2941) (    0.0049    0.0050    0.0056)
 a2 = (    0.1323   -0.3554    0.2324) (    0.0038    0.0072    0.0033)
 a3 = (    1.2387   -0.1362   -0.9135) (    0.0233    0.0150    0.0168)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   36.0881  139.7108   64.1220    0.6160    0.5171    0.7308
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0004    0.0014      0.0027    0.0024    0.0160

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         7.2677        14.2983
# Chi-squares at the beginning and the end of the refinement
    0.1317    0.0086
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2    4   -6   -1   -0.0145   -0.1766   -0.0133   -0.1793    0.0030    1
    3   -1    7    1   -0.0557    0.1078   -0.0241    0.0824    0.0405    0
    4    4   -2   -1   -0.1998   -0.5799   -0.1976   -0.5890    0.0093    1
    5    2   -4   -1    0.0550   -0.2261    0.0566   -0.2258    0.0016    1
    6    0    6    1   -0.1042    0.1173   -0.1046    0.1173    0.0004    1
    7    2   -2   -1    0.1107   -0.5960    0.1201   -0.5972    0.0095    1
    8    1   -3   -1    0.1423   -0.2235    0.1441   -0.2219    0.0023    1
    9    2    4    1   -0.1935    0.0492   -0.1940    0.0483    0.0010    1
   10    0   -2   -1    0.2260   -0.1302    0.2267   -0.1283    0.0020    1
   11    1   -1   -1    0.5249   -0.6267    0.5314   -0.6143    0.0140    1
   12    4    2    1   -0.1823   -0.0376   -0.1815   -0.0378    0.0008    1
   13   -1   -1   -1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    0   -2   -3    0.5331   -0.1560    0.5323   -0.1459    0.0101    1
   15    2    0    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    0   -1    0.1248    0.0354    0.1256    0.0356    0.0009    1
   17    0    0   -1    0.7379   -0.0880    0.7260   -0.0804    0.0141    1
   18    2    0   -3    1.0655   -0.5418    1.0655   -0.4953    0.0466    0
   19   -4    2   -1    0.0412    0.0277    0.0407    0.0272    0.0007    1
   20   -1    1   -1    0.4461    0.1663    0.4436    0.1639    0.0035    1
   21    1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    4   -1    0.2947    0.3344    0.2970    0.3320    0.0033    1
   23   -1    3    0    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7291   -0.0559   -0.7289   -0.0565    0.0006    1
    2    4   -6   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0024    1
    3   -1    7    1   -0.0564    0.1082   -0.0241    0.0824    0.0413    0
    4    4   -2   -1   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5    2   -4   -1    0.0571   -0.2263    0.0566   -0.2258    0.0007    1
    6    0    6    1   -0.1051    0.1171   -0.1046    0.1173    0.0005    1
    7    2   -2   -1    0.1200   -0.5975    0.1201   -0.5972    0.0003    1
    8    1   -3   -1    0.1448   -0.2222    0.1441   -0.2219    0.0007    1
    9    2    4    1   -0.1931    0.0482   -0.1940    0.0483    0.0009    1
   10    0   -2   -1    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11    1   -1   -1    0.5352   -0.6137    0.5314   -0.6143    0.0038    1
   12    4    2    1   -0.1813   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -1   -1   -1    0.1974   -0.0086    0.1981   -0.0091    0.0008    1
   14    0   -2   -3    0.5292   -0.1492    0.5323   -0.1459    0.0045    1
   15    2    0    0   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16   -2    0   -1    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17    0    0   -1    0.7278   -0.0804    0.7260   -0.0804    0.0018    1
   18    2    0   -3    1.0588   -0.5110    1.0655   -0.4953    0.0171    1
   19   -4    2   -1    0.0423    0.0278    0.0407    0.0272    0.0016    1
   20   -1    1   -1    0.4421    0.1640    0.4436    0.1639    0.0015    1
   21    1   -1    0   -0.0351   -0.0600   -0.0357   -0.0605    0.0008    1
   22   -2    4   -1    0.2959    0.3311    0.2970    0.3320    0.0014    1
   23   -1    3    0    0.0342    0.2680    0.0342    0.2676    0.0004    1

###            No.359                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3986    2.2070    0.6877   89.8462  109.5869   90.0614      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3737    2.2482    0.6873   90.0000  109.5621   90.0000      0.0000         1.9987    3.2712
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0088    0.0460    0.0121    0.0000    1.0338    0.0000      0.0000         0.0334    0.0596
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6046   -0.0583   -0.4551)
 a2 = (   -0.1397    0.3631   -0.2323)
 a3 = (    1.1692    0.8197    0.5856)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6194   -0.0681   -0.4568) (    0.0042    0.0071    0.0053)
 a2 = (   -0.1323    0.3554   -0.2324) (    0.0046    0.0084    0.0034)
 a3 = (    1.1689    0.8199    0.5882) (    0.0220    0.0177    0.0138)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -131.4722   52.0981  138.9241    0.5316    0.5616    0.5659
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0004    0.0014      0.0027    0.0024    0.0160

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.5603        13.9364
# Chi-squares at the beginning and the end of the refinement
    0.1930    0.0086
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    1   -0.7218   -0.0466   -0.7289   -0.0565    0.0122    1
    2   -1    3    1   -0.0129   -0.1738   -0.0133   -0.1793    0.0055    1
    3    3   -7    0   -0.0479    0.0467   -0.0241    0.0824    0.0430    0
    4   -1    1    1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5   -2    4    1    0.0560   -0.2232    0.0566   -0.2258    0.0026    1
    6    1   -3    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -2    2    1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8   -4    6    1    0.1428   -0.2210    0.1441   -0.2219    0.0016    1
    9    2   -4    1   -0.1932    0.0493   -0.1940    0.0483    0.0013    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -4    2    1    0.5394   -0.6278    0.5314   -0.6143    0.0157    1
   12    1   -1    1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13   -4    2   -1    0.1989   -0.0072    0.1981   -0.0091    0.0021    1
   14   -3    1    0    0.5391   -0.1484    0.5323   -0.1459    0.0072    1
   15    0    0    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    0   -1    0.1255    0.0371    0.1256    0.0356    0.0015    1
   17   -2    0    0    0.7458   -0.0719    0.7260   -0.0804    0.0215    1
   18   -7    1    1    0.8863   -0.4402    1.0655   -0.4953    0.1874    0
   19   -1   -1   -1    0.0423    0.0291    0.0407    0.0272    0.0024    1
   20   -4   -2   -1    0.4437    0.1761    0.4436    0.1639    0.0123    1
   21    0    2    1   -0.0339   -0.0588   -0.0357   -0.0605    0.0025    1
   22   -2   -4   -1    0.2866    0.3396    0.2970    0.3320    0.0128    1
   23    0   -6   -1    0.0294    0.2662    0.0342    0.2676    0.0050    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    1   -0.7291   -0.0559   -0.7289   -0.0565    0.0006    1
    2   -1    3    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0024    1
    3    3   -7    0   -0.0474    0.0456   -0.0241    0.0824    0.0436    0
    4   -1    1    1   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5   -2    4    1    0.0571   -0.2263    0.0566   -0.2258    0.0007    1
    6    1   -3    0   -0.1051    0.1171   -0.1046    0.1173    0.0005    1
    7   -2    2    1    0.1200   -0.5975    0.1201   -0.5972    0.0003    1
    8   -4    6    1    0.1448   -0.2222    0.1441   -0.2219    0.0007    1
    9    2   -4    1   -0.1931    0.0482   -0.1940    0.0483    0.0009    1
   10   -1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -4    2    1    0.5352   -0.6137    0.5314   -0.6143    0.0038    1
   12    1   -1    1   -0.1813   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -4    2   -1    0.1974   -0.0086    0.1981   -0.0091    0.0008    1
   14   -3    1    0    0.5292   -0.1492    0.5323   -0.1459    0.0045    1
   15    0    0    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16   -2    0   -1    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17   -2    0    0    0.7278   -0.0804    0.7260   -0.0804    0.0018    1
   18   -6    0    1    1.0588   -0.5110    1.0655   -0.4953    0.0171    1
   19   -1   -1   -1    0.0423    0.0278    0.0407    0.0272    0.0016    1
   20   -4   -2   -1    0.4421    0.1640    0.4436    0.1639    0.0015    1
   21    0    2    1   -0.0351   -0.0600   -0.0357   -0.0605    0.0008    1
   22   -2   -4   -1    0.2959    0.3311    0.2970    0.3320    0.0014    1
   23    0   -6   -1    0.0342    0.2680    0.0342    0.2676    0.0004    1

###            No.360                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3770    2.2559    0.6825   90.3441  109.3826   89.7433      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3775    2.2465    0.6868   90.0000  109.7831   90.0000      0.0000         2.0055    3.2708
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0081    0.0375    0.0115    0.0000    0.9389    0.0000      0.0000         0.0298    0.0653
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5817    0.4098    0.2939)
 a2 = (    0.1312   -0.3545    0.2315)
 a3 = (    1.2468   -0.1454   -0.9149)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5847    0.4091    0.2933) (    0.0047    0.0049    0.0054)
 a2 = (    0.1324   -0.3558    0.2323) (    0.0037    0.0071    0.0032)
 a3 = (    1.2423   -0.1336   -0.9127) (    0.0199    0.0135    0.0162)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   36.0674  139.7815   64.0598    0.6139    0.4715    0.7197
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0000   -0.0006   -0.0002      0.0027    0.0024    0.0152

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
        10.9901        13.8946
# Chi-squares at the beginning and the end of the refinement
    0.0418    0.0159
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7326   -0.0568   -0.7289   -0.0565    0.0037    1
    2    4   -6   -1   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3   -1    7    1   -0.0556    0.1067   -0.0241    0.0824    0.0398    0
    4    4   -2   -1   -0.1932   -0.5893   -0.1976   -0.5890    0.0044    1
    5    2   -4   -1    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    0    6    1   -0.1037    0.1159   -0.1046    0.1173    0.0016    1
    7    2   -2   -1    0.1230   -0.5956    0.1201   -0.5972    0.0033    1
    8    1   -3   -1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    2    4    1   -0.1918    0.0486   -0.1940    0.0483    0.0023    1
   10    0   -2   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1   -1    0.5324   -0.6082    0.5314   -0.6143    0.0061    1
   12    4    2    1   -0.1811   -0.0370   -0.1815   -0.0378    0.0009    1
   13   -1   -1   -1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14    0   -2   -3    0.5269   -0.1507    0.5323   -0.1459    0.0073    1
   15    2    0    0   -0.3377   -0.2379   -0.3358   -0.2354    0.0031    1
   16   -2    0   -1    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17    0    0   -1    0.7239   -0.0844    0.7260   -0.0804    0.0046    1
   18    2    0   -3    1.0450   -0.5092    1.0655   -0.4953    0.0248    1
   19   -4    2   -1    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20   -1    1   -1    0.4433    0.1617    0.4436    0.1639    0.0022    1
   21    1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    4   -1    0.2979    0.3306    0.2970    0.3320    0.0017    1
   23   -1    3    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7291   -0.0547   -0.7289   -0.0565    0.0018    1
    2    4   -6   -1   -0.0137   -0.1768   -0.0133   -0.1793    0.0026    1
    3   -1    7    1   -0.0569    0.1083   -0.0241    0.0824    0.0418    0
    4    4   -2   -1   -0.1969   -0.5880   -0.1976   -0.5890    0.0012    1
    5    2   -4   -1    0.0572   -0.2261    0.0566   -0.2258    0.0007    1
    6    0    6    1   -0.1055    0.1169   -0.1046    0.1173    0.0010    1
    7    2   -2   -1    0.1213   -0.5981    0.1201   -0.5972    0.0015    1
    8    1   -3   -1    0.1449   -0.2218    0.1441   -0.2219    0.0008    1
    9    2    4    1   -0.1930    0.0478   -0.1940    0.0483    0.0012    1
   10    0   -2   -1    0.2261   -0.1275    0.2267   -0.1283    0.0010    1
   11    1   -1   -1    0.5374   -0.6119    0.5314   -0.6143    0.0065    1
   12    4    2    1   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -1   -1   -1    0.1972   -0.0087    0.1981   -0.0091    0.0010    1
   14    0   -2   -3    0.5285   -0.1479    0.5323   -0.1459    0.0042    1
   15    2    0    0   -0.3369   -0.2363   -0.3358   -0.2354    0.0014    1
   16   -2    0   -1    0.1251    0.0349    0.1256    0.0356    0.0009    1
   17    0    0   -1    0.7264   -0.0787    0.7260   -0.0804    0.0017    1
   18    2    0   -3    1.0595   -0.5056    1.0655   -0.4953    0.0119    1
   19   -4    2   -1    0.0426    0.0278    0.0407    0.0272    0.0019    1
   20   -1    1   -1    0.4414    0.1639    0.4436    0.1639    0.0022    1
   21    1   -1    0   -0.0350   -0.0597   -0.0357   -0.0605    0.0011    1
   22   -2    4   -1    0.2959    0.3309    0.2970    0.3320    0.0016    1
   23   -1    3    0    0.0341    0.2685    0.0342    0.2676    0.0009    1

###            No.363                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3792    2.2376    0.6881   89.6553  109.6158   90.9082      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3775    2.2465    0.6868   90.0000  109.7831   90.0000      0.0000         2.0055    3.2708
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0081    0.0375    0.0115    0.0000    0.9389    0.0000      0.0000         0.0298    0.0653
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5828   -0.4086   -0.2934)
 a2 = (    0.1291   -0.3612    0.2294)
 a3 = (   -1.2383    0.1370    0.9100)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5847   -0.4091   -0.2933) (    0.0047    0.0049    0.0054)
 a2 = (    0.1324   -0.3558    0.2323) (    0.0037    0.0071    0.0032)
 a3 = (   -1.2423    0.1336    0.9127) (    0.0199    0.0135    0.0162)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -36.0674   40.2185 -115.9402    0.6139    0.4715    0.7197
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0000   -0.0006   -0.0002      0.0027    0.0024    0.0152

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
        10.6159        13.8946
# Chi-squares at the beginning and the end of the refinement
    0.0363    0.0159
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7312   -0.0486   -0.7289   -0.0565    0.0082    1
    2   -4   -6    1   -0.0144   -0.1783   -0.0133   -0.1793    0.0015    1
    3    1    7   -1   -0.0528    0.1042   -0.0241    0.0824    0.0361    0
    4   -4   -2    1   -0.1961   -0.5859   -0.1976   -0.5890    0.0035    1
    5   -2   -4    1    0.0559   -0.2276    0.0566   -0.2258    0.0020    1
    6    0    6   -1   -0.1003    0.1149   -0.1046    0.1173    0.0049    1
    7   -2   -2    1    0.1176   -0.5959    0.1201   -0.5972    0.0029    1
    8   -1   -3    1    0.1435   -0.2243    0.1441   -0.2219    0.0024    1
    9   -2    4   -1   -0.1905    0.0499   -0.1940    0.0483    0.0039    1
   10    0   -2    1    0.2267   -0.1302    0.2267   -0.1283    0.0019    1
   11   -1   -1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -4    2   -1   -0.1813   -0.0367   -0.1815   -0.0378    0.0011    1
   13    1   -1    1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    0   -2    3    0.5286   -0.1508    0.5323   -0.1459    0.0061    1
   15   -2    0    0   -0.3375   -0.2366   -0.3358   -0.2354    0.0021    1
   16    2    0    1    0.1245    0.0352    0.1256    0.0356    0.0012    1
   17    0    0    1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -2    0    3    1.0560   -0.5088    1.0655   -0.4953    0.0165    1
   19    4    2    1    0.0407    0.0273    0.0407    0.0272    0.0000    1
   20    1    1    1    0.4387    0.1641    0.4436    0.1639    0.0049    1
   21   -1   -1    0   -0.0363   -0.0616   -0.0357   -0.0605    0.0013    1
   22    2    4    1    0.2900    0.3264    0.2970    0.3320    0.0089    1
   23    1    3    0    0.0341    0.2602    0.0342    0.2676    0.0074    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7291   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -4   -6    1   -0.0137   -0.1768   -0.0133   -0.1793    0.0026    1
    3    1    7   -1   -0.0569    0.1083   -0.0241    0.0824    0.0418    0
    4   -4   -2    1   -0.1969   -0.5880   -0.1976   -0.5890    0.0012    1
    5   -2   -4    1    0.0572   -0.2261    0.0566   -0.2258    0.0007    1
    6    0    6   -1   -0.1055    0.1169   -0.1046    0.1173    0.0010    1
    7   -2   -2    1    0.1213   -0.5981    0.1201   -0.5972    0.0015    1
    8   -1   -3    1    0.1449   -0.2218    0.1441   -0.2219    0.0008    1
    9   -2    4   -1   -0.1930    0.0478   -0.1940    0.0483    0.0012    1
   10    0   -2    1    0.2261   -0.1275    0.2267   -0.1283    0.0010    1
   11   -1   -1    1    0.5374   -0.6119    0.5314   -0.6143    0.0065    1
   12   -4    2   -1   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    1   -1    1    0.1972   -0.0087    0.1981   -0.0091    0.0010    1
   14    0   -2    3    0.5285   -0.1479    0.5323   -0.1459    0.0042    1
   15   -2    0    0   -0.3369   -0.2363   -0.3358   -0.2354    0.0014    1
   16    2    0    1    0.1251    0.0349    0.1256    0.0356    0.0009    1
   17    0    0    1    0.7264   -0.0787    0.7260   -0.0804    0.0017    1
   18   -2    0    3    1.0595   -0.5056    1.0655   -0.4953    0.0119    1
   19    4    2    1    0.0426    0.0278    0.0407    0.0272    0.0019    1
   20    1    1    1    0.4414    0.1639    0.4436    0.1639    0.0022    1
   21   -1   -1    0   -0.0350   -0.0597   -0.0357   -0.0605    0.0011    1
   22    2    4    1    0.2959    0.3309    0.2970    0.3320    0.0016    1
   23    1    3    0    0.0341    0.2685    0.0342    0.2676    0.0009    1

###            No.370                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3793    2.2540    0.6825   89.7516  109.5154   90.2783      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3720    2.2500    0.6858   90.0000  109.1533   90.0000      0.0000         2.0005    3.2806
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0073    0.0523    0.0140    0.0000    0.8726    0.0000      0.0000         0.0367    0.0672
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0940   -0.7366    0.2004)
 a2 = (   -0.3565   -0.0276   -0.2627)
 a3 = (    0.7963   -0.9097   -0.9772)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0948   -0.7386    0.2019) (    0.0075    0.0019    0.0053)
 a2 = (   -0.3569   -0.0262   -0.2636) (    0.0096    0.0035    0.0049)
 a3 = (    0.7880   -0.8975   -0.9777) (    0.0193    0.0168    0.0204)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  156.1853  139.5933   64.1071    0.6126    0.4607    0.7055
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0058      0.0024    0.0026    0.0127

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
        10.9103        13.8529
# Chi-squares at the beginning and the end of the refinement
    0.0629    0.0182
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7326   -0.0568   -0.7289   -0.0565    0.0037    1
    2   -4   -2   -1   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3    4   -2    1   -0.0252    0.0845   -0.0241    0.0824    0.0023    1
    4   -2   -4   -1   -0.1932   -0.5893   -0.1976   -0.5890    0.0044    1
    5   -2    0   -1    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    2   -4    1   -0.1037    0.1159   -0.1046    0.1173    0.0016    1
    7   -1   -1   -1    0.1230   -0.5956    0.1201   -0.5972    0.0033    1
    8   -1    1   -1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    0   -6    1   -0.1918    0.0486   -0.1940    0.0483    0.0023    1
   10    0    2   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0    0   -1    0.5324   -0.6082    0.5314   -0.6143    0.0061    1
   12   -1   -7    1   -0.1954   -0.0012   -0.1815   -0.0378    0.0391    0
   13    1    3   -1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14    2    4   -3    0.5269   -0.1507    0.5323   -0.1459    0.0073    1
   15   -1   -3    0   -0.3377   -0.2379   -0.3358   -0.2354    0.0031    1
   16    2    4   -1    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17    1    1   -1    0.7239   -0.0844    0.7260   -0.0804    0.0046    1
   18    2    0   -3    1.0450   -0.5092    1.0655   -0.4953    0.0248    1
   19    4    6   -1    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20    2    2   -1    0.4433    0.1617    0.4436    0.1639    0.0022    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    4    2   -1    0.2979    0.3306    0.2970    0.3320    0.0017    1
   23    2    0    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7300   -0.0543   -0.7289   -0.0565    0.0025    1
    2   -4   -2   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    4   -2    1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4   -2   -4   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6    2   -4    1   -0.1043    0.1165   -0.1046    0.1173    0.0008    1
    7   -1   -1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1   -1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    0   -6    1   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    0    2   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    0   -1    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12   -1   -7    1   -0.1954   -0.0020   -0.1815   -0.0378    0.0383    0
   13    1    3   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    4   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -3    0   -0.3364   -0.2367   -0.3358   -0.2354    0.0014    1
   16    2    4   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    1    1   -1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    2    0   -3    1.0595   -0.5047    1.0655   -0.4953    0.0112    1
   19    4    6   -1    0.0426    0.0277    0.0407    0.0272    0.0019    1
   20    2    2   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1    0   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    4    2   -1    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    2    0    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.371                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3657    2.2633    0.6878   90.4222  109.8101   89.7021      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3720    2.2500    0.6858   90.0000  109.1533   90.0000      0.0000         2.0005    3.2806
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0073    0.0523    0.0140    0.0000    0.8726    0.0000      0.0000         0.0367    0.0672
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0979    0.7464   -0.1978)
 a2 = (   -0.3561   -0.0237   -0.2606)
 a3 = (   -0.7848    0.9072    0.9743)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0948    0.7386   -0.2019) (    0.0075    0.0019    0.0053)
 a2 = (   -0.3569   -0.0262   -0.2636) (    0.0096    0.0035    0.0049)
 a3 = (   -0.7880    0.8975    0.9777) (    0.0193    0.0168    0.0204)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -156.1853   40.4067 -115.8929    0.6126    0.4607    0.7055
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0058      0.0024    0.0026    0.0127

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
        10.0391        13.8529
# Chi-squares at the beginning and the end of the refinement
    0.1428    0.0182
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7286   -0.0485   -0.7289   -0.0565    0.0080    1
    2    4   -2    1   -0.0144   -0.1776   -0.0133   -0.1793    0.0020    1
    3   -4   -2   -1   -0.0233    0.0812   -0.0241    0.0824    0.0015    1
    4    2   -4    1   -0.1956   -0.5843   -0.1976   -0.5890    0.0050    1
    5    2    0    1    0.0558   -0.2275    0.0566   -0.2258    0.0018    1
    6   -2   -4   -1   -0.0996    0.1141   -0.1046    0.1173    0.0060    1
    7    1   -1    1    0.1174   -0.5952    0.1201   -0.5972    0.0033    1
    8    1    1    1    0.1437   -0.2246    0.1441   -0.2219    0.0027    1
    9    0   -6   -1   -0.1887    0.0494   -0.1940    0.0483    0.0054    1
   10    0    2    1    0.2276   -0.1307    0.2267   -0.1283    0.0026    1
   11    0    0    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1   -7   -1   -0.1932   -0.0003   -0.1815   -0.0378    0.0393    0
   13   -1    3    1    0.1997   -0.0092    0.1981   -0.0091    0.0016    1
   14   -2    4    3    0.5296   -0.1511    0.5323   -0.1459    0.0058    1
   15    1   -3    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    4    1    0.1261    0.0357    0.1256    0.0356    0.0005    1
   17   -1    1    1    0.7269   -0.0805    0.7260   -0.0804    0.0009    1
   18   -2    0    3    1.0561   -0.5089    1.0655   -0.4953    0.0165    1
   19   -4    6    1    0.0421    0.0282    0.0407    0.0272    0.0016    1
   20   -2    2    1    0.4399    0.1645    0.4436    0.1639    0.0037    1
   21    1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -4    2    1    0.2906    0.3272    0.2970    0.3320    0.0080    1
   23   -2    0    0    0.0342    0.2605    0.0342    0.2676    0.0072    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7300   -0.0543   -0.7289   -0.0565    0.0025    1
    2    4   -2    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -4   -2   -1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    2   -4    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2   -4   -1   -0.1043    0.1165   -0.1046    0.1173    0.0008    1
    7    1   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    1    1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    0   -6   -1   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    0    2    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    0    1    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    1   -7   -1   -0.1954   -0.0020   -0.1815   -0.0378    0.0383    0
   13   -1    3    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    4    3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -3    0   -0.3364   -0.2367   -0.3358   -0.2354    0.0014    1
   16   -2    4    1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -1    1    1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18   -2    0    3    1.0595   -0.5047    1.0655   -0.4953    0.0112    1
   19   -4    6    1    0.0426    0.0277    0.0407    0.0272    0.0019    1
   20   -2    2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -4    2    1    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23   -2    0    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.381                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3804    2.2553    0.6802   90.5370  109.1528   90.5895      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3737    2.2465    0.6887   90.0000  109.7831   90.0000      0.0000         1.9945    3.2619
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0081    0.0423    0.0105    0.0000    0.9389    0.0000      0.0000         0.0297    0.0563
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6121    0.0731    0.4564)
 a2 = (   -0.1386    0.3519   -0.2317)
 a3 = (   -1.1792   -0.8267   -0.5906)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6211    0.0668    0.4563) (    0.0038    0.0063    0.0048)
 a2 = (   -0.1324    0.3558   -0.2323) (    0.0043    0.0078    0.0031)
 a3 = (   -1.1694   -0.8182   -0.5866) (    0.0201    0.0161    0.0129)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  131.5043  128.0361  -40.9871    0.5045    0.4979    0.5405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0000   -0.0006   -0.0002      0.0027    0.0024    0.0152

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         7.7662        13.5715
# Chi-squares at the beginning and the end of the refinement
    0.2748    0.0159
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2   -1   -0.7185   -0.0607   -0.7289   -0.0565    0.0112    1
    2    1    3   -1   -0.0139   -0.1789   -0.0133   -0.1793    0.0007    1
    3   -3   -7    0   -0.0470    0.0449   -0.0241    0.0824    0.0439    0
    4    1    1   -1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    2    4   -1    0.0573   -0.2278    0.0566   -0.2258    0.0022    1
    6   -1   -3    0   -0.1052    0.1156   -0.1046    0.1173    0.0018    1
    7    2    2   -1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    4    6   -1    0.1452   -0.2232    0.1441   -0.2219    0.0017    1
    9   -2   -4   -1   -0.1927    0.0474   -0.1940    0.0483    0.0016    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    4    2   -1    0.5285   -0.6230    0.5314   -0.6143    0.0092    1
   12   -1   -1   -1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    4    2    1    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14    3    1    0    0.5315   -0.1537    0.5323   -0.1459    0.0078    1
   15    0    0   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2    0    1    0.1241    0.0351    0.1256    0.0356    0.0016    1
   17    2    0    0    0.7351   -0.0878    0.7260   -0.0804    0.0117    1
   18    6    0   -1    1.0617   -0.5388    1.0655   -0.4953    0.0437    1
   19    1   -1    1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    4   -2    1    0.4460    0.1648    0.4436    0.1639    0.0026    1
   21    0    2   -1   -0.0364   -0.0617   -0.0357   -0.0605    0.0014    1
   22    2   -4    1    0.2968    0.3352    0.2970    0.3320    0.0032    1
   23    0   -6    1    0.0318    0.2683    0.0342    0.2676    0.0025    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2   -1   -0.7291   -0.0547   -0.7289   -0.0565    0.0018    1
    2    1    3   -1   -0.0137   -0.1768   -0.0133   -0.1793    0.0026    1
    3   -3   -7    0   -0.0478    0.0455   -0.0241    0.0824    0.0439    0
    4    1    1   -1   -0.1969   -0.5880   -0.1976   -0.5890    0.0012    1
    5    2    4   -1    0.0572   -0.2261    0.0566   -0.2258    0.0007    1
    6   -1   -3    0   -0.1055    0.1169   -0.1046    0.1173    0.0010    1
    7    2    2   -1    0.1213   -0.5981    0.1201   -0.5972    0.0015    1
    8    4    6   -1    0.1449   -0.2218    0.1441   -0.2219    0.0008    1
    9   -2   -4   -1   -0.1930    0.0478   -0.1940    0.0483    0.0012    1
   10    1    1    0    0.2261   -0.1275    0.2267   -0.1283    0.0010    1
   11    4    2   -1    0.5374   -0.6119    0.5314   -0.6143    0.0065    1
   12   -1   -1   -1   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    4    2    1    0.1972   -0.0087    0.1981   -0.0091    0.0010    1
   14    3    1    0    0.5285   -0.1479    0.5323   -0.1459    0.0042    1
   15    0    0   -1   -0.3369   -0.2363   -0.3358   -0.2354    0.0014    1
   16    2    0    1    0.1251    0.0349    0.1256    0.0356    0.0009    1
   17    2    0    0    0.7264   -0.0787    0.7260   -0.0804    0.0017    1
   18    6    0   -1    1.0595   -0.5056    1.0655   -0.4953    0.0119    1
   19    1   -1    1    0.0426    0.0278    0.0407    0.0272    0.0019    1
   20    4   -2    1    0.4414    0.1639    0.4436    0.1639    0.0022    1
   21    0    2   -1   -0.0350   -0.0597   -0.0357   -0.0605    0.0011    1
   22    2   -4    1    0.2959    0.3309    0.2970    0.3320    0.0016    1
   23    0   -6    1    0.0341    0.2685    0.0342    0.2676    0.0009    1

###            No.384                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3749    2.2482    0.6866   90.2678  109.5480   89.6806      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3737    2.2465    0.6887   90.0000  109.7831   90.0000      0.0000         1.9945    3.2619
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0081    0.0423    0.0105    0.0000    0.9389    0.0000      0.0000         0.0297    0.0563
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6195   -0.0686   -0.4552)
 a2 = (   -0.1321    0.3569   -0.2303)
 a3 = (    1.1694    0.8198    0.5910)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6211   -0.0668   -0.4563) (    0.0038    0.0063    0.0048)
 a2 = (   -0.1324    0.3558   -0.2323) (    0.0043    0.0078    0.0031)
 a3 = (    1.1694    0.8182    0.5866) (    0.0201    0.0161    0.0129)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -131.5043   51.9639  139.0129    0.5045    0.4979    0.5405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0000   -0.0006   -0.0002      0.0027    0.0024    0.0152

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
        10.5990        13.5715
# Chi-squares at the beginning and the end of the refinement
    0.0618    0.0159
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    1   -0.7296   -0.0539   -0.7289   -0.0565    0.0027    1
    2   -1    3    1   -0.0141   -0.1803   -0.0133   -0.1793    0.0013    1
    3    3   -7    0   -0.0455    0.0442   -0.0241    0.0824    0.0438    0
    4   -1    1    1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -2    4    1    0.0574   -0.2290    0.0566   -0.2258    0.0033    1
    6    1   -3    0   -0.1027    0.1152   -0.1046    0.1173    0.0028    1
    7   -2    2    1    0.1197   -0.5992    0.1201   -0.5972    0.0020    1
    8   -4    6    1    0.1455   -0.2240    0.1441   -0.2219    0.0025    1
    9    2   -4    1   -0.1925    0.0488   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -4    2    1    0.5345   -0.6145    0.5314   -0.6143    0.0031    1
   12    1   -1    1   -0.1829   -0.0375   -0.1815   -0.0378    0.0013    1
   13   -4    2   -1    0.1964   -0.0084    0.1981   -0.0091    0.0019    1
   14   -3    1    0    0.5283   -0.1493    0.5323   -0.1459    0.0053    1
   15    0    0    1   -0.3389   -0.2376   -0.3358   -0.2354    0.0038    1
   16   -2    0   -1    0.1228    0.0348    0.1256    0.0356    0.0029    1
   17   -2    0    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -6    0    1    1.0573   -0.5110    1.0655   -0.4953    0.0177    1
   19   -1   -1   -1    0.0394    0.0264    0.0407    0.0272    0.0016    1
   20   -4   -2   -1    0.4389    0.1634    0.4436    0.1639    0.0047    1
   21    0    2    1   -0.0372   -0.0631   -0.0357   -0.0605    0.0030    1
   22   -2   -4   -1    0.2920    0.3278    0.2970    0.3320    0.0066    1
   23    0   -6   -1    0.0334    0.2627    0.0342    0.2676    0.0050    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    1   -0.7291   -0.0547   -0.7289   -0.0565    0.0018    1
    2   -1    3    1   -0.0137   -0.1768   -0.0133   -0.1793    0.0026    1
    3    3   -7    0   -0.0478    0.0455   -0.0241    0.0824    0.0439    0
    4   -1    1    1   -0.1969   -0.5880   -0.1976   -0.5890    0.0012    1
    5   -2    4    1    0.0572   -0.2261    0.0566   -0.2258    0.0007    1
    6    1   -3    0   -0.1055    0.1169   -0.1046    0.1173    0.0010    1
    7   -2    2    1    0.1213   -0.5981    0.1201   -0.5972    0.0015    1
    8   -4    6    1    0.1449   -0.2218    0.1441   -0.2219    0.0008    1
    9    2   -4    1   -0.1930    0.0478   -0.1940    0.0483    0.0012    1
   10   -1    1    0    0.2261   -0.1275    0.2267   -0.1283    0.0010    1
   11   -4    2    1    0.5374   -0.6119    0.5314   -0.6143    0.0065    1
   12    1   -1    1   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -4    2   -1    0.1972   -0.0087    0.1981   -0.0091    0.0010    1
   14   -3    1    0    0.5285   -0.1479    0.5323   -0.1459    0.0042    1
   15    0    0    1   -0.3369   -0.2363   -0.3358   -0.2354    0.0014    1
   16   -2    0   -1    0.1251    0.0349    0.1256    0.0356    0.0009    1
   17   -2    0    0    0.7264   -0.0787    0.7260   -0.0804    0.0017    1
   18   -6    0    1    1.0595   -0.5056    1.0655   -0.4953    0.0119    1
   19   -1   -1   -1    0.0426    0.0278    0.0407    0.0272    0.0019    1
   20   -4   -2   -1    0.4414    0.1639    0.4436    0.1639    0.0022    1
   21    0    2    1   -0.0350   -0.0597   -0.0357   -0.0605    0.0011    1
   22   -2   -4   -1    0.2959    0.3309    0.2970    0.3320    0.0016    1
   23    0   -6   -1    0.0341    0.2685    0.0342    0.2676    0.0009    1

###            No.385                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3816    2.2180    0.6934   89.4250  109.7099   90.7461      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3739    2.2441    0.6877   90.0000  109.4018   90.0000      0.0000         1.9977    3.2631
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0087    0.0483    0.0131    0.0000    1.0247    0.0000      0.0000         0.0391    0.0833
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3844    0.4512    0.4898)
 a2 = (    0.3629    0.0281    0.2661)
 a3 = (    0.1722    1.4673   -0.4055)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3927    0.4505    0.4883) (    0.0055    0.0066    0.0041)
 a2 = (    0.3583    0.0267    0.2635) (    0.0096    0.0035    0.0037)
 a3 = (    0.1863    1.4763   -0.4028) (    0.0172    0.0301    0.0107)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   46.9315  119.9908  159.2145    0.4671    0.6565    0.5475
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0039      0.0024    0.0027    0.0143

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.2527        12.2692
# Chi-squares at the beginning and the end of the refinement
    0.1207    0.0116
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    1    1   -0.0139   -0.1789   -0.0133   -0.1793    0.0007    1
    3   -1    1   -1   -0.0268    0.0880   -0.0241    0.0824    0.0062    1
    4    2    4    1   -0.2033   -0.5901   -0.1976   -0.5890    0.0058    1
    5    2    0    1    0.0573   -0.2278    0.0566   -0.2258    0.0022    1
    6   -2    4   -1   -0.1081    0.1192   -0.1046    0.1173    0.0040    1
    7    4    2    1    0.1161   -0.6044    0.1201   -0.5972    0.0083    1
    8    4   -2    1    0.1452   -0.2232    0.1441   -0.2219    0.0017    1
    9   -1    3    0   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    0    0    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1    5    1   -0.1483   -0.0723   -0.1815   -0.0378    0.0480    0
   13    4   -6   -1    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14    6   -4   -1    0.5360   -0.1538    0.5323   -0.1459    0.0087    1
   15    0    6    1   -0.3414   -0.2377   -0.3358   -0.2354    0.0061    1
   16    2   -4   -1    0.1241    0.0351    0.1256    0.0356    0.0016    1
   17    4   -2   -1    0.7425   -0.0857    0.7260   -0.0804    0.0174    1
   18    6    0   -1    1.0793   -0.5399    1.0655   -0.4953    0.0468    0
   19    1   -3   -1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    2   -2   -1    0.4493    0.1675    0.4436    0.1639    0.0068    1
   21    0    2    1   -0.0364   -0.0617   -0.0357   -0.0605    0.0014    1
   22    1   -1   -1    0.2989    0.3394    0.2970    0.3320    0.0076    1
   23    0    0   -1    0.0320    0.2726    0.0342    0.2676    0.0054    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7282   -0.0546   -0.7289   -0.0565    0.0020    1
    2    1    1    1   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -1    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    4    1   -0.1966   -0.5870   -0.1976   -0.5890    0.0022    1
    5    2    0    1    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6   -2    4   -1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    4    2    1    0.1201   -0.5975    0.1201   -0.5972    0.0004    1
    8    4   -2    1    0.1450   -0.2223    0.1441   -0.2219    0.0009    1
    9   -1    3    0   -0.1925    0.0483   -0.1940    0.0483    0.0015    1
   10    1   -1    0    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11    2    0    0    0.5352   -0.6139    0.5314   -0.6143    0.0038    1
   12   -1    5    1   -0.1443   -0.0711   -0.1815   -0.0378    0.0500    0
   13    4   -6   -1    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14    6   -4   -1    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15    0    6    1   -0.3367   -0.2365   -0.3358   -0.2354    0.0014    1
   16    2   -4   -1    0.1250    0.0350    0.1256    0.0356    0.0009    1
   17    4   -2   -1    0.7280   -0.0804    0.7260   -0.0804    0.0020    1
   18    6    0   -1    1.0596   -0.5113    1.0655   -0.4953    0.0171    1
   19    1   -3   -1    0.0422    0.0276    0.0407    0.0272    0.0015    1
   20    2   -2   -1    0.4420    0.1641    0.4436    0.1639    0.0016    1
   21    0    2    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1   -1   -1    0.2954    0.3308    0.2970    0.3320    0.0020    1
   23    0    0   -1    0.0342    0.2671    0.0342    0.2676    0.0005    1

###            No.386                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4045    2.2513    0.6758   89.7221  110.5898   90.8483      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3717    2.2500    0.6860   90.0000  109.1533   90.0000      0.0000         1.9995    3.2798
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0073    0.0430    0.0121    0.0000    0.8726    0.0000      0.0000         0.0367    0.0763
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3787    0.4445    0.4875)
 a2 = (    0.3575    0.0277    0.2622)
 a3 = (    0.1687    1.5226   -0.3900)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3940    0.4488    0.4889) (    0.0045    0.0055    0.0039)
 a2 = (    0.3569    0.0262    0.2636) (    0.0083    0.0034    0.0036)
 a3 = (    0.1897    1.4772   -0.4039) (    0.0157    0.0282    0.0105)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   46.8876  119.8069  159.2492    0.4349    0.5237    0.5420
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0058      0.0024    0.0026    0.0127

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9275        12.2056
# Chi-squares at the beginning and the end of the refinement
    0.4049    0.0182
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    1    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -1    1   -1   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4    2    4    1   -0.1944   -0.5828   -0.1976   -0.5890    0.0070    1
    5    2    0    1    0.0559   -0.2289    0.0566   -0.2258    0.0032    1
    6   -2    4   -1   -0.0999    0.1139   -0.1046    0.1173    0.0058    1
    7    4    2    1    0.1128   -0.5998    0.1201   -0.5972    0.0078    1
    8    4   -2    1    0.1444   -0.2274    0.1441   -0.2219    0.0054    1
    9   -1    3    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1    0    0.2317   -0.1312    0.2267   -0.1283    0.0058    1
   11    2    0    0    0.5413   -0.6354    0.5314   -0.6143    0.0234    1
   12   -1    5    1   -0.1460   -0.0761   -0.1815   -0.0378    0.0522    0
   13    4   -6   -1    0.2002   -0.0047    0.1981   -0.0091    0.0049    1
   14    6   -4   -1    0.5464   -0.1459    0.5323   -0.1459    0.0141    1
   15    0    6    1   -0.3336   -0.2435   -0.3358   -0.2354    0.0084    1
   16    2   -4   -1    0.1220    0.0386    0.1256    0.0356    0.0046    1
   17    4   -2   -1    0.7517   -0.0627    0.7260   -0.0804    0.0312    0
   18    7   -1   -1    0.8975   -0.4411    1.0655   -0.4953    0.1765    0
   19    1   -3   -1    0.0371    0.0266    0.0407    0.0272    0.0037    1
   20    2   -2   -1    0.4354    0.1828    0.4436    0.1639    0.0206    1
   21    0    2    1   -0.0363   -0.0648   -0.0357   -0.0605    0.0043    1
   22    1   -1   -1    0.2727    0.3332    0.2970    0.3320    0.0243    0
   23    0    0   -1    0.0280    0.2530    0.0342    0.2676    0.0159    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7300   -0.0543   -0.7289   -0.0565    0.0025    1
    2    1    1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1    1   -1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    2    4    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0    1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    4   -1   -0.1043    0.1165   -0.1046    0.1173    0.0008    1
    7    4    2    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    4   -2    1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    3    0   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    1   -1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0    0    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12   -1    5    1   -0.1437   -0.0711   -0.1815   -0.0378    0.0504    0
   13    4   -6   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    6   -4   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0    6    1   -0.3364   -0.2367   -0.3358   -0.2354    0.0014    1
   16    2   -4   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    4   -2   -1    0.7266   -0.0783    0.7260   -0.0804    0.0021    1
   18    6    0   -1    1.0595   -0.5047    1.0655   -0.4953    0.0112    1
   19    1   -3   -1    0.0426    0.0277    0.0407    0.0272    0.0019    1
   20    2   -2   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    2    1   -0.0348   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -1   -1    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    0    0   -1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.391                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3717    2.2369    0.6922   90.8008  109.6667   90.0265      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3790    2.2481    0.6854   90.0000  109.7358   90.0000      0.0000         2.0121    3.2802
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0623    0.1342    0.0288    0.0000    7.2156    0.0000      0.0000         0.1649    0.3015
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4966   -0.3282    0.4950)
 a2 = (    0.2265    0.3842    0.0313)
 a3 = (   -0.4952    0.2014    1.4381)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4879   -0.3283    0.4976) (    0.0387    0.0141    0.0467)
 a2 = (    0.2254    0.3822    0.0311) (    0.0131    0.0234    0.0024)
 a3 = (   -0.5217    0.1899    1.4473) (    0.0331    0.0320    0.1407)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   83.8184   40.5193 -115.8294    0.4142    4.5957    0.6663
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003    0.0095      0.0033    0.0025    0.1527

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.7683        12.0935
# Chi-squares at the beginning and the end of the refinement
    0.0671    0.0111
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2   -2    6    1    0.0082   -0.2008   -0.0133   -0.1793    0.0304    0
    3    4   -6   -1   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4    0    6    1   -0.1998   -0.5799   -0.1976   -0.5890    0.0093    1
    5   -2    4    1    0.0550   -0.2261    0.0566   -0.2258    0.0016    1
    6    4   -2   -1   -0.1042    0.1173   -0.1046    0.1173    0.0004    1
    7   -1    3    1    0.1107   -0.5960    0.1201   -0.5972    0.0095    1
    8   -2    2    1    0.1423   -0.2235    0.1441   -0.2219    0.0023    1
    9    4    2   -1   -0.1935    0.0492   -0.1940    0.0483    0.0010    1
   10   -2    0    1    0.2260   -0.1302    0.2267   -0.1283    0.0020    1
   11   -1    1    1    0.5249   -0.6267    0.5314   -0.6143    0.0140    1
   12    4    6   -1   -0.1823   -0.0376   -0.1815   -0.0378    0.0008    1
   13   -2   -2    1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -4   -2    3    0.5331   -0.1560    0.5323   -0.1459    0.0101    1
   15    1    3    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2   -4    1    0.1248    0.0354    0.1256    0.0356    0.0009    1
   17   -1   -1    1    0.7379   -0.0880    0.7260   -0.0804    0.0141    1
   18   -2    0    3    1.0655   -0.5418    1.0655   -0.4953    0.0466    0
   19   -5   -7    2    0.0354    0.0045    0.0407    0.0272    0.0234    0
   20   -1   -3    1    0.4461    0.1663    0.4436    0.1639    0.0035    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -6    1    0.2947    0.3344    0.2970    0.3320    0.0033    1
   23    1   -3    0    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7298   -0.0554   -0.7289   -0.0565    0.0014    1
    2   -2    6    1    0.0095   -0.2014   -0.0133   -0.1793    0.0317    0
    3    4   -6   -1   -0.0250    0.0852   -0.0241    0.0824    0.0030    1
    4    0    6    1   -0.1960   -0.5865   -0.1976   -0.5890    0.0030    1
    5   -2    4    1    0.0570   -0.2265    0.0566   -0.2258    0.0008    1
    6    4   -2   -1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1    3    1    0.1197   -0.5970    0.1201   -0.5972    0.0005    1
    8   -2    2    1    0.1447   -0.2227    0.1441   -0.2219    0.0009    1
    9    4    2   -1   -0.1925    0.0484   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1    1    1    0.5346   -0.6138    0.5314   -0.6143    0.0031    1
   12    4    6   -1   -0.1810   -0.0377   -0.1815   -0.0378    0.0005    1
   13   -2   -2    1    0.1980   -0.0087    0.1981   -0.0091    0.0005    1
   14   -4   -2    3    0.5296   -0.1496    0.5323   -0.1459    0.0045    1
   15    1    3    0   -0.3363   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -2   -4    1    0.1253    0.0353    0.1256    0.0356    0.0005    1
   17   -1   -1    1    0.7280   -0.0805    0.7260   -0.0804    0.0020    1
   18   -2    0    3    1.0583   -0.5110    1.0655   -0.4953    0.0173    1
   19   -5   -7    2    0.0365    0.0044    0.0407    0.0272    0.0233    0
   20   -1   -3    1    0.4420    0.1643    0.4436    0.1639    0.0017    1
   21    0    2    0   -0.0351   -0.0601   -0.0357   -0.0605    0.0007    1
   22    0   -6    1    0.2951    0.3306    0.2970    0.3320    0.0024    1
   23    1   -3    0    0.0343    0.2668    0.0342    0.2676    0.0008    1

###            No.392                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3880    2.2381    0.6842   90.4636  109.7108   91.2550      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3707    2.2481    0.6895   90.0000  109.7358   90.0000      0.0000         1.9880    3.2604
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0619    0.3062    0.0865    0.0000    7.2156    0.0000      0.0000         0.1629    0.0687
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2403   -0.1063   -0.7191)
 a2 = (   -0.2264   -0.3841   -0.0313)
 a3 = (   -1.0075    0.6449   -0.9901)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2609   -0.0950   -0.7236) (    0.0281    0.0220    0.0130)
 a2 = (   -0.2254   -0.3822   -0.0311) (    0.0299    0.0528    0.0026)
 a3 = (   -0.9759    0.6567   -0.9952) (    0.1566    0.0806    0.0207)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -94.2853  110.5658 -122.0441    0.4199    2.7883    0.4317
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003    0.0095      0.0033    0.0025    0.1527

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.0472        10.9277
# Chi-squares at the beginning and the end of the refinement
    1.1844    0.0111
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2   -1   -0.7158   -0.0605   -0.7289   -0.0565    0.0137    1
    2   -2   -6    1    0.0082   -0.2008   -0.0133   -0.1793    0.0304    0
    3    1    3   -1   -0.0255    0.0854   -0.0241    0.0824    0.0033    1
    4   -1   -3    0   -0.2008   -0.5759   -0.1976   -0.5890    0.0134    1
    5   -2   -4    1    0.0550   -0.2261    0.0566   -0.2258    0.0016    1
    6    1    1   -1   -0.1050    0.1167   -0.1046    0.1173    0.0007    1
    7   -4   -6    1    0.1076   -0.5951    0.1201   -0.5972    0.0127    1
    8   -2   -2    1    0.1423   -0.2235    0.1441   -0.2219    0.0023    1
    9    1   -1   -1   -0.1931    0.0481   -0.1940    0.0483    0.0010    1
   10   -2    0    1    0.2260   -0.1302    0.2267   -0.1283    0.0020    1
   11   -4   -2    1    0.5203   -0.6310    0.5314   -0.6143    0.0201    1
   12    1   -3   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -2    2    1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -3    1    1    0.5340   -0.1584    0.5323   -0.1459    0.0125    1
   15    0   -6   -1   -0.3337   -0.2341   -0.3358   -0.2354    0.0025    1
   16   -2    4    1    0.1248    0.0354    0.1256    0.0356    0.0009    1
   17   -4    2    1    0.7415   -0.0924    0.7260   -0.0804    0.0196    1
   18   -6    0    1    1.0651   -0.5578    1.0655   -0.4953    0.0625    0
   19   -2    6    1    0.0726    0.0369    0.0407    0.0272    0.0333    0
   20   -4    6    1    0.4486    0.1665    0.4436    0.1639    0.0057    1
   21    0   -2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3    0    0.2963    0.3371    0.2970    0.3320    0.0051    1
   23    0    6   -1    0.0319    0.2681    0.0342    0.2676    0.0023    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2   -1   -0.7298   -0.0554   -0.7289   -0.0565    0.0014    1
    2   -2   -6    1    0.0095   -0.2014   -0.0133   -0.1793    0.0317    0
    3    1    3   -1   -0.0250    0.0852   -0.0241    0.0824    0.0030    1
    4   -1   -3    0   -0.1960   -0.5865   -0.1976   -0.5890    0.0030    1
    5   -2   -4    1    0.0570   -0.2265    0.0566   -0.2258    0.0008    1
    6    1    1   -1   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -4   -6    1    0.1197   -0.5970    0.1201   -0.5972    0.0005    1
    8   -2   -2    1    0.1447   -0.2227    0.1441   -0.2219    0.0009    1
    9    1   -1   -1   -0.1925    0.0484   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -4   -2    1    0.5346   -0.6138    0.5314   -0.6143    0.0031    1
   12    1   -3   -1   -0.1810   -0.0377   -0.1815   -0.0378    0.0005    1
   13   -2    2    1    0.1980   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    1    1    0.5296   -0.1496    0.5323   -0.1459    0.0045    1
   15    0   -6   -1   -0.3363   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -2    4    1    0.1253    0.0353    0.1256    0.0356    0.0005    1
   17   -4    2    1    0.7280   -0.0805    0.7260   -0.0804    0.0020    1
   18   -6    0    1    1.0583   -0.5110    1.0655   -0.4953    0.0173    1
   19   -2    6    1    0.0735    0.0369    0.0407    0.0272    0.0342    0
   20   -4    6    1    0.4420    0.1643    0.4436    0.1639    0.0017    1
   21    0   -2    0   -0.0351   -0.0601   -0.0357   -0.0605    0.0007    1
   22   -1    3    0    0.2951    0.3306    0.2970    0.3320    0.0024    1
   23    0    6   -1    0.0343    0.2668    0.0342    0.2676    0.0008    1

###            No.393                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    2.1065    0.9711    0.9781   89.9504   90.1224   91.5536      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    2.0923    0.9781    0.9773   90.0000   90.3584   90.0000      0.0000         2.1410    1.0009
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0003    0.0406    0.0436    0.0000    1.2120    0.0000      0.0000         0.0955    0.0143
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0756   -0.0834    0.4614)
 a2 = (   -0.8675    0.4911    0.2597)
 a3 = (   -0.5179   -0.8786   -0.0717)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0858   -0.0909    0.4613) (    0.0060    0.0067    0.0009)
 a2 = (   -0.8617    0.4870    0.2562) (    0.0365    0.0229    0.0063)
 a3 = (   -0.5180   -0.8796   -0.0704) (    0.0242    0.0393    0.0058)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   75.4460   94.2905  -30.5851    0.4404    0.9383    0.4483
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0050      0.0024    0.0024    0.0434

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.5884        10.4103
# Chi-squares at the beginning and the end of the refinement
    1.2239    0.0171
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1   -1   -0.7365   -0.0628   -0.7289   -0.0565    0.0098    1
    2    0    2   -4   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3    1   -1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    3    1   -3   -0.1863   -0.5870   -0.1976   -0.5890    0.0115    1
    5    0    2   -2    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    3   -3    1   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7    1    1   -1    0.1256   -0.5895    0.1201   -0.5972    0.0094    1
    8    0    2   -1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    3   -3   -1   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    3   -1    0.5276   -0.5969    0.5314   -0.6143    0.0178    1
   12    1   -1   -1   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13    0    2    1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14    2    4    1    0.4658   -0.1116    0.5323   -0.1459    0.0748    0
   15    3   -1   -3   -0.3345   -0.2394   -0.3358   -0.2354    0.0041    1
   16    0    2    2    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17    3    3    1    0.7127   -0.0849    0.7260   -0.0804    0.0141    1
   18    6    4    0    1.0214   -0.4959    1.0655   -0.4953    0.0441    1
   19    0    2    4    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20    1    1    1    0.4391    0.1578    0.4436    0.1639    0.0075    1
   21    0    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    3    1    3    0.2972    0.3243    0.2970    0.3320    0.0077    1
   23    3   -1    3    0.0360    0.2644    0.0342    0.2676    0.0037    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1   -1   -0.7314   -0.0542   -0.7289   -0.0565    0.0034    1
    2    0    2   -4   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -1    1   -0.0250    0.0849   -0.0241    0.0824    0.0027    1
    4    3    1   -3   -0.1952   -0.5876   -0.1976   -0.5890    0.0028    1
    5    0    2   -2    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    3   -3    1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    1    1   -1    0.1207   -0.5969    0.1201   -0.5972    0.0007    1
    8    0    2   -1    0.1446   -0.2226    0.1441   -0.2219    0.0009    1
    9    3   -3   -1   -0.1924    0.0484   -0.1940    0.0483    0.0016    1
   10    0    2    0    0.2267   -0.1285    0.2267   -0.1283    0.0002    1
   11    3    3   -1    0.5356   -0.6124    0.5314   -0.6143    0.0046    1
   12    1   -1   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    0    2    1    0.1981   -0.0089    0.1981   -0.0091    0.0003    1
   14    2    4    1    0.4718   -0.1107    0.5323   -0.1459    0.0700    0
   15    3   -1   -3   -0.3367   -0.2374   -0.3358   -0.2354    0.0022    1
   16    0    2    2    0.1254    0.0351    0.1256    0.0356    0.0006    1
   17    3    3    1    0.7270   -0.0793    0.7260   -0.0804    0.0014    1
   18    6    4    0    1.0582   -0.5066    1.0655   -0.4953    0.0135    1
   19    0    2    4    0.0424    0.0277    0.0407    0.0272    0.0017    1
   20    1    1    1    0.4412    0.1643    0.4436    0.1639    0.0024    1
   21    0    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22    3    1    3    0.2944    0.3299    0.2970    0.3320    0.0033    1
   23    3   -1    3    0.0344    0.2661    0.0342    0.2676    0.0015    1

###            No.394                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1036    3.3384    0.5434   90.5128   90.7733   87.6192      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1009    3.3122    0.5485   90.0000   90.0489   90.0000      0.0000         2.0071    6.0386
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1257    0.0080    0.0000    0.7866    0.0000      0.0000         0.0293    0.2425
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2147   -0.8573   -0.2040)
 a2 = (   -0.0559    0.0674   -0.2867)
 a3 = (    1.7610    0.4745   -0.2477)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2164   -0.8577   -0.2063) (    0.0082    0.0026    0.0060)
 a2 = (   -0.0551    0.0562   -0.2915) (    0.0037    0.0035    0.0106)
 a3 = (    1.7395    0.4935   -0.2336) (    0.0266    0.0154    0.0105)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.7592   97.3493  105.8866    0.3927    0.3131    0.5526
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0004   -0.0010      0.0023    0.0022    0.0390

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.4084        10.3976
# Chi-squares at the beginning and the end of the refinement
    0.1904    0.0179
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -6    1   -0.7018   -0.0235   -0.7289   -0.0565    0.0427    0
    2   -6    0    1   -0.0145   -0.1726   -0.0133   -0.1793    0.0068    1
    3    1   -1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -4   -6    1   -0.2056   -0.5814   -0.1976   -0.5890    0.0110    1
    5   -2    0    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    4   -6    1   -0.0970    0.1102   -0.1046    0.1173    0.0104    1
    7   -1   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -6    0   -1    0.1443   -0.2210    0.1441   -0.2219    0.0010    1
    9    1   -3    1   -0.1774    0.0484   -0.1940    0.0483    0.0166    1
   10   -2    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -4   -6   -1    0.5426   -0.6056    0.5314   -0.6143    0.0141    1
   12    0   -2    1   -0.1684   -0.0306   -0.1815   -0.0378    0.0150    1
   13   -2    0   -3    0.2010   -0.0102    0.1981   -0.0091    0.0031    1
   14   -2   -4   -2    0.5404   -0.0719    0.5323   -0.1459    0.0745    0
   15   -1   -3    1   -0.3322   -0.2189   -0.3358   -0.2354    0.0169    1
   16    0    0   -1    0.1311    0.0353    0.1256    0.0356    0.0055    1
   17   -1   -3   -1    0.7184   -0.0718    0.7260   -0.0804    0.0115    1
   18   -2   -6   -1    1.0647   -0.4796    1.0655   -0.4953    0.0157    1
   19    2    0   -3    0.0487    0.0315    0.0407    0.0272    0.0090    1
   20    0   -2   -1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21   -2    0    1   -0.0325   -0.0535   -0.0357   -0.0605    0.0077    1
   22    1   -3   -1    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23    4   -6   -1    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -6    1   -0.7282   -0.0554   -0.7289   -0.0565    0.0013    1
    2   -6    0    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -1    0   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4   -4   -6    1   -0.1967   -0.5874   -0.1976   -0.5890    0.0018    1
    5   -2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    4   -6    1   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7   -1   -1    0    0.1206   -0.5979    0.1201   -0.5972    0.0009    1
    8   -6    0   -1    0.1453   -0.2224    0.1441   -0.2219    0.0013    1
    9    1   -3    1   -0.1925    0.0481   -0.1940    0.0483    0.0015    1
   10   -2    0   -1    0.2266   -0.1276    0.2267   -0.1283    0.0007    1
   11   -4   -6   -1    0.5360   -0.6127    0.5314   -0.6143    0.0049    1
   12    0   -2    1   -0.1810   -0.0378   -0.1815   -0.0378    0.0005    1
   13   -2    0   -3    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14   -2   -4   -2    0.5449   -0.0747    0.5323   -0.1459    0.0724    0
   15   -1   -3    1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    0    0   -1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17   -1   -3   -1    0.7264   -0.0797    0.7260   -0.0804    0.0008    1
   18   -2   -6   -1    1.0580   -0.5084    1.0655   -0.4953    0.0151    1
   19    2    0   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0   -2   -1    0.4410    0.1635    0.4436    0.1639    0.0026    1
   21   -2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1   -3   -1    0.2954    0.3299    0.2970    0.3320    0.0027    1
   23    4   -6   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.395                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1031    3.3367    0.5439   90.1974   90.8869   92.3709      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1009    3.3122    0.5485   90.0000   89.9511   90.0000      0.0000         2.0071    6.0386
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.1257    0.0080    0.0000    0.7866    0.0000      0.0000         0.0293    0.2425
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2148   -0.8577   -0.2041)
 a2 = (    0.0559   -0.0674    0.2869)
 a3 = (   -1.7485   -0.5221    0.2257)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2164   -0.8577   -0.2063) (    0.0082    0.0026    0.0060)
 a2 = (    0.0551   -0.0562    0.2915) (    0.0037    0.0035    0.0106)
 a3 = (   -1.7395   -0.4935    0.2336) (    0.0266    0.0154    0.0105)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -13.2408   82.6507  -74.1134    0.3927    0.3131    0.5526
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0004   -0.0010      0.0023    0.0022    0.0390

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2451        10.3976
# Chi-squares at the beginning and the end of the refinement
    0.2271    0.0179
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    6   -1   -0.7154   -0.0404   -0.7289   -0.0565    0.0210    1
    2   -6    0   -1   -0.0142   -0.1751   -0.0133   -0.1793    0.0043    1
    3    1    1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -4    6   -1   -0.2009   -0.5823   -0.1976   -0.5890    0.0075    1
    5   -2    0    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    4    6   -1   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7   -1    1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -6    0    1    0.1439   -0.2191    0.1441   -0.2219    0.0028    1
    9    1    3   -1   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10   -2    0    1    0.2239   -0.1226    0.2267   -0.1283    0.0064    1
   11   -4    6    1    0.5492   -0.6052    0.5314   -0.6143    0.0200    1
   12    0    2   -1   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13   -2    0    3    0.1911   -0.0050    0.1981   -0.0091    0.0081    1
   14   -3    5    2    0.5906   -0.1823    0.5323   -0.1459    0.0687    0
   15   -1    3   -1   -0.3334   -0.2308   -0.3358   -0.2354    0.0052    1
   16    0    0    1    0.1185    0.0354    0.1256    0.0356    0.0071    1
   17   -1    3    1    0.7147   -0.0531    0.7260   -0.0804    0.0295    1
   18   -2    6    1    1.0802   -0.4623    1.0655   -0.4953    0.0361    1
   19    2    0    3    0.0381    0.0260    0.0407    0.0272    0.0029    1
   20    0    2    1    0.4207    0.1689    0.4436    0.1639    0.0234    0
   21   -2    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    3    1    0.2759    0.3195    0.2970    0.3320    0.0245    0
   23    4    6    1    0.0325    0.2553    0.0342    0.2676    0.0124    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    6   -1   -0.7282   -0.0554   -0.7289   -0.0565    0.0013    1
    2   -6    0   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    1    0   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4   -4    6   -1   -0.1967   -0.5874   -0.1976   -0.5890    0.0018    1
    5   -2    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    4    6   -1   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7   -1    1    0    0.1206   -0.5979    0.1201   -0.5972    0.0009    1
    8   -6    0    1    0.1453   -0.2224    0.1441   -0.2219    0.0013    1
    9    1    3   -1   -0.1925    0.0481   -0.1940    0.0483    0.0015    1
   10   -2    0    1    0.2266   -0.1276    0.2267   -0.1283    0.0007    1
   11   -4    6    1    0.5360   -0.6127    0.5314   -0.6143    0.0049    1
   12    0    2   -1   -0.1810   -0.0378   -0.1815   -0.0378    0.0005    1
   13   -2    0    3    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14   -2    4    2    0.5449   -0.0747    0.5323   -0.1459    0.0724    0
   15   -1    3   -1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    0    0    1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17   -1    3    1    0.7264   -0.0797    0.7260   -0.0804    0.0008    1
   18   -2    6    1    1.0580   -0.5084    1.0655   -0.4953    0.0151    1
   19    2    0    3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    2    1    0.4410    0.1635    0.4436    0.1639    0.0026    1
   21   -2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    3    1    0.2954    0.3299    0.2970    0.3320    0.0027    1
   23    4    6    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.396                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2189    3.3414    0.5509   97.2882  116.0240   86.3204      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1508    3.8244    0.5125   90.0000  117.5388   90.0000      0.0000         2.2455    7.4622
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0077    0.1949    0.0074    0.0000    0.7315    0.0000      0.0000         0.0295    0.3542
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8736   -0.2346    0.1235)
 a2 = (   -0.0559    0.0675   -0.2887)
 a3 = (   -0.4997   -1.8835   -0.5771)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9370   -0.2677    0.1034) (    0.0025    0.0091    0.0056)
 a2 = (   -0.0474    0.0705   -0.2473) (    0.0041    0.0062    0.0116)
 a3 = (   -0.5243   -2.0797   -0.4922) (    0.0187    0.0296    0.0225)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  173.6320  107.8955   13.9771    0.3623    0.6888    0.6109
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0009   -0.0014   -0.2825      0.0023    0.0023    0.0620

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         7.3753         8.0577
# Chi-squares at the beginning and the end of the refinement
   19.1921    0.1216
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    0   -0.7125   -0.0220   -0.7289   -0.0565    0.0382    0
    2    1    3   -3   -0.0142   -0.1748   -0.0133   -0.1793    0.0046    1
    3   -1   -3    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    0   -2   -1   -0.2057   -0.5883   -0.1976   -0.5890    0.0082    1
    5    1    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -4    1   -0.0973    0.1114   -0.1046    0.1173    0.0093    1
    7    1   -1   -1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8    5    3   -3    0.1447   -0.2229    0.1441   -0.2219    0.0011    1
    9   -5   -7    1   -0.1802    0.0500   -0.1940    0.0483    0.0140    1
   10    3    1   -1    0.2278   -0.1305    0.2267   -0.1283    0.0025    1
   11    2   -2   -1    0.5439   -0.6126    0.5314   -0.6143    0.0126    1
   12   -1   -1    0   -0.1722   -0.0310   -0.1815   -0.0378    0.0116    1
   13    7    1   -1    0.2026   -0.0110    0.1981   -0.0091    0.0049    1
   14    4   -2   -1    0.5299   -0.1489    0.5323   -0.1459    0.0038    1
   15   -3   -5   -1   -0.3375   -0.2234   -0.3358   -0.2354    0.0122    1
   16    2    0    0    0.1318    0.0354    0.1256    0.0356    0.0062    1
   17    5   -5   -1    0.7272   -0.0756    0.7260   -0.0804    0.0049    1
   18    3   -5   -1    1.0737   -0.4911    1.0655   -0.4953    0.0092    1
   19    5   -1    1    0.0481    0.0312    0.0407    0.0272    0.0084    1
   20    1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1    1   -1   -0.0334   -0.0553   -0.0357   -0.0605    0.0057    1
   22    3   -7    1    0.2946    0.3303    0.2970    0.3320    0.0029    1
   23    0   -4    1    0.0338    0.2640    0.0342    0.2676    0.0036    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    0   -0.7575   -0.0408   -0.7289   -0.0565    0.0326    0
    2    1    3   -3   -0.0147   -0.1742   -0.0133   -0.1793    0.0053    1
    3   -1   -3    1   -0.0246    0.0848   -0.0241    0.0824    0.0024    1
    4    0   -2   -1   -0.1901   -0.5938   -0.1976   -0.5890    0.0089    1
    5    1    1   -1    0.0538   -0.2253    0.0566   -0.2258    0.0028    1
    6   -2   -4    1   -0.1013    0.1177   -0.1046    0.1173    0.0033    1
    7    1   -1   -1    0.1238   -0.5960    0.1201   -0.5972    0.0039    1
    8    5    3   -3    0.1414   -0.2249    0.1441   -0.2219    0.0040    1
    9   -5   -7    1   -0.1925    0.0512   -0.1940    0.0483    0.0033    1
   10    3    1   -1    0.2279   -0.1335    0.2267   -0.1283    0.0053    1
   11    2   -2   -1    0.5411   -0.6076    0.5314   -0.6143    0.0117    1
   12   -1   -1    0   -0.1811   -0.0375   -0.1815   -0.0378    0.0005    1
   13    7    1   -1    0.2030   -0.0107    0.1981   -0.0091    0.0051    1
   14    4   -2   -1    0.5321   -0.1493    0.5323   -0.1459    0.0034    1
   15   -3   -5   -1   -0.3400   -0.2416   -0.3358   -0.2354    0.0075    1
   16    2    0    0    0.1300    0.0360    0.1256    0.0356    0.0044    1
   17    5   -5   -1    0.7260   -0.0735    0.7260   -0.0804    0.0069    1
   18    3   -5   -1    1.0593   -0.4795    1.0655   -0.4953    0.0169    1
   19    5   -1    1    0.0455    0.0300    0.0407    0.0272    0.0055    1
   20    1   -1    0    0.4409    0.1665    0.4436    0.1639    0.0038    1
   21   -1    1   -1   -0.0336   -0.0573   -0.0357   -0.0605    0.0038    1
   22    3   -7    1    0.2913    0.3271    0.2970    0.3320    0.0075    1
   23    0   -4    1    0.0366    0.2632    0.0342    0.2676    0.0051    1

###            No.397                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2251    3.3290    0.5489   97.3052  115.7329   87.3707      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1229    3.8735    0.5101   90.0000  115.6627   90.0000      0.0000         2.2011    7.5929
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0070    0.1480    0.0072    0.0000    0.7480    0.0000      0.0000         0.0263    0.2684
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8607   -0.2586    0.1162)
 a2 = (    0.0561   -0.0677    0.2898)
 a3 = (   -1.2361    1.3965    0.8193)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9438   -0.2734    0.1037) (    0.0024    0.0080    0.0046)
 a2 = (    0.0467   -0.0684    0.2445) (    0.0032    0.0043    0.0087)
 a3 = (   -1.3589    1.5499    0.6934) (    0.0192    0.0252    0.0218)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    6.3214   72.3437 -165.7677    0.2937    0.5044    0.4815
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0011   -0.0018   -0.3018      0.0023    0.0023    0.0461

# Number of computed bands
            349            387
# Figure of merit at the beginning and the end of the refinement
         7.5890         7.8838
# Chi-squares at the beginning and the end of the refinement
   17.9956    0.1619
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    0   -0.7299   -0.0393   -0.7289   -0.0565    0.0172    1
    2   -5   -3    3   -0.0132   -0.1763   -0.0133   -0.1793    0.0030    1
    3    1    3   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -2    2    1   -0.1981   -0.5895   -0.1976   -0.5890    0.0007    1
    5   -1   -1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    4   -1   -0.1010    0.1153   -0.1046    0.1173    0.0041    1
    7   -1    1    1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8   -1   -3    3    0.1445   -0.2229    0.1441   -0.2219    0.0010    1
    9   -3    7   -1   -0.1915    0.0498   -0.1940    0.0483    0.0029    1
   10    1   -1    1    0.2283   -0.1279    0.2267   -0.1283    0.0017    1
   11    0    2    1    0.5510   -0.6183    0.5314   -0.6143    0.0200    1
   12   -1    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    5   -1    1    0.1982   -0.0061    0.1981   -0.0091    0.0030    1
   14    2    2    1    0.5366   -0.1403    0.5323   -0.1459    0.0071    1
   15   -5    5    1   -0.3376   -0.2371   -0.3358   -0.2354    0.0025    1
   16    2    0    0    0.1238    0.0372    0.1256    0.0356    0.0024    1
   17    3    5    1    0.7351   -0.0586    0.7260   -0.0804    0.0235    1
   18    1    5    1    1.0999   -0.4841    1.0655   -0.4953    0.0362    1
   19    7    1   -1    0.0405    0.0280    0.0407    0.0272    0.0008    1
   20    1    1    0    0.4333    0.1757    0.4436    0.1639    0.0157    1
   21   -3   -1    1   -0.0350   -0.0607   -0.0357   -0.0605    0.0007    1
   22    5    7   -1    0.2790    0.3300    0.2970    0.3320    0.0181    1
   23    2    4   -1    0.0308    0.2583    0.0342    0.2676    0.0100    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    0   -0.7547   -0.0491   -0.7289   -0.0565    0.0268    1
    2   -5   -3    3   -0.0150   -0.1739   -0.0133   -0.1793    0.0057    1
    3    1    3   -1   -0.0246    0.0841   -0.0241    0.0824    0.0018    1
    4   -2    2    1   -0.1879   -0.5902   -0.1976   -0.5890    0.0098    1
    5   -1   -1    1    0.0536   -0.2259    0.0566   -0.2258    0.0030    1
    6    0    4   -1   -0.1014    0.1165   -0.1046    0.1173    0.0034    1
    7   -1    1    1    0.1233   -0.5945    0.1201   -0.5972    0.0042    1
    8   -1   -3    3    0.1419   -0.2260    0.1441   -0.2219    0.0045    1
    9   -3    7   -1   -0.1913    0.0491   -0.1940    0.0483    0.0028    1
   10    1   -1    1    0.2295   -0.1338    0.2267   -0.1283    0.0061    1
   11    0    2    1    0.5402   -0.6062    0.5314   -0.6143    0.0119    1
   12   -1    1    0   -0.1786   -0.0385   -0.1815   -0.0378    0.0030    1
   13    5   -1    1    0.2041   -0.0102    0.1981   -0.0091    0.0061    1
   14    2    2    1    0.5324   -0.1483    0.5323   -0.1459    0.0024    1
   15   -5    5    1   -0.3357   -0.2415   -0.3358   -0.2354    0.0061    1
   16    2    0    0    0.1308    0.0364    0.1256    0.0356    0.0053    1
   17    3    5    1    0.7246   -0.0728    0.7260   -0.0804    0.0077    1
   18    1    5    1    1.0543   -0.4783    1.0655   -0.4953    0.0203    1
   19    7    1   -1    0.0463    0.0304    0.0407    0.0272    0.0064    1
   20    1    1    0    0.4400    0.1664    0.4436    0.1639    0.0043    1
   21   -3   -1    1   -0.0332   -0.0566   -0.0357   -0.0605    0.0046    1
   22    5    7   -1    0.2915    0.3259    0.2970    0.3320    0.0083    1
   23    2    4   -1    0.0370    0.2629    0.0342    0.2676    0.0056    1

###            No.398                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5116    1.4595    0.9557   89.5497  108.4515   90.2858      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5171    1.4513    0.9567   90.0000  108.2844   90.0000      0.0000         1.5858    1.5171
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0071    0.0594    0.0143    0.0000    0.8101    0.0000      0.0000         0.0212    0.0660
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1650    0.6589    0.1581)
 a2 = (    0.1204   -0.1269    0.6625)
 a3 = (    0.9157    0.6125   -0.0567)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1659    0.6554    0.1576) (    0.0064    0.0020    0.0048)
 a2 = (    0.1256   -0.1282    0.6652) (    0.0091    0.0086    0.0261)
 a3 = (    0.9145    0.6105   -0.0549) (    0.0157    0.0089    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2348   97.3299  105.9205    0.4176    0.3376    0.5606
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0006   -0.0002   -0.0068      0.0023    0.0023    0.0414

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.9915         7.1184
# Chi-squares at the beginning and the end of the refinement
    0.1815    0.0551
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    2   -0.7233   -0.0569   -0.7289   -0.0565    0.0056    1
    2    4    0    1   -0.0139   -0.1761   -0.0133   -0.1793    0.0032    1
    3   -3    1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    5    3    2   -0.1918   -0.5804   -0.1976   -0.5890    0.0103    1
    5    2    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -7    3    2   -0.1011    0.1138   -0.1046    0.1173    0.0049    1
    7    3    1    0    0.1196   -0.5903    0.1201   -0.5972    0.0068    1
    8    6    0   -1    0.1295   -0.2270    0.1441   -0.2219    0.0154    1
    9   -5    3    4   -0.1880    0.0475   -0.1940    0.0483    0.0061    1
   10    2    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    7    3   -2    0.5286   -0.6053    0.5314   -0.6143    0.0094    1
   12   -1    1    2   -0.1771   -0.0367   -0.1815   -0.0378    0.0046    1
   13    2    0   -2    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    3    1   -2    0.5246   -0.1486    0.5323   -0.1459    0.0081    1
   15    1    3    4   -0.3315   -0.2344   -0.3358   -0.2354    0.0044    1
   16    2    0   -4    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    5    3   -4    0.7191   -0.0808    0.7260   -0.0804    0.0070    1
   18    6    4   -3    0.9305   -0.4597    1.0655   -0.4953    0.1395    0
   19    0    0   -1    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    1    1   -2    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21    2    0    2   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22   -1    3   -4    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23   -5    3   -2    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    2   -0.7289   -0.0558   -0.7289   -0.0565    0.0007    1
    2    4    0    1   -0.0132   -0.1784   -0.0133   -0.1793    0.0009    1
    3   -3    1    0   -0.0247    0.0848   -0.0241    0.0824    0.0024    1
    4    5    3    2   -0.1963   -0.5888   -0.1976   -0.5890    0.0013    1
    5    2    0    0    0.0582   -0.2277    0.0566   -0.2258    0.0026    1
    6   -7    3    2   -0.1038    0.1161   -0.1046    0.1173    0.0014    1
    7    3    1    0    0.1218   -0.5991    0.1201   -0.5972    0.0026    1
    8    6    0   -1    0.1317   -0.2281    0.1441   -0.2219    0.0139    1
    9   -5    3    4   -0.1918    0.0481   -0.1940    0.0483    0.0023    1
   10    2    0   -1    0.2279   -0.1279    0.2267   -0.1283    0.0013    1
   11    7    3   -2    0.5376   -0.6130    0.5314   -0.6143    0.0063    1
   12   -1    1    2   -0.1805   -0.0375   -0.1815   -0.0378    0.0010    1
   13    2    0   -2    0.1984   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    1   -2    0.5299   -0.1486    0.5323   -0.1459    0.0036    1
   15    1    3    4   -0.3367   -0.2367   -0.3358   -0.2354    0.0016    1
   16    2    0   -4    0.1256    0.0353    0.1256    0.0356    0.0004    1
   17    5    3   -4    0.7276   -0.0798    0.7260   -0.0804    0.0016    1
   18    6    4   -3    0.9462   -0.4642    1.0655   -0.4953    0.1233    0
   19    0    0   -1    0.0424    0.0278    0.0407    0.0272    0.0018    1
   20    1    1   -2    0.4422    0.1637    0.4436    0.1639    0.0014    1
   21    2    0    2   -0.0352   -0.0607   -0.0357   -0.0605    0.0005    1
   22   -1    3   -4    0.2963    0.3303    0.2970    0.3320    0.0018    1
   23   -5    3   -2    0.0347    0.2671    0.0342    0.2676    0.0007    1

###            No.399                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8554    1.8126    1.3586   90.8089  108.2552   88.8119      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8556    1.8228    1.3533   90.0000  108.6323   90.0000      0.0000         0.6323    1.3469
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0041    0.0730    0.0178    0.0000    0.8140    0.0000      0.0000         0.0080    0.0509
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9185   -0.8198    0.0112)
 a2 = (    0.1021   -0.0929    0.5343)
 a3 = (   -0.6527    0.3695    0.1954)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9225   -0.8184    0.0165) (    0.0078    0.0088    0.0060)
 a2 = (    0.1001   -0.1022    0.5296) (    0.0069    0.0066    0.0204)
 a3 = (   -0.6579    0.3701    0.1957) (    0.0086    0.0078    0.0063)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    0.7934   74.9086 -138.6279    0.2865    0.4251    0.5651
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0004   -0.0010      0.0023    0.0022    0.0390

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.2159         6.0122
# Chi-squares at the beginning and the end of the refinement
    0.3589    0.0179
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3   -1   -0.7375   -0.0675   -0.7289   -0.0565    0.0139    1
    2   -4    0    5   -0.0145   -0.1807   -0.0133   -0.1793    0.0018    1
    3    1    1   -2   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -1    1    1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -2    0    4    0.0569   -0.2294    0.0566   -0.2258    0.0036    1
    6    1    3   -5   -0.1075    0.1195   -0.1046    0.1173    0.0036    1
    7   -1    1    2    0.1167   -0.6007    0.1201   -0.5972    0.0049    1
    8   -2    0    7    0.1451   -0.2245    0.1441   -0.2219    0.0028    1
    9   -1    3   -4   -0.1993    0.0487   -0.1940    0.0483    0.0053    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    5    0.5310   -0.6221    0.5314   -0.6143    0.0079    1
   12   -1    1   -1   -0.1873   -0.0400   -0.1815   -0.0378    0.0062    1
   13    2    0    5    0.1956   -0.0080    0.1981   -0.0091    0.0028    1
   14    1    3    5    0.6444   -0.1246    0.5323   -0.1459    0.1142    0
   15   -1    1    0   -0.3400   -0.2422   -0.3358   -0.2354    0.0080    1
   16    2    0    2    0.1215    0.0348    0.1256    0.0356    0.0042    1
   17    1    3    4    0.7331   -0.0864    0.7260   -0.0804    0.0093    1
   18    0    2    2    1.0581   -0.5317    1.0655   -0.4953    0.0371    1
   19    4    0    1    0.0382    0.0257    0.0407    0.0272    0.0030    1
   20    1    1    1    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21   -2    0    1   -0.0377   -0.0639   -0.0357   -0.0605    0.0039    1
   22    1    1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    1   -1    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3   -1   -0.7282   -0.0554   -0.7289   -0.0565    0.0013    1
    2   -4    0    5   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    1   -2   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4   -1    1    1   -0.1967   -0.5874   -0.1976   -0.5890    0.0018    1
    5   -2    0    4    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1    3   -5   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7   -1    1    2    0.1206   -0.5979    0.1201   -0.5972    0.0009    1
    8   -2    0    7    0.1453   -0.2224    0.1441   -0.2219    0.0013    1
    9   -1    3   -4   -0.1925    0.0481   -0.1940    0.0483    0.0015    1
   10    0    0    1    0.2266   -0.1276    0.2267   -0.1283    0.0007    1
   11   -1    3    5    0.5360   -0.6127    0.5314   -0.6143    0.0049    1
   12   -1    1   -1   -0.1810   -0.0378   -0.1815   -0.0378    0.0005    1
   13    2    0    4    0.1825    0.0060    0.1981   -0.0091    0.0217    0
   14    1    3    5    0.6396   -0.1189    0.5323   -0.1459    0.1106    0
   15   -1    1    0   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    2    0    2    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17    1    3    4    0.7264   -0.0797    0.7260   -0.0804    0.0008    1
   18    0    2    2    1.0580   -0.5084    1.0655   -0.4953    0.0151    1
   19    3    1   -2    0.0203    0.0484    0.0407    0.0272    0.0294    0
   20    1    1    1    0.4410    0.1635    0.4436    0.1639    0.0026    1
   21   -2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    1    0    0.2954    0.3299    0.2970    0.3320    0.0027    1
   23    1    1   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.400                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8546    1.8178    1.3553   90.7371  108.1739   88.7496      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8556    1.8228    1.3504   90.0000  108.2667   90.0000      0.0000         0.6336    1.3498
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0037    0.0709    0.0201    0.0000    0.7608    0.0000      0.0000         0.0086    0.0531
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2694   -1.1893   -0.1740)
 a2 = (   -0.0929    0.1094   -0.5312)
 a3 = (    0.6540   -0.3702   -0.1958)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2646   -1.1885   -0.1792) (    0.0113    0.0025    0.0069)
 a2 = (   -0.1001    0.1022   -0.5296) (    0.0067    0.0064    0.0198)
 a3 = (    0.6579   -0.3701   -0.1957) (    0.0109    0.0061    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -171.4218  102.4880   79.3166    0.3376    0.3778    0.5696
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0004   -0.0010      0.0023    0.0022    0.0390

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.4765         6.0122
# Chi-squares at the beginning and the end of the refinement
    0.2792    0.0179
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    2   -0.7383   -0.0479   -0.7289   -0.0565    0.0127    1
    2   -4    0   -1   -0.0143   -0.1727   -0.0133   -0.1793    0.0067    1
    3    1   -1    1   -0.0256    0.0894   -0.0241    0.0824    0.0072    1
    4   -1   -1    0   -0.1969   -0.5870   -0.1976   -0.5890    0.0021    1
    5   -2    0   -2    0.0551   -0.2235    0.0566   -0.2258    0.0027    1
    6    1   -3    4   -0.1052    0.1202   -0.1046    0.1173    0.0030    1
    7   -1   -1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -2    0   -5    0.1429   -0.2214    0.1441   -0.2219    0.0013    1
    9   -1   -3    5   -0.1936    0.0502   -0.1940    0.0483    0.0019    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -3   -4    0.5404   -0.6120    0.5314   -0.6143    0.0092    1
   12   -1   -1    2   -0.1803   -0.0366   -0.1815   -0.0378    0.0017    1
   13    2    0   -7    0.1995   -0.0083    0.1981   -0.0091    0.0016    1
   14    1   -3   -6    0.6420   -0.1154    0.5323   -0.1459    0.1138    0
   15   -1   -1    1   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16    2    0   -4    0.1276    0.0363    0.1256    0.0356    0.0021    1
   17    1   -3   -5    0.7280   -0.0745    0.7260   -0.0804    0.0062    1
   18    0   -2   -2    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19    4    0   -5    0.0450    0.0301    0.0407    0.0272    0.0051    1
   20    1   -1   -2    0.4419    0.1662    0.4436    0.1639    0.0029    1
   21   -2    0    1   -0.0333   -0.0560   -0.0357   -0.0605    0.0051    1
   22    1   -1   -1    0.2960    0.3309    0.2970    0.3320    0.0015    1
   23    1   -1    0    0.0367    0.2701    0.0342    0.2676    0.0035    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    2   -0.7282   -0.0554   -0.7289   -0.0565    0.0013    1
    2   -4    0   -1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -1    1   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -1    0   -0.1967   -0.5874   -0.1976   -0.5890    0.0018    1
    5   -2    0   -2    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1   -3    4   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7   -1   -1   -1    0.1206   -0.5979    0.1201   -0.5972    0.0009    1
    8   -2    0   -5    0.1453   -0.2224    0.1441   -0.2219    0.0013    1
    9   -1   -3    5   -0.1925    0.0481   -0.1940    0.0483    0.0015    1
   10    0    0   -1    0.2266   -0.1276    0.2267   -0.1283    0.0007    1
   11   -1   -3   -4    0.5360   -0.6127    0.5314   -0.6143    0.0049    1
   12   -1   -1    2   -0.1810   -0.0378   -0.1815   -0.0378    0.0005    1
   13    2    0   -6    0.1825    0.0060    0.1981   -0.0091    0.0217    0
   14    1   -3   -6    0.6396   -0.1189    0.5323   -0.1459    0.1106    0
   15   -1   -1    1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    2    0   -4    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17    1   -3   -5    0.7264   -0.0797    0.7260   -0.0804    0.0008    1
   18    0   -2   -2    1.0580   -0.5084    1.0655   -0.4953    0.0151    1
   19    3   -1   -1    0.0203    0.0484    0.0407    0.0272    0.0294    0
   20    1   -1   -2    0.4410    0.1635    0.4436    0.1639    0.0026    1
   21   -2    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1   -1   -1    0.2954    0.3299    0.2970    0.3320    0.0027    1
   23    1   -1    0    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.401                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8549    1.8192    1.3543   90.3470  108.2578   89.1811      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8556    1.8228    1.3504   90.0000  108.2667   90.0000      0.0000         0.6336    1.3498
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0037    0.0709    0.0201    0.0000    0.7608    0.0000      0.0000         0.0086    0.0531
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2687    1.1886    0.1803)
 a2 = (   -0.1052    0.0969   -0.5308)
 a3 = (   -0.6548    0.3707    0.1960)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2646    1.1885    0.1792) (    0.0113    0.0025    0.0069)
 a2 = (   -0.1001    0.1022   -0.5296) (    0.0067    0.0064    0.0198)
 a3 = (   -0.6579    0.3701    0.1957) (    0.0109    0.0061    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  171.4218   77.5120 -100.6834    0.3376    0.3778    0.5696
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0004   -0.0010      0.0023    0.0022    0.0390

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.4618         6.0122
# Chi-squares at the beginning and the end of the refinement
    0.1030    0.0179
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3   -2   -0.7242   -0.0599   -0.7289   -0.0565    0.0058    1
    2    4    0    1   -0.0146   -0.1778   -0.0133   -0.1793    0.0020    1
    3   -1   -1   -1   -0.0254    0.0858   -0.0241    0.0824    0.0036    1
    4    1   -1    0   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    2    0    2    0.0563   -0.2274    0.0566   -0.2258    0.0016    1
    6   -1   -3   -4   -0.1055    0.1172   -0.1046    0.1173    0.0008    1
    7    1   -1    1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    2    0    5    0.1445   -0.2234    0.1441   -0.2219    0.0015    1
    9    1   -3   -5   -0.1936    0.0479   -0.1940    0.0483    0.0006    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3    4    0.5304   -0.6206    0.5314   -0.6143    0.0064    1
   12    1   -1   -2   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13   -2    0    7    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -1   -3    6    0.6431   -0.1234    0.5323   -0.1459    0.1131    0
   15    1   -1   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    0    4    0.1242    0.0352    0.1256    0.0356    0.0015    1
   17   -1   -3    5    0.7315   -0.0848    0.7260   -0.0804    0.0071    1
   18    0   -2    2    1.0595   -0.5279    1.0655   -0.4953    0.0332    1
   19   -4    0    5    0.0412    0.0275    0.0407    0.0272    0.0005    1
   20   -1   -1    2    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    2    0   -1   -0.0360   -0.0606   -0.0357   -0.0605    0.0004    1
   22   -1   -1    1    0.2969    0.3319    0.2970    0.3320    0.0002    1
   23   -1   -1    0    0.0341    0.2683    0.0342    0.2676    0.0007    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3   -2   -0.7282   -0.0554   -0.7289   -0.0565    0.0013    1
    2    4    0    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1   -1   -1   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4    1   -1    0   -0.1967   -0.5874   -0.1976   -0.5890    0.0018    1
    5    2    0    2    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1   -3   -4   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7    1   -1    1    0.1206   -0.5979    0.1201   -0.5972    0.0009    1
    8    2    0    5    0.1453   -0.2224    0.1441   -0.2219    0.0013    1
    9    1   -3   -5   -0.1925    0.0481   -0.1940    0.0483    0.0015    1
   10    0    0    1    0.2266   -0.1276    0.2267   -0.1283    0.0007    1
   11    1   -3    4    0.5360   -0.6127    0.5314   -0.6143    0.0049    1
   12    1   -1   -2   -0.1810   -0.0378   -0.1815   -0.0378    0.0005    1
   13   -2    0    6    0.1825    0.0060    0.1981   -0.0091    0.0217    0
   14   -1   -3    6    0.6396   -0.1189    0.5323   -0.1459    0.1106    0
   15    1   -1   -1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16   -2    0    4    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17   -1   -3    5    0.7264   -0.0797    0.7260   -0.0804    0.0008    1
   18    0   -2    2    1.0580   -0.5084    1.0655   -0.4953    0.0151    1
   19   -3   -1    1    0.0203    0.0484    0.0407    0.0272    0.0294    0
   20   -1   -1    2    0.4410    0.1635    0.4436    0.1639    0.0026    1
   21    2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1   -1    1    0.2954    0.3299    0.2970    0.3320    0.0027    1
   23   -1   -1    0    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.404                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8554    1.8186    1.3549   90.4291  108.3718   89.0900      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8556    1.8228    1.3533   90.0000  108.6323   90.0000      0.0000         0.6323    1.3469
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0041    0.0730    0.0178    0.0000    0.8140    0.0000      0.0000         0.0080    0.0509
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9193    0.8200   -0.0198)
 a2 = (    0.0984   -0.1094    0.5299)
 a3 = (    0.6549   -0.3708   -0.1960)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9225    0.8184   -0.0165) (    0.0078    0.0088    0.0060)
 a2 = (    0.1001   -0.1022    0.5296) (    0.0069    0.0066    0.0204)
 a3 = (    0.6579   -0.3701   -0.1957) (    0.0086    0.0078    0.0063)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -0.7934  105.0914   41.3721    0.2865    0.4251    0.5651
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0004   -0.0010      0.0023    0.0022    0.0390

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.8013         6.0122
# Chi-squares at the beginning and the end of the refinement
    0.1287    0.0179
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    1   -0.7318   -0.0474   -0.7289   -0.0565    0.0095    1
    2    4    0   -5   -0.0137   -0.1745   -0.0133   -0.1793    0.0049    1
    3   -1    1    2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1    1   -1   -0.1969   -0.5870   -0.1976   -0.5890    0.0021    1
    5    2    0   -4    0.0561   -0.2244    0.0566   -0.2258    0.0014    1
    6   -1    3    5   -0.1040    0.1178   -0.1046    0.1173    0.0008    1
    7    1    1   -2    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    2    0   -7    0.1436   -0.2216    0.1441   -0.2219    0.0006    1
    9    1    3    4   -0.1921    0.0497   -0.1940    0.0483    0.0024    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3   -5    0.5390   -0.6138    0.5314   -0.6143    0.0076    1
   12    1    1    1   -0.1803   -0.0366   -0.1815   -0.0378    0.0017    1
   13   -2    0   -5    0.1991   -0.0083    0.1981   -0.0091    0.0012    1
   14   -1    3   -5    0.6432   -0.1164    0.5323   -0.1459    0.1148    0
   15    1    1    0   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16   -2    0   -2    0.1268    0.0362    0.1256    0.0356    0.0013    1
   17   -1    3   -4    0.7302   -0.0754    0.7260   -0.0804    0.0065    1
   18    0    2   -2    1.0687   -0.5021    1.0655   -0.4953    0.0075    1
   19   -4    0   -1    0.0438    0.0294    0.0407    0.0272    0.0037    1
   20   -1    1   -1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    2    0   -1   -0.0340   -0.0578   -0.0357   -0.0605    0.0032    1
   22   -1    1    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1    1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    1   -0.7282   -0.0554   -0.7289   -0.0565    0.0013    1
    2    4    0   -5   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -1    1    2   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4    1    1   -1   -0.1967   -0.5874   -0.1976   -0.5890    0.0018    1
    5    2    0   -4    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -1    3    5   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7    1    1   -2    0.1206   -0.5979    0.1201   -0.5972    0.0009    1
    8    2    0   -7    0.1453   -0.2224    0.1441   -0.2219    0.0013    1
    9    1    3    4   -0.1925    0.0481   -0.1940    0.0483    0.0015    1
   10    0    0   -1    0.2266   -0.1276    0.2267   -0.1283    0.0007    1
   11    1    3   -5    0.5360   -0.6127    0.5314   -0.6143    0.0049    1
   12    1    1    1   -0.1810   -0.0378   -0.1815   -0.0378    0.0005    1
   13   -2    0   -4    0.1825    0.0060    0.1981   -0.0091    0.0217    0
   14   -1    3   -5    0.6396   -0.1189    0.5323   -0.1459    0.1106    0
   15    1    1    0   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16   -2    0   -2    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17   -1    3   -4    0.7264   -0.0797    0.7260   -0.0804    0.0008    1
   18    0    2   -2    1.0580   -0.5084    1.0655   -0.4953    0.0151    1
   19   -3    1    2    0.0203    0.0484    0.0407    0.0272    0.0294    0
   20   -1    1   -1    0.4410    0.1635    0.4436    0.1639    0.0026    1
   21    2    0   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    1    0    0.2954    0.3299    0.2970    0.3320    0.0027    1
   23   -1    1    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.405                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8550    2.5787    0.9999   89.9524  114.8709   90.3505      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8590    2.5715    1.0009   90.0000  115.2314   90.0000      0.0000         0.8582    2.5692
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0072    0.0489    0.0160    0.0000    1.0172    0.0000      0.0000         0.0142    0.0511
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4738    0.7721    0.9172)
 a2 = (    0.1160   -0.3090    0.2036)
 a3 = (    1.0516    0.2983   -0.1427)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4788    0.7731    0.9107) (    0.0160    0.0076    0.0092)
 a2 = (    0.1157   -0.3108    0.2030) (    0.0042    0.0069    0.0031)
 a3 = (    1.0536    0.2992   -0.1425) (    0.0185    0.0087    0.0077)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   53.5787  118.4325   91.0653    0.5592    0.6365    0.7707
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0007   -0.0008      0.0036    0.0024    0.0200

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.2630         5.8342
# Chi-squares at the beginning and the end of the refinement
    0.0536    0.0176
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    1   -0.7351   -0.0563   -0.7289   -0.0565    0.0062    1
    2    1   -3    0   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -1    7    1   -0.0572    0.1085   -0.0241    0.0824    0.0421    0
    4    1   -1    0   -0.1969   -0.5949   -0.1976   -0.5890    0.0060    1
    5    2   -6   -1    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6   -1    7    1   -0.0572    0.1085   -0.1046    0.1173    0.0483    0
    7    4   -6   -2    0.1254   -0.6027    0.1201   -0.5972    0.0076    1
    8    1   -3   -1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    0    2    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -3   -2    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11    1   -1   -1    0.5430   -0.6126    0.5314   -0.6143    0.0116    1
   12    1    3    4   -0.1826   -0.0377   -0.1815   -0.0378    0.0010    1
   13    1   -3   -5    0.1984   -0.0080    0.1981   -0.0091    0.0011    1
   14    1   -1   -2    0.5314   -0.1475    0.5323   -0.1459    0.0018    1
   15    2    0    2   -0.3402   -0.2387   -0.3358   -0.2354    0.0055    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    0   -4    0.7296   -0.0786    0.7260   -0.0804    0.0040    1
   18    4    0   -5    1.0633   -0.5050    1.0655   -0.4953    0.0100    1
   19   -1    3   -4    0.0422    0.0282    0.0407    0.0272    0.0018    1
   20    1    3   -5    0.4441    0.1648    0.4436    0.1639    0.0011    1
   21    1   -3    1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22    0    2   -1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1    7   -1    0.0423    0.1920    0.0342    0.2676    0.0761    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    1   -0.7295   -0.0549   -0.7289   -0.0565    0.0017    1
    2    1   -3    0   -0.0137   -0.1766   -0.0133   -0.1793    0.0028    1
    3   -1    7    1   -0.0572    0.1085   -0.0241    0.0824    0.0421    0
    4    1   -1    0   -0.1969   -0.5881   -0.1976   -0.5890    0.0011    1
    5    2   -6   -1    0.0571   -0.2259    0.0566   -0.2258    0.0006    1
    6   -1    7    1   -0.0572    0.1085   -0.1046    0.1173    0.0482    0
    7    4   -6   -2    0.1213   -0.5981    0.1201   -0.5972    0.0015    1
    8    1   -3   -1    0.1448   -0.2217    0.1441   -0.2219    0.0007    1
    9    0    2    1   -0.1932    0.0478   -0.1940    0.0483    0.0010    1
   10    1   -3   -2    0.2260   -0.1274    0.2267   -0.1283    0.0011    1
   11    1   -1   -1    0.5376   -0.6118    0.5314   -0.6143    0.0066    1
   12    1    3    4   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    1   -3   -5    0.1972   -0.0087    0.1981   -0.0091    0.0010    1
   14    1   -1   -2    0.5285   -0.1479    0.5323   -0.1459    0.0042    1
   15    2    0    2   -0.3369   -0.2363   -0.3358   -0.2354    0.0015    1
   16    0    0   -1    0.1252    0.0349    0.1256    0.0356    0.0008    1
   17    2    0   -4    0.7264   -0.0786    0.7260   -0.0804    0.0018    1
   18    4    0   -5    1.0596   -0.5053    1.0655   -0.4953    0.0117    1
   19   -1    3   -4    0.0426    0.0279    0.0407    0.0272    0.0020    1
   20    1    3   -5    0.4415    0.1639    0.4436    0.1639    0.0020    1
   21    1   -3    1   -0.0349   -0.0595   -0.0357   -0.0605    0.0013    1
   22    0    2   -1    0.2961    0.3311    0.2970    0.3320    0.0012    1
   23   -1    7   -1    0.0425    0.1911    0.0342    0.2676    0.0770    0

###            No.406                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8220    2.6511    1.0010   91.6069  113.4039   91.0658      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8590    2.5715    1.0033   90.0000  115.5233   90.0000      0.0000         0.8561    2.5630
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0058    0.0529    0.0209    0.0000    0.8090    0.0000      0.0000         0.0168    0.0527
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5898   -0.5081   -1.0739)
 a2 = (   -0.1045    0.2945   -0.2119)
 a3 = (    1.0307    0.3296   -0.1253)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5748   -0.4740   -1.0532) (    0.0125    0.0102    0.0073)
 a2 = (   -0.1157    0.3108   -0.2030) (    0.0043    0.0074    0.0033)
 a3 = (    1.0536    0.2992   -0.1425) (    0.0214    0.0106    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -122.5998   75.7122  119.3907    0.5152    0.5792    0.4799
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0007   -0.0008      0.0036    0.0024    0.0200

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.5104         5.8342
# Chi-squares at the beginning and the end of the refinement
    2.3304    0.0176
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    2   -0.7971   -0.1267   -0.7289   -0.0565    0.0979    0
    2   -1    3    1   -0.0134   -0.1809   -0.0133   -0.1793    0.0016    1
    3    1   -5   -1   -0.0017    0.0479   -0.0241    0.0824    0.0412    0
    4   -1    1    1   -0.1776   -0.5979   -0.1976   -0.5890    0.0219    1
    5   -2    6    1    0.0567   -0.2272    0.0566   -0.2258    0.0015    1
    6    1   -7    0   -0.0648    0.1259   -0.1046    0.1173    0.0408    0
    7   -4    6    2    0.1237   -0.5964    0.1201   -0.5972    0.0037    1
    8   -1    3    0    0.1438   -0.2216    0.1441   -0.2219    0.0004    1
    9    0   -2    1   -0.2306    0.0483   -0.1940    0.0483    0.0366    0
   10   -1    3   -1    0.2239   -0.1229    0.2267   -0.1283    0.0061    1
   11   -1    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1   -3    5   -0.2079   -0.0543   -0.1815   -0.0378    0.0311    0
   13   -1    3   -3    0.2017   -0.0203    0.1981   -0.0091    0.0118    1
   14   -1    1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -2    0    4   -0.3434   -0.2724   -0.3358   -0.2354    0.0378    0
   16    0    0   -1    0.1103    0.0353    0.1256    0.0356    0.0153    1
   17   -2    0   -2    0.7311   -0.0805    0.7260   -0.0804    0.0051    1
   18   -4    0   -1    1.0413   -0.5230    1.0655   -0.4953    0.0368    1
   19    1   -3   -5    0.0293    0.0209    0.0407    0.0272    0.0131    1
   20   -1   -3   -4    0.4376    0.1685    0.4436    0.1639    0.0076    1
   21   -1    3    2   -0.0392   -0.0694   -0.0357   -0.0605    0.0095    1
   22    0   -2   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -7   -2    0.0445    0.1941    0.0342    0.2676    0.0742    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    2   -0.7295   -0.0549   -0.7289   -0.0565    0.0017    1
    2   -1    3    1   -0.0137   -0.1766   -0.0133   -0.1793    0.0028    1
    3    1   -7    0   -0.0572    0.1085   -0.0241    0.0824    0.0421    0
    4   -1    1    1   -0.1969   -0.5881   -0.1976   -0.5890    0.0011    1
    5   -2    6    1    0.0571   -0.2259    0.0566   -0.2258    0.0006    1
    6    1   -7    0   -0.0572    0.1085   -0.1046    0.1173    0.0482    0
    7   -4    6    2    0.1213   -0.5981    0.1201   -0.5972    0.0015    1
    8   -1    3    0    0.1448   -0.2217    0.1441   -0.2219    0.0007    1
    9    0   -2    1   -0.1932    0.0478   -0.1940    0.0483    0.0010    1
   10   -1    3   -1    0.2260   -0.1274    0.2267   -0.1283    0.0011    1
   11   -1    1    0    0.5376   -0.6118    0.5314   -0.6143    0.0066    1
   12   -1   -3    5   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -1    3   -4    0.1972   -0.0087    0.1981   -0.0091    0.0010    1
   14   -1    1   -1    0.5285   -0.1479    0.5323   -0.1459    0.0042    1
   15   -2    0    4   -0.3369   -0.2363   -0.3358   -0.2354    0.0015    1
   16    0    0   -1    0.1252    0.0349    0.1256    0.0356    0.0008    1
   17   -2    0   -2    0.7264   -0.0786    0.7260   -0.0804    0.0018    1
   18   -4    0   -1    1.0596   -0.5053    1.0655   -0.4953    0.0117    1
   19    1   -3   -5    0.0426    0.0279    0.0407    0.0272    0.0020    1
   20   -1   -3   -4    0.4415    0.1639    0.4436    0.1639    0.0020    1
   21   -1    3    2   -0.0349   -0.0595   -0.0357   -0.0605    0.0013    1
   22    0   -2   -1    0.2961    0.3311    0.2970    0.3320    0.0012    1
   23    1   -7   -2    0.0425    0.1911    0.0342    0.2676    0.0770    0

###            No.407                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8753    2.5679    0.9884   89.6658  115.7899   90.9213      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8590    2.5715    1.0033   90.0000  115.5233   90.0000      0.0000         0.8561    2.5630
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0058    0.0529    0.0209    0.0000    0.8090    0.0000      0.0000         0.0168    0.0527
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5580    0.4691    1.0387)
 a2 = (   -0.1190    0.3134   -0.1983)
 a3 = (   -1.0701   -0.3035    0.1594)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5748    0.4740    1.0532) (    0.0125    0.0102    0.0073)
 a2 = (   -0.1157    0.3108   -0.2030) (    0.0043    0.0074    0.0033)
 a3 = (   -1.0536   -0.2992    0.1425) (    0.0214    0.0106    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  122.5998  104.2878  -60.6093    0.5152    0.5792    0.4799
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0007   -0.0008      0.0036    0.0024    0.0200

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.7752         5.8342
# Chi-squares at the beginning and the end of the refinement
    0.4288    0.0176
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3   -2   -0.6747   -0.0473   -0.7289   -0.0565    0.0549    0
    2    1    3   -1   -0.0149   -0.1647   -0.0133   -0.1793    0.0147    1
    3   -1   -7    0   -0.0538    0.1031   -0.0241    0.0824    0.0362    0
    4    1    1   -1   -0.2007   -0.5544   -0.1976   -0.5890    0.0347    0
    5    2    6   -1    0.0536   -0.2202    0.0566   -0.2258    0.0063    1
    6   -1   -7    0   -0.0538    0.1031   -0.1046    0.1173    0.0528    0
    7    4    6   -2    0.1083   -0.5864    0.1201   -0.5972    0.0160    1
    8    1    3    0    0.1438   -0.2216    0.1441   -0.2219    0.0004    1
    9    0   -2   -1   -0.1709    0.0422   -0.1940    0.0483    0.0240    0
   10    1    3    1    0.2319   -0.1292    0.2267   -0.1283    0.0053    1
   11    1    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1   -3   -5   -0.1560   -0.0317   -0.1815   -0.0378    0.0263    0
   13    1    3    4    0.2079   -0.0078    0.1981   -0.0091    0.0098    1
   14    1    1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    2    0   -4   -0.3111   -0.2116   -0.3358   -0.2354    0.0343    0
   16    0    0    1    0.1379    0.0391    0.1256    0.0356    0.0128    1
   17    2    0    2    0.7284   -0.0741    0.7260   -0.0804    0.0067    1
   18    4    0    1    1.0649   -0.5072    1.0655   -0.4953    0.0120    1
   19   -1   -3    4    0.0358    0.0279    0.0407    0.0272    0.0050    1
   20    1   -3    4    0.4440    0.1670    0.4436    0.1639    0.0032    1
   21    1    3   -2   -0.0275   -0.0453   -0.0357   -0.0605    0.0173    1
   22    0   -2    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -7    2    0.0445    0.1941    0.0342    0.2676    0.0742    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -3   -2   -0.7295   -0.0549   -0.7289   -0.0565    0.0017    1
    2    1    3   -1   -0.0137   -0.1766   -0.0133   -0.1793    0.0028    1
    3   -1   -7    0   -0.0572    0.1085   -0.0241    0.0824    0.0421    0
    4    1    1   -1   -0.1969   -0.5881   -0.1976   -0.5890    0.0011    1
    5    2    6   -1    0.0571   -0.2259    0.0566   -0.2258    0.0006    1
    6   -1   -7    0   -0.0572    0.1085   -0.1046    0.1173    0.0482    0
    7    4    6   -2    0.1213   -0.5981    0.1201   -0.5972    0.0015    1
    8    1    3    0    0.1448   -0.2217    0.1441   -0.2219    0.0007    1
    9    0   -2   -1   -0.1932    0.0478   -0.1940    0.0483    0.0010    1
   10    1    3    1    0.2260   -0.1274    0.2267   -0.1283    0.0011    1
   11    1    1    0    0.5376   -0.6118    0.5314   -0.6143    0.0066    1
   12    1   -3   -5   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    1    3    4    0.1972   -0.0087    0.1981   -0.0091    0.0010    1
   14    1    1    1    0.5285   -0.1479    0.5323   -0.1459    0.0042    1
   15    2    0   -4   -0.3369   -0.2363   -0.3358   -0.2354    0.0015    1
   16    0    0    1    0.1252    0.0349    0.1256    0.0356    0.0008    1
   17    2    0    2    0.7264   -0.0786    0.7260   -0.0804    0.0018    1
   18    4    0    1    1.0596   -0.5053    1.0655   -0.4953    0.0117    1
   19   -1   -3    5    0.0426    0.0279    0.0407    0.0272    0.0020    1
   20    1   -3    4    0.4415    0.1639    0.4436    0.1639    0.0020    1
   21    1    3   -2   -0.0349   -0.0595   -0.0357   -0.0605    0.0013    1
   22    0   -2    1    0.2961    0.3311    0.2970    0.3320    0.0012    1
   23   -1   -7    2    0.0425    0.1911    0.0342    0.2676    0.0770    0

###            No.411                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0908    1.7783    1.0967   90.3439  109.8995   90.8008      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0903    1.7844    1.0910   90.0000  109.5621   90.0000      0.0000         0.9994    1.6356
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0070    0.0365    0.0191    0.0000    1.0338    0.0000      0.0000         0.0167    0.0298
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7854   -0.0792   -0.5725)
 a2 = (   -0.1580    0.4516   -0.2956)
 a3 = (    0.7332    0.5140    0.3723)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7803   -0.0858   -0.5755) (    0.0053    0.0090    0.0067)
 a2 = (   -0.1667    0.4478   -0.2928) (    0.0058    0.0106    0.0043)
 a3 = (    0.7363    0.5165    0.3705) (    0.0139    0.0111    0.0087)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -131.4722   52.0981  138.9241    0.5316    0.5616    0.5659
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0004    0.0014      0.0027    0.0024    0.0160

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.0062         5.7777
# Chi-squares at the beginning and the end of the refinement
    0.1434    0.0086
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    2   -0.7458   -0.0522   -0.7289   -0.0565    0.0174    1
    2   -1    3    2   -0.0146   -0.1735   -0.0133   -0.1793    0.0059    1
    3    2   -6   -1   -0.0313    0.0593   -0.0241    0.0824    0.0242    0
    4   -1    1    2   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -2    4    2    0.0548   -0.2228    0.0566   -0.2258    0.0034    1
    6    1   -3    0   -0.1087    0.1237   -0.1046    0.1173    0.0076    1
    7   -1    1    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -4    6    2    0.1418   -0.2192    0.1441   -0.2219    0.0035    1
    9    2   -4    2   -0.2001    0.0511   -0.1940    0.0483    0.0066    1
   10   -1    1    0    0.2229   -0.1254    0.2267   -0.1283    0.0048    1
   11   -4    2    2    0.5394   -0.6091    0.5314   -0.6143    0.0095    1
   12    1   -1    2   -0.1862   -0.0384   -0.1815   -0.0378    0.0047    1
   13   -4    2   -2    0.1935   -0.0075    0.1981   -0.0091    0.0049    1
   14   -3    1    0    0.5260   -0.1442    0.5323   -0.1459    0.0065    1
   15    0    0    1   -0.3405   -0.2387   -0.3358   -0.2354    0.0057    1
   16   -2    0   -2    0.1218    0.0349    0.1256    0.0356    0.0038    1
   17   -2    0    0    0.7216   -0.0728    0.7260   -0.0804    0.0088    1
   18   -4    0    1    0.9879   -0.3408    1.0655   -0.4953    0.1728    0
   19   -1   -1   -2    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20   -4   -2   -2    0.4361    0.1640    0.4436    0.1639    0.0075    1
   21    0    2    2   -0.0349   -0.0586   -0.0357   -0.0605    0.0020    1
   22   -2   -4   -2    0.2940    0.3272    0.2970    0.3320    0.0057    1
   23    0   -6   -2    0.0375    0.2701    0.0342    0.2676    0.0041    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    2   -0.7291   -0.0559   -0.7289   -0.0565    0.0006    1
    2   -1    3    2   -0.0136   -0.1770   -0.0133   -0.1793    0.0024    1
    3    2   -6   -1   -0.0290    0.0535   -0.0241    0.0824    0.0293    0
    4   -1    1    2   -0.1966   -0.5869   -0.1976   -0.5890    0.0023    1
    5   -2    4    2    0.0571   -0.2263    0.0566   -0.2258    0.0007    1
    6    1   -3    0   -0.1051    0.1171   -0.1046    0.1173    0.0005    1
    7   -1    1    1    0.1200   -0.5975    0.1201   -0.5972    0.0003    1
    8   -4    6    2    0.1448   -0.2222    0.1441   -0.2219    0.0007    1
    9    2   -4    2   -0.1931    0.0482   -0.1940    0.0483    0.0009    1
   10   -1    1    0    0.2264   -0.1278    0.2267   -0.1283    0.0006    1
   11   -4    2    2    0.5352   -0.6137    0.5314   -0.6143    0.0038    1
   12    1   -1    2   -0.1813   -0.0378   -0.1815   -0.0378    0.0003    1
   13   -4    2   -2    0.1974   -0.0086    0.1981   -0.0091    0.0008    1
   14   -3    1    0    0.5292   -0.1492    0.5323   -0.1459    0.0045    1
   15    0    0    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16   -2    0   -2    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17   -2    0    0    0.7278   -0.0804    0.7260   -0.0804    0.0018    1
   18   -4    0    1    0.9904   -0.3574    1.0655   -0.4953    0.1570    0
   19   -1   -1   -2    0.0423    0.0278    0.0407    0.0272    0.0016    1
   20   -4   -2   -2    0.4421    0.1640    0.4436    0.1639    0.0015    1
   21    0    2    2   -0.0351   -0.0600   -0.0357   -0.0605    0.0008    1
   22   -2   -4   -2    0.2959    0.3311    0.2970    0.3320    0.0014    1
   23    0   -6   -2    0.0342    0.2680    0.0342    0.2676    0.0004    1

###            No.412                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5507    1.5533    0.9176   90.4625  115.1919   90.0285      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5533    1.5552    0.9154   90.0000  115.2555   90.0000      0.0000         1.6968    1.6989
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0260    0.0292    0.0263    0.0000    2.0350    0.0000      0.0000         0.0631    0.0605
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3801    0.4989    0.3384)
 a2 = (   -0.5422    0.3069    0.1623)
 a3 = (    0.2116   -0.2192    1.1652)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3816    0.4976    0.3369) (    0.0033    0.0090    0.0122)
 a2 = (   -0.5419    0.3061    0.1617) (    0.0107    0.0075    0.0045)
 a3 = (    0.2222   -0.2227    1.1661) (    0.0240    0.0227    0.0417)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   62.0165   32.4090   -5.2988    0.5326    1.2464    0.6916
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0001   -0.0010      0.0025    0.0031    0.0475

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7387         5.5756
# Chi-squares at the beginning and the end of the refinement
    0.0528    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2   -2    1   -0.7333   -0.0588   -0.7289   -0.0565    0.0049    1
    2    4    2   -1   -0.0143   -0.1802   -0.0133   -0.1793    0.0014    1
    3   -2   -2    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    3    1    0   -0.1950   -0.5882   -0.1976   -0.5890    0.0027    1
    5    4    4   -1    0.0572   -0.2290    0.0566   -0.2258    0.0033    1
    6   -1   -3    1   -0.1030    0.1158   -0.1046    0.1173    0.0022    1
    7    1    1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    4    6   -1    0.1117   -0.2330    0.1441   -0.2219    0.0342    0
    9    2   -6    1   -0.1933    0.0486   -0.1940    0.0483    0.0008    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    6    1    0.5322   -0.6113    0.5314   -0.6143    0.0031    1
   12    1   -1    0   -0.1830   -0.0381   -0.1815   -0.0378    0.0015    1
   13   -4    6    1    0.1710    0.0140    0.1981   -0.0091    0.0356    0
   14   -1    5    1    0.5266   -0.1494    0.5323   -0.1459    0.0066    1
   15    3   -1    0   -0.3379   -0.2390   -0.3358   -0.2354    0.0042    1
   16   -4    4    1    0.1226    0.0348    0.1256    0.0356    0.0031    1
   17   -1    3    1    0.7227   -0.0816    0.7260   -0.0804    0.0036    1
   18    0    6    2    0.9372   -0.4647    1.0655   -0.4953    0.1319    0
   19   -4    2    1    0.0393    0.0263    0.0407    0.0272    0.0017    1
   20   -2    2    1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21    4    0   -1   -0.0373   -0.0630   -0.0357   -0.0605    0.0030    1
   22   -6    2    3    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23   -6   -2    3    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2   -2    1   -0.7288   -0.0564   -0.7289   -0.0565    0.0002    1
    2    4    2   -1   -0.0134   -0.1777   -0.0133   -0.1793    0.0016    1
    3   -2   -2    1   -0.0247    0.0851   -0.0241    0.0824    0.0027    1
    4    3    1    0   -0.1961   -0.5864   -0.1976   -0.5890    0.0030    1
    5    4    4   -1    0.0575   -0.2268    0.0566   -0.2258    0.0013    1
    6   -1   -3    1   -0.1040    0.1169   -0.1046    0.1173    0.0008    1
    7    1    1    0    0.1196   -0.5971    0.1201   -0.5972    0.0005    1
    8    4    6   -1    0.1117   -0.2311    0.1441   -0.2219    0.0337    0
    9    2   -6    1   -0.1928    0.0487   -0.1940    0.0483    0.0013    1
   10    0    2    0    0.2270   -0.1278    0.2267   -0.1283    0.0006    1
   11    2    6    1    0.5343   -0.6145    0.5314   -0.6143    0.0029    1
   12    1   -1    0   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -4    6    1    0.1726    0.0144    0.1981   -0.0091    0.0347    0
   14   -1    5    1    0.5298   -0.1493    0.5323   -0.1459    0.0042    1
   15    3   -1    0   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16   -4    4    1    0.1246    0.0355    0.1256    0.0356    0.0010    1
   17   -1    3    1    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18    0    6    2    0.9460   -0.4684    1.0655   -0.4953    0.1224    0
   19   -4    2    1    0.0415    0.0277    0.0407    0.0272    0.0009    1
   20   -2    2    1    0.4417    0.1647    0.4436    0.1639    0.0020    1
   21    4    0   -1   -0.0354   -0.0608   -0.0357   -0.0605    0.0004    1
   22   -6    2    3    0.2947    0.3308    0.2970    0.3320    0.0026    1
   23   -6   -2    3    0.0342    0.2666    0.0342    0.2676    0.0011    1

###            No.414                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    2.0998    0.9765    0.9755   89.9506   90.5625   90.3101      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    2.0392    0.9913    0.9896   90.0000   91.2075   90.0000      0.0000         2.0607    1.0018
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0027    0.1062    0.1022    0.0000    3.5568    0.0000      0.0000         0.2104    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0820    0.0889   -0.4606)
 a2 = (    0.5188    0.8801    0.0718)
 a3 = (    0.8633   -0.4888   -0.2584)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0845    0.0895   -0.4748) (    0.0151    0.0065    0.0038)
 a2 = (    0.5113    0.8666    0.0722) (    0.0536    0.0941    0.0057)
 a3 = (    0.8499   -0.4795   -0.2636) (    0.0928    0.0542    0.0072)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -85.7684  103.9158   60.4778    0.3408    1.9176    0.4006
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0373      0.0024    0.0024    0.1110

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         7.8512         5.2775
# Chi-squares at the beginning and the end of the refinement
    0.0885    0.0164
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3    1    1   -0.7299   -0.0559   -0.7289   -0.0565    0.0011    1
    2    0    2   -1   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3   -1   -1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -3    3   -1   -0.1920   -0.5853   -0.1976   -0.5890    0.0067    1
    5    0    2   -2    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6   -3   -1    3   -0.1016    0.1146   -0.1046    0.1173    0.0041    1
    7   -1    1   -1    0.1216   -0.5929    0.1201   -0.5972    0.0045    1
    8    0    2   -4    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9   -3    1    3   -0.1899    0.0483   -0.1940    0.0483    0.0041    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3    1   -3    0.5314   -0.6055    0.5314   -0.6143    0.0088    1
   12   -1    1    1   -0.1795   -0.0371   -0.1815   -0.0378    0.0022    1
   13    0   -2   -4    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14   -3   -1   -4    0.6008   -0.1303    0.5323   -0.1459    0.0702    0
   15   -3    3    1   -0.3348   -0.2368   -0.3358   -0.2354    0.0016    1
   16    0   -2   -2    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17   -3   -1   -3    0.7195   -0.0803    0.7260   -0.0804    0.0065    1
   18   -6    0   -4    1.0422   -0.5003    1.0655   -0.4953    0.0238    1
   19    0   -2   -1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20   -1   -1   -1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3   -3   -1    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23   -3   -3    1    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3    1    1   -0.7310   -0.0543   -0.7289   -0.0565    0.0030    1
    2    0    2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -1    1   -0.0251    0.0851   -0.0241    0.0824    0.0029    1
    4   -3    3   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0    2   -2    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -3   -1    3   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -1    1   -1    0.1208   -0.5973    0.1201   -0.5972    0.0007    1
    8    0    2   -4    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -3    1    3   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -3    1   -3    0.5362   -0.6122    0.5314   -0.6143    0.0052    1
   12   -1    1    1   -0.1809   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0   -2   -4    0.1980   -0.0088    0.1981   -0.0091    0.0003    1
   14   -3   -1   -4    0.6060   -0.1303    0.5323   -0.1459    0.0754    0
   15   -3    3    1   -0.3366   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0   -2   -2    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -3   -1   -3    0.7267   -0.0791    0.7260   -0.0804    0.0014    1
   18   -4    0   -3    0.9456   -0.4625    1.0655   -0.4953    0.1243    0
   19    0   -2   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1   -1    0.4411    0.1640    0.4436    0.1639    0.0024    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -3   -3   -1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -3   -3    1    0.0345    0.2665    0.0342    0.2676    0.0012    1

###            No.415                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5227    1.4516    0.9545   89.9883  108.5500   90.5754      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5168    1.4491    0.9593   90.0000  108.4744   90.0000      0.0000         1.5811    1.5106
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0069    0.0652    0.0153    0.0000    0.7810    0.0000      0.0000         0.0246    0.0638
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6602    0.1913   -0.0863)
 a2 = (   -0.1174    0.1310   -0.6661)
 a3 = (    0.0802    1.0847    0.1956)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6632    0.1882   -0.0891) (    0.0018    0.0063    0.0043)
 a2 = (   -0.1259    0.1282   -0.6663) (    0.0098    0.0091    0.0288)
 a3 = (    0.0846    1.0789    0.1916) (    0.0101    0.0167    0.0079)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4391   76.9013 -165.8800    0.3722    0.4184    0.5485
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0002   -0.0038      0.0023    0.0028    0.0425

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.8240         5.1146
# Chi-squares at the beginning and the end of the refinement
    0.0634    0.0071
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2    0    0    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1   -1   -2   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -3    4   -0.1902   -0.5900   -0.1976   -0.5890    0.0075    1
    5   -2    0    4    0.0573   -0.2269    0.0566   -0.2258    0.0013    1
    6    5   -3   -4   -0.1031    0.1168   -0.1046    0.1173    0.0016    1
    7   -1   -1    2    0.1229   -0.5937    0.1201   -0.5972    0.0045    1
    8   -2    0    2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    7   -3   -2   -0.1958    0.0498   -0.1940    0.0483    0.0022    1
   10   -2    0    1    0.2248   -0.1273    0.2267   -0.1283    0.0022    1
   11   -5   -3    4    0.5328   -0.6061    0.5314   -0.6143    0.0083    1
   12    3   -1    0   -0.1858   -0.0392   -0.1815   -0.0378    0.0045    1
   13   -6    0    1    0.1838    0.0030    0.1981   -0.0091    0.0188    0
   14   -3   -1    1    0.6012   -0.1281    0.5323   -0.1459    0.0712    0
   15    5   -3    2   -0.3392   -0.2431   -0.3358   -0.2354    0.0084    1
   16   -2    0    0    0.1206    0.0349    0.1256    0.0356    0.0051    1
   17   -7   -3    2    0.7204   -0.0767    0.7260   -0.0804    0.0067    1
   18   -6   -4    3    0.9373   -0.4562    1.0655   -0.4953    0.1340    0
   19   -4    0   -1    0.0376    0.0256    0.0407    0.0272    0.0036    1
   20   -3   -1    0    0.4343    0.1643    0.4436    0.1639    0.0093    1
   21    2    0    2   -0.0372   -0.0641   -0.0357   -0.0605    0.0038    1
   22   -5   -3   -2    0.2875    0.3253    0.2970    0.3320    0.0116    1
   23   -1   -3   -4    0.0333    0.2603    0.0342    0.2676    0.0074    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7297   -0.0557   -0.7289   -0.0565    0.0011    1
    2    0    0    1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    1   -1   -2   -0.0249    0.0852   -0.0241    0.0824    0.0029    1
    4    1   -3    4   -0.1960   -0.5866   -0.1976   -0.5890    0.0028    1
    5   -2    0    4    0.0571   -0.2267    0.0566   -0.2258    0.0011    1
    6    5   -3   -4   -0.1041    0.1168   -0.1046    0.1173    0.0008    1
    7   -1   -1    2    0.1197   -0.5970    0.1201   -0.5972    0.0005    1
    8   -2    0    2    0.1449   -0.2227    0.1441   -0.2219    0.0011    1
    9    7   -3   -2   -0.1926    0.0485   -0.1940    0.0483    0.0014    1
   10   -2    0    1    0.2268   -0.1283    0.2267   -0.1283    0.0001    1
   11   -5   -3    4    0.5341   -0.6140    0.5314   -0.6143    0.0027    1
   12    3   -1    0   -0.1813   -0.0377   -0.1815   -0.0378    0.0003    1
   13   -6    0    1    0.1875    0.0022    0.1981   -0.0091    0.0156    1
   14   -3   -1    1    0.6066   -0.1318    0.5323   -0.1459    0.0757    0
   15    5   -3    2   -0.3366   -0.2369   -0.3358   -0.2354    0.0017    1
   16   -2    0    0    0.1251    0.0352    0.1256    0.0356    0.0006    1
   17   -7   -3    2    0.7280   -0.0812    0.7260   -0.0804    0.0022    1
   18   -6   -4    3    0.9449   -0.4677    1.0655   -0.4953    0.1237    0
   19   -4    0   -1    0.0421    0.0277    0.0407    0.0272    0.0014    1
   20   -3   -1    0    0.4421    0.1640    0.4436    0.1639    0.0015    1
   21    2    0    2   -0.0352   -0.0604   -0.0357   -0.0605    0.0005    1
   22   -5   -3   -2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1   -3   -4    0.0344    0.2668    0.0342    0.2676    0.0009    1

###            No.416                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9987    2.0023    1.1178   89.9426  116.5143   90.3300      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0040    2.0120    1.1134   90.0000  117.2264   90.0000      0.0000         0.9017    1.8071
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0077    0.0909    0.0174    0.0000    0.8572    0.0000      0.0000         0.0124    0.0912
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7138   -0.8104   -0.2933)
 a2 = (   -0.0904    0.0910   -0.4827)
 a3 = (    0.9538    0.2705   -0.1294)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7246   -0.8038   -0.2890) (    0.0089    0.0079    0.0084)
 a2 = (   -0.0912    0.0904   -0.4801) (    0.0069    0.0063    0.0209)
 a3 = (    0.9637    0.2721   -0.1318) (    0.0134    0.0100    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -165.0442   90.8010  132.2452    0.4430    0.2976    0.6013
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0033   -0.0004   -0.0116      0.0031    0.0029    0.0488

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.1794         4.9953
# Chi-squares at the beginning and the end of the refinement
    0.2312    0.1184
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    1   -0.7324   -0.0571   -0.7289   -0.0565    0.0035    1
    2   -4    0    3   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3    5   -3   -3   -0.0132    0.0694   -0.0241    0.0824    0.0169    1
    4   -1   -1    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0    1    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6    1   -1    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -5   -3    2    0.1792   -0.5571    0.1201   -0.5972    0.0714    0
    8   -4    0    1    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9    2   -4    3   -0.1932    0.0488   -0.1940    0.0483    0.0009    1
   10   -2    0   -1    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11   -1   -1    0    0.5338   -0.6161    0.5314   -0.6143    0.0030    1
   12    0   -2    3   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13   -2    0   -3    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14   -1   -1   -1    0.5311   -0.1512    0.5323   -0.1459    0.0054    1
   15   -2   -4    5   -0.3375   -0.2378   -0.3358   -0.2354    0.0030    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -4   -3    0.7305   -0.0828    0.7260   -0.0804    0.0051    1
   18   -2   -4   -1    1.0582   -0.5168    1.0655   -0.4953    0.0227    1
   19    3   -1   -5    0.0295    0.0451    0.0407    0.0272    0.0211    0
   20    0   -2   -3    0.4440    0.1646    0.4436    0.1639    0.0008    1
   21   -2    0    3   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -4   -5    0.2964    0.3320    0.2970    0.3320    0.0006    1
   23    1   -1   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    1   -0.7299   -0.0583   -0.7289   -0.0565    0.0020    1
    2   -4    0    3   -0.0029   -0.1913   -0.0133   -0.1793    0.0158    1
    3    5   -3   -3   -0.0179    0.0741   -0.0241    0.0824    0.0104    1
    4   -1   -1    1   -0.2004   -0.5885   -0.1976   -0.5890    0.0028    1
    5   -2    0    1    0.0549   -0.2256    0.0566   -0.2258    0.0017    1
    6    1   -1    0   -0.1109    0.1176   -0.1046    0.1173    0.0063    1
    7   -5   -3    2    0.1812   -0.5573    0.1201   -0.5972    0.0729    0
    8   -4    0    1    0.1228   -0.2276    0.1441   -0.2219    0.0221    0
    9    2   -4    3   -0.1953    0.0466   -0.1940    0.0483    0.0021    1
   10   -2    0   -1    0.2246   -0.1265    0.2267   -0.1283    0.0028    1
   11   -1   -1    0    0.5382   -0.6103    0.5314   -0.6143    0.0079    1
   12    0   -2    3   -0.1816   -0.0373   -0.1815   -0.0378    0.0005    1
   13   -2    0   -3    0.2163   -0.0404    0.1981   -0.0091    0.0362    0
   14   -1   -1   -1    0.5269   -0.1469    0.5323   -0.1459    0.0055    1
   15   -2   -4    5   -0.3383   -0.2343   -0.3358   -0.2354    0.0028    1
   16    0    0   -1    0.1249    0.0358    0.1256    0.0356    0.0008    1
   17   -2   -4   -3    0.7246   -0.0790    0.7260   -0.0804    0.0019    1
   18   -2   -4   -1    1.0564   -0.5042    1.0655   -0.4953    0.0128    1
   19    3   -1   -5    0.0295    0.0491    0.0407    0.0272    0.0246    0
   20    0   -2   -3    0.4426    0.1637    0.4436    0.1639    0.0010    1
   21   -2    0    3   -0.0368   -0.0567   -0.0357   -0.0605    0.0040    1
   22    2   -4   -5    0.2991    0.3347    0.2970    0.3320    0.0034    1
   23    1   -1   -1    0.0317    0.2752    0.0342    0.2676    0.0079    1

###            No.417                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3777    2.2321    0.6878   90.0487  108.9780   90.6966      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3932    2.2786    0.6780   90.0000  111.6772   90.0000      0.0000         2.0549    3.3608
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0542    0.1140    0.0199    0.0000    5.6099    0.0000      0.0000         0.1261    0.2274
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4852    0.3377   -0.4897)
 a2 = (    0.2270    0.3850    0.0314)
 a3 = (    0.5266   -0.1845   -1.4327)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4787    0.3254   -0.5114) (    0.0309    0.0116    0.0358)
 a2 = (    0.2225    0.3770    0.0316) (    0.0108    0.0194    0.0022)
 a3 = (    0.5202   -0.1823   -1.4884) (    0.0298    0.0266    0.1078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -83.7952  138.2406   64.0854    0.4117    3.5729    0.6324
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0006    0.0503      0.0032    0.0024    0.1128

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         9.0241         4.8799
# Chi-squares at the beginning and the end of the refinement
    0.2097    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7286   -0.0485   -0.7289   -0.0565    0.0080    1
    2    2    6   -1    0.0086   -0.2020   -0.0133   -0.1793    0.0315    0
    3   -4   -6    1   -0.0233    0.0812   -0.0241    0.0824    0.0015    1
    4    0    6   -1   -0.1956   -0.5843   -0.1976   -0.5890    0.0050    1
    5    2    4   -1    0.0558   -0.2275    0.0566   -0.2258    0.0018    1
    6   -4   -2    1   -0.0996    0.1141   -0.1046    0.1173    0.0060    1
    7    1    3   -1    0.1174   -0.5952    0.1201   -0.5972    0.0033    1
    8    2    2   -1    0.1437   -0.2246    0.1441   -0.2219    0.0027    1
    9   -4    2    1   -0.1887    0.0494   -0.1940    0.0483    0.0054    1
   10    2    0   -1    0.2276   -0.1307    0.2267   -0.1283    0.0026    1
   11    1    1   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -4    6    1   -0.1793   -0.0363   -0.1815   -0.0378    0.0027    1
   13    2   -2   -1    0.1997   -0.0092    0.1981   -0.0091    0.0016    1
   14    4   -2   -3    0.5296   -0.1511    0.5323   -0.1459    0.0058    1
   15   -1    3    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2   -4   -1    0.1261    0.0357    0.1256    0.0356    0.0005    1
   17    1   -1   -1    0.7269   -0.0805    0.7260   -0.0804    0.0009    1
   18    2    0   -3    1.0561   -0.5089    1.0655   -0.4953    0.0165    1
   19    5   -7   -2    0.0382    0.0048    0.0407    0.0272    0.0226    0
   20    1   -3   -1    0.4399    0.1645    0.4436    0.1639    0.0037    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -6   -1    0.2906    0.3272    0.2970    0.3320    0.0080    1
   23   -1   -3    0    0.0342    0.2605    0.0342    0.2676    0.0072    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7316   -0.0543   -0.7289   -0.0565    0.0034    1
    2    2    6   -1    0.0092   -0.2012   -0.0133   -0.1793    0.0313    0
    3   -4   -6    1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    0    6   -1   -0.1957   -0.5874   -0.1976   -0.5890    0.0025    1
    5    2    4   -1    0.0567   -0.2265    0.0566   -0.2258    0.0007    1
    6   -4   -2    1   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7    1    3   -1    0.1207   -0.5973    0.1201   -0.5972    0.0006    1
    8    2    2   -1    0.1446   -0.2229    0.1441   -0.2219    0.0010    1
    9   -4    2    1   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10    2    0   -1    0.2270   -0.1286    0.2267   -0.1283    0.0004    1
   11    1    1   -1    0.5367   -0.6122    0.5314   -0.6143    0.0057    1
   12   -4    6    1   -0.1805   -0.0378   -0.1815   -0.0378    0.0010    1
   13    2   -2   -1    0.1984   -0.0087    0.1981   -0.0091    0.0005    1
   14    4   -2   -3    0.5295   -0.1484    0.5323   -0.1459    0.0037    1
   15   -1    3    0   -0.3363   -0.2368   -0.3358   -0.2354    0.0015    1
   16    2   -4   -1    0.1258    0.0353    0.1256    0.0356    0.0004    1
   17    1   -1   -1    0.7267   -0.0784    0.7260   -0.0804    0.0021    1
   18    3   -1   -4    0.9895   -0.3521    1.0655   -0.4953    0.1621    0
   19    5   -7   -2    0.0371    0.0043    0.0407    0.0272    0.0233    0
   20    1   -3   -1    0.4411    0.1644    0.4436    0.1639    0.0026    1
   21    0    2    0   -0.0349   -0.0596   -0.0357   -0.0605    0.0012    1
   22    0   -6   -1    0.2946    0.3298    0.2970    0.3320    0.0032    1
   23   -1   -3    0    0.0346    0.2667    0.0342    0.2676    0.0011    1

###            No.418                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3701    2.2418    0.6891   90.1377  109.1054   90.2520      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3932    2.2786    0.6780   90.0000  111.6772   90.0000      0.0000         2.0549    3.3608
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0542    0.1140    0.0199    0.0000    5.6099    0.0000      0.0000         0.1261    0.2274
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4955   -0.3274    0.4938)
 a2 = (    0.2260    0.3833    0.0313)
 a3 = (   -0.5162    0.1946    1.4333)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4787   -0.3254    0.5114) (    0.0309    0.0116    0.0358)
 a2 = (    0.2225    0.3770    0.0316) (    0.0108    0.0194    0.0022)
 a3 = (   -0.5202    0.1823    1.4884) (    0.0298    0.0266    0.1078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   83.7952   41.7594 -115.9146    0.4117    3.5729    0.6324
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0006    0.0503      0.0032    0.0024    0.1128

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         9.6436         4.8799
# Chi-squares at the beginning and the end of the refinement
    0.0600    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2   -2    6    1    0.0096   -0.2006   -0.0133   -0.1793    0.0313    0
    3    4   -6   -1   -0.0257    0.0855   -0.0241    0.0824    0.0034    1
    4    0    6    1   -0.1964   -0.5836   -0.1976   -0.5890    0.0055    1
    5   -2    4    1    0.0570   -0.2250    0.0566   -0.2258    0.0009    1
    6    4   -2   -1   -0.1050    0.1165   -0.1046    0.1173    0.0008    1
    7   -1    3    1    0.1187   -0.5942    0.1201   -0.5972    0.0033    1
    8   -2    2    1    0.1439   -0.2204    0.1441   -0.2219    0.0015    1
    9    4    2   -1   -0.1929    0.0482   -0.1940    0.0483    0.0012    1
   10   -2    0    1    0.2244   -0.1264    0.2267   -0.1283    0.0030    1
   11   -1    1    1    0.5307   -0.6115    0.5314   -0.6143    0.0028    1
   12    4    6   -1   -0.1816   -0.0375   -0.1815   -0.0378    0.0003    1
   13   -2   -2    1    0.1952   -0.0082    0.1981   -0.0091    0.0031    1
   14   -4   -2    3    0.5258   -0.1488    0.5323   -0.1459    0.0071    1
   15    1    3    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2   -4    1    0.1230    0.0349    0.1256    0.0356    0.0027    1
   17   -1   -1    1    0.7247   -0.0812    0.7260   -0.0804    0.0016    1
   18   -2    0    3    1.0535   -0.5139    1.0655   -0.4953    0.0221    1
   19   -5   -7    2    0.0345    0.0044    0.0407    0.0272    0.0236    0
   20   -1   -3    1    0.4397    0.1634    0.4436    0.1639    0.0038    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -6    1    0.2938    0.3304    0.2970    0.3320    0.0035    1
   23    1   -3    0    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7316   -0.0543   -0.7289   -0.0565    0.0034    1
    2   -2    6    1    0.0092   -0.2012   -0.0133   -0.1793    0.0313    0
    3    4   -6   -1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    0    6    1   -0.1957   -0.5874   -0.1976   -0.5890    0.0025    1
    5   -2    4    1    0.0567   -0.2265    0.0566   -0.2258    0.0007    1
    6    4   -2   -1   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -1    3    1    0.1207   -0.5973    0.1201   -0.5972    0.0006    1
    8   -2    2    1    0.1446   -0.2229    0.1441   -0.2219    0.0010    1
    9    4    2   -1   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10   -2    0    1    0.2270   -0.1286    0.2267   -0.1283    0.0004    1
   11   -1    1    1    0.5367   -0.6122    0.5314   -0.6143    0.0057    1
   12    4    6   -1   -0.1805   -0.0378   -0.1815   -0.0378    0.0010    1
   13   -2   -2    1    0.1984   -0.0087    0.1981   -0.0091    0.0005    1
   14   -4   -2    3    0.5295   -0.1484    0.5323   -0.1459    0.0037    1
   15    1    3    0   -0.3363   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -2   -4    1    0.1258    0.0353    0.1256    0.0356    0.0004    1
   17   -1   -1    1    0.7267   -0.0784    0.7260   -0.0804    0.0021    1
   18   -3   -1    4    0.9895   -0.3521    1.0655   -0.4953    0.1621    0
   19   -5   -7    2    0.0371    0.0043    0.0407    0.0272    0.0233    0
   20   -1   -3    1    0.4411    0.1644    0.4436    0.1639    0.0026    1
   21    0    2    0   -0.0349   -0.0596   -0.0357   -0.0605    0.0012    1
   22    0   -6    1    0.2946    0.3298    0.2970    0.3320    0.0032    1
   23    1   -3    0    0.0346    0.2667    0.0342    0.2676    0.0011    1

###            No.427                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0071    1.4165    1.4020   90.0549   90.0848   89.3803      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9775    1.4316    1.4295   90.0000   88.6664   90.0000      0.0000         0.6838    1.0015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0014    0.1506    0.1449    0.0000    3.5054    0.0000      0.0000         0.0684    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1902   -0.1777    0.9583)
 a2 = (   -0.3576   -0.6067   -0.0495)
 a3 = (    0.6003   -0.3399   -0.1811)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1754   -0.1864    0.9907) (    0.0310    0.0133    0.0078)
 a2 = (   -0.3539   -0.6001   -0.0502) (    0.0363    0.0640    0.0040)
 a3 = (    0.5883   -0.3316   -0.1834) (    0.0631    0.0366    0.0050)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   94.2475  103.8614   60.4897    0.3323    1.8899    0.3973
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            157            400
# Figure of merit at the beginning and the end of the refinement
        17.3496         4.8176
# Chi-squares at the beginning and the end of the refinement
    0.2518    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7157   -0.0555   -0.7289   -0.0565    0.0132    1
    2    0   -2   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1    3    3   -0.0246    0.0809   -0.0241    0.0824    0.0016    1
    4    1   -3   -1   -0.1953   -0.5844   -0.1976   -0.5890    0.0051    1
    5    0   -2   -2    0.0586   -0.2286    0.0566   -0.2258    0.0034    1
    6    1    1    3   -0.1008    0.1113   -0.1046    0.1173    0.0071    1
    7    1   -3   -3    0.1204   -0.5955    0.1201   -0.5972    0.0017    1
    8    0   -2   -4    0.1467   -0.2239    0.1441   -0.2219    0.0032    1
    9    1   -1    3   -0.1860    0.0468   -0.1940    0.0483    0.0082    1
   10    0    0   -1    0.2284   -0.1293    0.2267   -0.1283    0.0020    1
   11    1   -1   -3    0.5298   -0.6124    0.5314   -0.6143    0.0025    1
   12    1   -3    3   -0.1766   -0.0359   -0.1815   -0.0378    0.0053    1
   13    0    2   -4    0.2002   -0.0094    0.1981   -0.0091    0.0021    1
   14    1    1   -5    0.5284   -0.1526    0.5323   -0.1459    0.0077    1
   15    1   -3    1   -0.3337   -0.2333   -0.3358   -0.2354    0.0030    1
   16    0    2   -2    0.1275    0.0355    0.1256    0.0356    0.0019    1
   17    1    1   -3    0.7273   -0.0869    0.7260   -0.0804    0.0066    1
   18    2    0   -4    1.0480   -0.5206    1.0655   -0.4953    0.0308    1
   19    0    2   -1    0.0433    0.0288    0.0407    0.0272    0.0030    1
   20    1    3   -3    0.4450    0.1622    0.4436    0.1639    0.0022    1
   21    0   -2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    3   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    3    1    0.0320    0.2651    0.0342    0.2676    0.0033    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    0   -2   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1    3    3   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    1   -3   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0   -2   -2    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    1    3   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    1   -3   -3    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    0   -2   -4    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    1   -1    3   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    1   -1   -3    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12    1   -3    3   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0    2   -4    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1    1   -5    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15    1   -3    1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0    2   -2    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    1    1   -3    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    2    0   -5    0.8605   -0.4273    1.0655   -0.4953    0.2160    0
   19    0    2   -1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    1    3   -3    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0   -2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1    3   -1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23    1    3    1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.428                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0087    1.4154    1.4015   90.0681   91.5731   89.4855      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9775    1.4316    1.4295   90.0000   91.3336   90.0000      0.0000         0.6838    1.0015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0014    0.1506    0.1449    0.0000    3.5054    0.0000      0.0000         0.0684    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1558   -0.1807    0.9627)
 a2 = (    0.3579    0.6072    0.0495)
 a3 = (   -0.6008    0.3401    0.1812)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1754   -0.1864    0.9907) (    0.0310    0.0133    0.0078)
 a2 = (    0.3539    0.6001    0.0502) (    0.0363    0.0640    0.0040)
 a3 = (   -0.5883    0.3316    0.1834) (    0.0631    0.0366    0.0050)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   85.7525   76.1386 -119.5103    0.3323    1.8899    0.3973
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            163            400
# Figure of merit at the beginning and the end of the refinement
        13.6745         4.8176
# Chi-squares at the beginning and the end of the refinement
    0.2204    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2    0    2    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1   -3   -3   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    3    1   -0.1881   -0.5927   -0.1976   -0.5890    0.0102    1
    5    0    2    2    0.0586   -0.2286    0.0566   -0.2258    0.0034    1
    6    1   -1   -3   -0.1014    0.1146   -0.1046    0.1173    0.0042    1
    7    1    3    3    0.1280   -0.5943    0.1201   -0.5972    0.0083    1
    8    0    2    4    0.1467   -0.2239    0.1441   -0.2219    0.0032    1
    9    1    1   -3   -0.1898    0.0487   -0.1940    0.0483    0.0042    1
   10    0    0    1    0.2284   -0.1293    0.2267   -0.1283    0.0020    1
   11    1    1    3    0.5341   -0.5996    0.5314   -0.6143    0.0149    1
   12    1    3   -3   -0.1797   -0.0368   -0.1815   -0.0378    0.0021    1
   13    0   -2    4    0.2002   -0.0094    0.1981   -0.0091    0.0021    1
   14    1   -1    5    0.5249   -0.1494    0.5323   -0.1459    0.0082    1
   15    1    3   -1   -0.3376   -0.2399   -0.3358   -0.2354    0.0049    1
   16    0   -2    2    0.1275    0.0355    0.1256    0.0356    0.0019    1
   17    1   -1    3    0.7171   -0.0832    0.7260   -0.0804    0.0094    1
   18    2    0    4    1.0316   -0.4928    1.0655   -0.4953    0.0340    1
   19    0   -2    1    0.0433    0.0288    0.0407    0.0272    0.0030    1
   20    1   -3    3    0.4416    0.1594    0.4436    0.1639    0.0049    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3    1    0.2982    0.3264    0.2970    0.3320    0.0058    1
   23    1   -3   -1    0.0359    0.2653    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    0    2    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -3   -3   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    1    3    1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0    2    2    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    1   -1   -3   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    1    3    3    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    0    2    4    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    1    1   -3   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    1    1    3    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12    1    3   -3   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0   -2    4    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1   -1    5    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15    1    3   -1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0   -2    2    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    1   -1    3    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    2    0    5    0.8605   -0.4273    1.0655   -0.4953    0.2160    0
   19    0   -2    1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    1   -3    3    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1   -3    1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23    1   -3   -1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.431                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0038    1.4110    1.4121   90.0214   90.0419   90.1874      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9775    1.4316    1.4295   90.0000   91.3336   90.0000      0.0000         0.6838    1.0015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0014    0.1506    0.1449    0.0000    3.5054    0.0000      0.0000         0.0684    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1807    0.1876   -0.9615)
 a2 = (    0.3596    0.6088    0.0488)
 a3 = (    0.5964   -0.3376   -0.1785)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1754    0.1864   -0.9907) (    0.0310    0.0133    0.0078)
 a2 = (    0.3539    0.6001    0.0502) (    0.0363    0.0640    0.0040)
 a3 = (    0.5883   -0.3316   -0.1834) (    0.0631    0.0366    0.0050)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -85.7525  103.8614   60.4897    0.3323    1.8899    0.3973
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            159            400
# Figure of merit at the beginning and the end of the refinement
        34.7925         4.8176
# Chi-squares at the beginning and the end of the refinement
    0.0320    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7279   -0.0535   -0.7289   -0.0565    0.0032    1
    2    0    2   -1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -1   -3    3   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -1    3   -1   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5    0    2   -2    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1   -1    3   -0.1035    0.1163   -0.1046    0.1173    0.0015    1
    7   -1    3   -3    0.1191   -0.5961    0.1201   -0.5972    0.0015    1
    8    0    2   -4    0.1443   -0.2224    0.1441   -0.2219    0.0005    1
    9   -1    1    3   -0.1915    0.0486   -0.1940    0.0483    0.0026    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1   -3    0.5339   -0.6131    0.5314   -0.6143    0.0027    1
   12   -1    3    3   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13    0   -2   -4    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -1   -5    0.5291   -0.1493    0.5323   -0.1459    0.0046    1
   15   -1    3    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1   -3    0.7272   -0.0800    0.7260   -0.0804    0.0012    1
   18   -2    0   -4    1.0575   -0.5095    1.0655   -0.4953    0.0164    1
   19    0   -2   -1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1   -3   -3    0.4414    0.1644    0.4436    0.1639    0.0022    1
   21    0    2    0   -0.0351   -0.0594   -0.0357   -0.0605    0.0012    1
   22   -1   -3   -1    0.2944    0.3303    0.2970    0.3320    0.0031    1
   23   -1   -3    1    0.0342    0.2663    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    0    2   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -3    3   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4   -1    3   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0    2   -2    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1   -1    3   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -1    3   -3    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    0    2   -4    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -1    1    3   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11   -1    1   -3    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12   -1    3    3   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0   -2   -4    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1   -1   -5    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15   -1    3    1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0   -2   -2    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17   -1   -1   -3    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18   -2    0   -5    0.8605   -0.4273    1.0655   -0.4953    0.2160    0
   19    0   -2   -1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20   -1   -3   -3    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1   -3   -1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23   -1   -3    1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.433                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8591    2.5710    1.0015   89.9863  115.2848   90.3077      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8533    2.5769    1.0044   90.0000  115.0965   90.0000      0.0000         0.8495    2.5655
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0079    0.0610    0.0166    0.0000    1.1314    0.0000      0.0000         0.0123    0.0522
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5075   -0.8949    0.7740)
 a2 = (   -0.3131   -0.0243   -0.2296)
 a3 = (    0.2613   -1.0433   -0.2503)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5099   -0.8983    0.7797) (    0.0131    0.0128    0.0120)
 a2 = (   -0.3116   -0.0229   -0.2302) (    0.0088    0.0033    0.0040)
 a3 = (    0.2616   -1.0379   -0.2508) (    0.0108    0.0149    0.0083)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  134.5547  122.2793   31.9419    0.6756    0.6420    0.6898
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0007    0.0054      0.0024    0.0032    0.0162

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2421         4.5577
# Chi-squares at the beginning and the end of the refinement
    0.0565    0.0188
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3   -4   -0.0138   -0.1771   -0.0133   -0.1793    0.0023    1
    3    1   -3    4   -0.0251    0.0849   -0.0241    0.0824    0.0027    1
    4    0   -2   -1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -2    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    1   -3   -5    0.1183   -0.5941    0.1201   -0.5972    0.0036    1
    8    1    3   -5    0.1436   -0.2216    0.1441   -0.2219    0.0006    1
    9   -1   -7    1   -0.1968   -0.0014   -0.1940    0.0483    0.0498    0
   10    1    3   -2    0.2249   -0.1278    0.2267   -0.1283    0.0018    1
   11    2    0   -4    0.5291   -0.6122    0.5314   -0.6143    0.0031    1
   12   -1   -7    1   -0.1968   -0.0014   -0.1815   -0.0378    0.0394    0
   13    1    3   -1    0.1961   -0.0087    0.1981   -0.0091    0.0020    1
   14    3    5   -4    0.4744   -0.1570    0.5323   -0.1459    0.0589    0
   15   -1   -7   -1   -0.2543   -0.2199   -0.3358   -0.2354    0.0830    0
   16    2    6   -1    0.1236    0.0349    0.1256    0.0356    0.0021    1
   17    1    1   -1    0.7250   -0.0833    0.7260   -0.0804    0.0031    1
   18    4    0   -5    1.0501   -0.5153    1.0655   -0.4953    0.0252    1
   19    1    3    0    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    4    6   -2    0.4406    0.1629    0.4436    0.1639    0.0031    1
   21   -1   -3   -1   -0.0359   -0.0609   -0.0357   -0.0605    0.0004    1
   22    1    1    0    0.2943    0.3296    0.2970    0.3320    0.0036    1
   23    2    0    2    0.0338    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7307   -0.0544   -0.7289   -0.0565    0.0027    1
    2   -1   -3   -4   -0.0135   -0.1772   -0.0133   -0.1793    0.0021    1
    3    1   -3    4   -0.0252    0.0851   -0.0241    0.0824    0.0029    1
    4    0   -2   -1   -0.1957   -0.5880   -0.1976   -0.5890    0.0021    1
    5    0    0   -1    0.0571   -0.2267    0.0566   -0.2258    0.0011    1
    6    0   -2    1   -0.1042    0.1163   -0.1046    0.1173    0.0010    1
    7    1   -3   -5    0.1211   -0.5976    0.1201   -0.5972    0.0011    1
    8    1    3   -5    0.1449   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1   -7    1   -0.1955   -0.0021   -0.1940    0.0483    0.0504    0
   10    1    3   -2    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    2    0   -4    0.5367   -0.6122    0.5314   -0.6143    0.0056    1
   12   -1   -7    1   -0.1955   -0.0021   -0.1815   -0.0378    0.0383    0
   13    1    3   -1    0.1980   -0.0089    0.1981   -0.0091    0.0002    1
   14    3    5   -4    0.4771   -0.1555    0.5323   -0.1459    0.0560    0
   15   -1   -7   -1   -0.2538   -0.2199   -0.3358   -0.2354    0.0834    0
   16    2    6   -1    0.1255    0.0349    0.1256    0.0356    0.0007    1
   17    1    1   -1    0.7266   -0.0790    0.7260   -0.0804    0.0015    1
   18    4    0   -5    1.0586   -0.5055    1.0655   -0.4953    0.0123    1
   19    1    3    0    0.0426    0.0277    0.0407    0.0272    0.0019    1
   20    4    6   -2    0.4412    0.1639    0.4436    0.1639    0.0024    1
   21   -1   -3   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22    1    1    0    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    2    0    2    0.0345    0.2666    0.0342    0.2676    0.0011    1

###            No.434                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0066    2.0007    1.1100   90.0118  116.4902   91.4991      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9988    2.0536    1.0942   90.0000  116.9850   90.0000      0.0000         0.9128    1.8768
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0076    0.0888    0.0152    0.0000    0.8524    0.0000      0.0000         0.0111    0.0864
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7086    0.8049    0.2882)
 a2 = (   -0.1011    0.1027   -0.4788)
 a3 = (   -0.9603   -0.2724    0.1303)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7238    0.8099    0.2872) (    0.0089    0.0078    0.0085)
 a2 = (   -0.0884    0.0879   -0.4707) (    0.0066    0.0061    0.0196)
 a3 = (   -0.9788   -0.2761    0.1323) (    0.0120    0.0100    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  165.1905   89.1619  -47.9924    0.4504    0.2885    0.5944
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0070    0.0005   -0.0423      0.0024    0.0028    0.0470

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9877         4.4656
# Chi-squares at the beginning and the end of the refinement
    0.5888    0.2594
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2   -1   -0.7094   -0.0409   -0.7289   -0.0565    0.0250    1
    2    4    0   -3   -0.0022   -0.1887   -0.0133   -0.1793    0.0145    1
    3   -5   -3    3   -0.0136    0.0725   -0.0241    0.0824    0.0144    1
    4    1   -1   -1   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5    2    0   -1    0.0543   -0.2238    0.0566   -0.2258    0.0030    1
    6   -1   -1    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    5   -3   -2    0.1735   -0.5603    0.1201   -0.5972    0.0648    0
    8    4    0   -1    0.1220   -0.2273    0.1441   -0.2219    0.0227    0
    9   -2   -4   -3   -0.1892    0.0484   -0.1940    0.0483    0.0048    1
   10    2    0    1    0.2258   -0.1270    0.2267   -0.1283    0.0016    1
   11    1   -1    0    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12    0   -2   -3   -0.1769   -0.0351   -0.1815   -0.0378    0.0054    1
   13    2    0    3    0.2176   -0.0401    0.1981   -0.0091    0.0367    0
   14    1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    2   -4   -5   -0.3334   -0.2253   -0.3358   -0.2354    0.0103    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -4    3    0.7332   -0.0719    0.7260   -0.0804    0.0111    1
   18    2   -4    1    1.0886   -0.5113    1.0655   -0.4953    0.0281    1
   19   -3   -1    5    0.0316    0.0476    0.0407    0.0272    0.0223    0
   20    0   -2    3    0.4394    0.1677    0.4436    0.1639    0.0057    1
   21    2    0   -3   -0.0338   -0.0560   -0.0357   -0.0605    0.0049    1
   22   -2   -4    5    0.2919    0.3313    0.2970    0.3320    0.0051    1
   23   -1   -1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2   -1   -0.7313   -0.0624   -0.7289   -0.0565    0.0064    1
    2    4    0   -3   -0.0090   -0.1921   -0.0133   -0.1793    0.0135    1
    3   -5   -3    3   -0.0205    0.0736   -0.0241    0.0824    0.0095    1
    4    1   -1   -1   -0.2080   -0.5836   -0.1976   -0.5890    0.0116    1
    5    2    0   -1    0.0496   -0.2285    0.0566   -0.2258    0.0075    1
    6   -1   -1    0   -0.1130    0.1177   -0.1046    0.1173    0.0084    1
    7    5   -3   -2    0.1740   -0.5619    0.1201   -0.5972    0.0644    0
    8    4    0   -1    0.1196   -0.2318    0.1441   -0.2219    0.0264    0
    9   -2   -4   -3   -0.1965    0.0462   -0.1940    0.0483    0.0033    1
   10    2    0    1    0.2253   -0.1282    0.2267   -0.1283    0.0014    1
   11    1   -1    0    0.5355   -0.6161    0.5314   -0.6143    0.0045    1
   12    0   -2   -3   -0.1816   -0.0361   -0.1815   -0.0378    0.0017    1
   13    2    0    3    0.2166   -0.0399    0.1981   -0.0091    0.0359    0
   14    1   -1    1    0.5270   -0.1471    0.5323   -0.1459    0.0054    1
   15    2   -4   -5   -0.3385   -0.2306   -0.3358   -0.2354    0.0055    1
   16    0    0    1    0.1235    0.0373    0.1256    0.0356    0.0027    1
   17    2   -4    3    0.7224   -0.0792    0.7260   -0.0804    0.0038    1
   18    2   -4    1    1.0523   -0.5067    1.0655   -0.4953    0.0174    1
   19   -3   -1    5    0.0266    0.0502    0.0407    0.0272    0.0269    0
   20    0   -2    3    0.4394    0.1629    0.4436    0.1639    0.0043    1
   21    2    0   -3   -0.0405   -0.0547   -0.0357   -0.0605    0.0076    1
   22   -2   -4    5    0.2983    0.3314    0.2970    0.3320    0.0015    1
   23   -1   -1    1    0.0320    0.2754    0.0342    0.2676    0.0080    1

###            No.435                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8518    1.8194    1.3565   90.0622  107.9413   89.8339      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8571    1.8026    1.3571   90.0000  107.4756   90.0000      0.0000         0.6316    1.3283
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0235    0.0949    0.0339    0.0000    4.9916    0.0000      0.0000         0.0137    0.0475
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3379    0.7319   -0.9343)
 a2 = (    0.5243    0.1487   -0.0712)
 a3 = (    0.0298   -0.4168   -0.6525)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3301    0.7289   -0.9252) (    0.0078    0.0449    0.0355)
 a2 = (    0.5293    0.1503   -0.0704) (    0.0288    0.0072    0.0029)
 a3 = (    0.0326   -0.4188   -0.6483) (    0.0125    0.0244    0.0254)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -99.5307  129.9197    9.7006    0.4017    2.6321    0.6214
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0002   -0.0154      0.0024    0.0036    0.0915

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9659         4.4510
# Chi-squares at the beginning and the end of the refinement
    0.0666    0.0194
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3   -1   -0.7266   -0.0506   -0.7289   -0.0565    0.0063    1
    2    1    1   -2   -0.0129   -0.1738   -0.0133   -0.1793    0.0055    1
    3   -4    0    5   -0.0260    0.0869   -0.0241    0.0824    0.0049    1
    4    1    3   -5   -0.1943   -0.5837   -0.1976   -0.5890    0.0063    1
    5    2    0   -4    0.0565   -0.2225    0.0566   -0.2258    0.0033    1
    6   -1    1    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    2    0   -7    0.1195   -0.5919    0.1201   -0.5972    0.0053    1
    8    1   -1   -2    0.1426   -0.2191    0.1441   -0.2219    0.0032    1
    9   -2    6    1   -0.1922    0.0493   -0.1940    0.0483    0.0021    1
   10    1   -3   -2    0.2242   -0.1273    0.2267   -0.1283    0.0027    1
   11    1   -3   -5    0.5311   -0.6109    0.5314   -0.6143    0.0033    1
   12   -1    5    0   -0.1955   -0.0008   -0.1815   -0.0378    0.0396    0
   13    1   -7   -2    0.2101   -0.0271    0.1981   -0.0091    0.0216    0
   14    1   -7   -4    0.4752   -0.1564    0.5323   -0.1459    0.0580    0
   15    0    2   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -2   -1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18    0   -2   -2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1   -7    2    0.0238    0.0190    0.0407    0.0272    0.0189    0
   20   -1   -7   -1    0.5333    0.2151    0.4436    0.1639    0.1034    0
   21    1    3   -2   -0.0341   -0.0583   -0.0357   -0.0605    0.0027    1
   22   -2   -6    1    0.2939    0.3339    0.2970    0.3320    0.0036    1
   23   -1   -1    1    0.0324    0.2681    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3   -1   -0.7293   -0.0547   -0.7289   -0.0565    0.0019    1
    2    1    1   -2   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3   -4    0    5   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    3   -5   -0.1962   -0.5874   -0.1976   -0.5890    0.0021    1
    5    2    0   -4    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6   -1    1    1   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7    2    0   -7    0.1211   -0.5975    0.1201   -0.5972    0.0010    1
    8    1   -1   -2    0.1452   -0.2224    0.1441   -0.2219    0.0012    1
    9   -2    6    1   -0.1921    0.0483   -0.1940    0.0483    0.0019    1
   10    1   -3   -2    0.2268   -0.1277    0.2267   -0.1283    0.0006    1
   11    1   -3   -5    0.5366   -0.6116    0.5314   -0.6143    0.0058    1
   12   -1    5    0   -0.1952   -0.0017   -0.1815   -0.0378    0.0386    0
   13    1   -7   -2    0.2110   -0.0267    0.1981   -0.0091    0.0217    0
   14    1   -7   -4    0.4767   -0.1549    0.5323   -0.1459    0.0563    0
   15    0    2   -1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0   -2    0    0.1252    0.0353    0.1256    0.0356    0.0005    1
   17    0   -2   -1    0.7260   -0.0789    0.7260   -0.0804    0.0015    1
   18    0   -2   -2    1.0575   -0.5054    1.0655   -0.4953    0.0130    1
   19   -1   -7    2    0.0231    0.0179    0.0407    0.0272    0.0199    0
   20   -1   -7   -1    0.5311    0.2120    0.4436    0.1639    0.0999    0
   21    1    3   -2   -0.0351   -0.0599   -0.0357   -0.0605    0.0008    1
   22   -2   -6    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1   -1    1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.436                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8541    1.8141    1.3577   90.9969  108.0246   89.6329      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8571    1.8026    1.3703   90.0000  109.1521   90.0000      0.0000         0.6255    1.3155
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0190    0.0322    0.1133    0.0000    3.6544    0.0000      0.0000         0.0387    0.1088
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3609    1.1434   -0.2802)
 a2 = (   -0.5259   -0.1492    0.0714)
 a3 = (   -0.0393    0.4069    0.6580)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3627    1.1477   -0.2768) (    0.0103    0.0085    0.0253)
 a2 = (   -0.5293   -0.1503    0.0704) (    0.0098    0.0043    0.0042)
 a3 = (   -0.0326    0.4188    0.6483) (    0.0110    0.0117    0.0561)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.4668   14.9288  167.1529    1.5726    1.2261    1.7587
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0002   -0.0154      0.0024    0.0036    0.0915

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7381         4.4510
# Chi-squares at the beginning and the end of the refinement
    0.0676    0.0194
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    2   -0.7400   -0.0470   -0.7289   -0.0565    0.0146    1
    2    1   -1    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -4    0   -1   -0.0254    0.0854   -0.0241    0.0824    0.0032    1
    4    1   -3    4   -0.1973   -0.5992   -0.1976   -0.5890    0.0102    1
    5    2    0    2    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6   -1   -1    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    2    0    5    0.1284   -0.6043    0.1201   -0.5972    0.0110    1
    8    1    1    1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9   -2   -6    1   -0.1932    0.0496   -0.1940    0.0483    0.0015    1
   10    1    3    1    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11    1    3    4    0.5492   -0.6089    0.5314   -0.6143    0.0186    1
   12   -1   -5    1   -0.1970   -0.0006   -0.1815   -0.0378    0.0402    0
   13    1    7    1    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14    1    7    3    0.4790   -0.1520    0.5323   -0.1459    0.0537    0
   15    0   -2    1   -0.3426   -0.2386   -0.3358   -0.2354    0.0076    1
   16    0    2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    2    1    0.7266   -0.0723    0.7260   -0.0804    0.0081    1
   18    0    2    2    1.0682   -0.4871    1.0655   -0.4953    0.0086    1
   19   -1    7   -1    0.0228    0.0181    0.0407    0.0272    0.0201    0
   20   -1    7    2    0.5300    0.2142    0.4436    0.1639    0.1000    0
   21    1   -3    1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22   -2    6    1    0.2947    0.3307    0.2970    0.3320    0.0026    1
   23   -1    1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    2   -0.7293   -0.0547   -0.7289   -0.0565    0.0019    1
    2    1   -1    1   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3   -4    0   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -3    4   -0.1962   -0.5874   -0.1976   -0.5890    0.0021    1
    5    2    0    2    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6   -1   -1    0   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7    2    0    5    0.1211   -0.5975    0.1201   -0.5972    0.0010    1
    8    1    1    1    0.1452   -0.2224    0.1441   -0.2219    0.0012    1
    9   -2   -6    1   -0.1921    0.0483   -0.1940    0.0483    0.0019    1
   10    1    3    1    0.2268   -0.1277    0.2267   -0.1283    0.0006    1
   11    1    3    4    0.5366   -0.6116    0.5314   -0.6143    0.0058    1
   12   -1   -5    1   -0.1952   -0.0017   -0.1815   -0.0378    0.0386    0
   13    1    7    1    0.2110   -0.0267    0.1981   -0.0091    0.0217    0
   14    1    7    3    0.4767   -0.1549    0.5323   -0.1459    0.0563    0
   15    0   -2    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    2    0    0.1252    0.0353    0.1256    0.0356    0.0005    1
   17    0    2    1    0.7260   -0.0789    0.7260   -0.0804    0.0015    1
   18    0    2    2    1.0575   -0.5054    1.0655   -0.4953    0.0130    1
   19   -1    7   -1    0.0231    0.0179    0.0407    0.0272    0.0199    0
   20   -1    7    2    0.5311    0.2120    0.4436    0.1639    0.0999    0
   21    1   -3    1   -0.0351   -0.0599   -0.0357   -0.0605    0.0008    1
   22   -2    6    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1    1    0    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.437                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8564    1.8139    1.3558   90.0804  108.2789   90.1221      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8571    1.8026    1.3571   90.0000  107.4756   90.0000      0.0000         0.6316    1.3283
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0235    0.0949    0.0339    0.0000    4.9916    0.0000      0.0000         0.0137    0.0475
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3326   -0.7269    0.9344)
 a2 = (    0.5263    0.1485   -0.0699)
 a3 = (   -0.0288    0.4166    0.6549)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3301   -0.7289    0.9252) (    0.0078    0.0449    0.0355)
 a2 = (    0.5293    0.1503   -0.0704) (    0.0288    0.0072    0.0029)
 a3 = (   -0.0326    0.4188    0.6483) (    0.0125    0.0244    0.0254)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   99.5307   50.0803 -170.2994    0.4017    2.6321    0.6214
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0002   -0.0154      0.0024    0.0036    0.0915

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2924         4.4510
# Chi-squares at the beginning and the end of the refinement
    0.0256    0.0194
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    1   -0.7291   -0.0523   -0.7289   -0.0565    0.0042    1
    2   -1    1    2   -0.0142   -0.1777   -0.0133   -0.1793    0.0018    1
    3    4    0   -5   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    3    5   -0.1989   -0.5872   -0.1976   -0.5890    0.0022    1
    5   -2    0    4    0.0566   -0.2265    0.0566   -0.2258    0.0007    1
    6    1    1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -2    0    7    0.1186   -0.5979    0.1201   -0.5972    0.0017    1
    8   -1   -1    2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    2    6   -1   -0.1937    0.0493   -0.1940    0.0483    0.0010    1
   10   -1   -3    2    0.2250   -0.1274    0.2267   -0.1283    0.0019    1
   11   -1   -3    5    0.5340   -0.6143    0.5314   -0.6143    0.0025    1
   12    1    5    0   -0.1973   -0.0010   -0.1815   -0.0378    0.0400    0
   13   -1   -7    2    0.2088   -0.0267    0.1981   -0.0091    0.0206    0
   14   -1   -7    4    0.4753   -0.1558    0.5323   -0.1459    0.0579    0
   15    0    2    1   -0.3387   -0.2360   -0.3358   -0.2354    0.0030    1
   16    0   -2    0    0.1230    0.0347    0.1256    0.0356    0.0028    1
   17    0   -2    1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    0   -2    2    1.0588   -0.5115    1.0655   -0.4953    0.0175    1
   19    1   -7   -2    0.0213    0.0168    0.0407    0.0272    0.0221    0
   20    1   -7    1    0.5304    0.2117    0.4436    0.1639    0.0991    0
   21   -1    3    2   -0.0363   -0.0612   -0.0357   -0.0605    0.0009    1
   22    2   -6   -1    0.2938    0.3293    0.2970    0.3320    0.0042    1
   23    1   -1   -1    0.0340    0.2661    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    3    1   -0.7293   -0.0547   -0.7289   -0.0565    0.0019    1
    2   -1    1    2   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3    4    0   -5   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    3    5   -0.1962   -0.5874   -0.1976   -0.5890    0.0021    1
    5   -2    0    4    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6    1    1   -1   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -2    0    7    0.1211   -0.5975    0.1201   -0.5972    0.0010    1
    8   -1   -1    2    0.1452   -0.2224    0.1441   -0.2219    0.0012    1
    9    2    6   -1   -0.1921    0.0483   -0.1940    0.0483    0.0019    1
   10   -1   -3    2    0.2268   -0.1277    0.2267   -0.1283    0.0006    1
   11   -1   -3    5    0.5366   -0.6116    0.5314   -0.6143    0.0058    1
   12    1    5    0   -0.1952   -0.0017   -0.1815   -0.0378    0.0386    0
   13   -1   -7    2    0.2110   -0.0267    0.1981   -0.0091    0.0217    0
   14   -1   -7    4    0.4767   -0.1549    0.5323   -0.1459    0.0563    0
   15    0    2    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0   -2    0    0.1252    0.0353    0.1256    0.0356    0.0005    1
   17    0   -2    1    0.7260   -0.0789    0.7260   -0.0804    0.0015    1
   18    0   -2    2    1.0575   -0.5054    1.0655   -0.4953    0.0130    1
   19    1   -7   -2    0.0231    0.0179    0.0407    0.0272    0.0199    0
   20    1   -7    1    0.5311    0.2120    0.4436    0.1639    0.0999    0
   21   -1    3    2   -0.0351   -0.0599   -0.0357   -0.0605    0.0008    1
   22    2   -6   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    1   -1   -1    0.0345    0.2670    0.0342    0.2676    0.0007    1

###            No.438                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8139    0.8564    1.5732   90.0374  125.0800   90.1221      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.8123    0.8582    1.5747   90.0000  125.2481   90.0000      0.0000         1.1509    0.5450
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0205    0.0180    0.0273    0.0000    0.9175    0.0000      0.0000         0.0156    0.0107
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5407   -0.0598   -0.3974)
 a2 = (    0.3470   -0.9352    0.6069)
 a3 = (    0.0288   -0.4166   -0.6549)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5421   -0.0589   -0.3989) (    0.0036    0.0064    0.0046)
 a2 = (    0.3463   -0.9318    0.6081) (    0.0130    0.0222    0.0092)
 a3 = (    0.0314   -0.4164   -0.6559) (    0.0088    0.0086    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -48.5288  128.0005  -41.0582    0.5249    0.5392    0.5938
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0001    0.0024      0.0024    0.0036    0.0150

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2924         4.4427
# Chi-squares at the beginning and the end of the refinement
    0.0448    0.0204
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3    1   -3   -0.7291   -0.0523   -0.7289   -0.0565    0.0042    1
    2    1   -1   -2   -0.0142   -0.1777   -0.0133   -0.1793    0.0018    1
    3    0    4    3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    3   -1   -6   -0.1989   -0.5872   -0.1976   -0.5890    0.0022    1
    5    0   -2   -3    0.0566   -0.2265    0.0566   -0.2258    0.0007    1
    6    1    1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    0   -2   -6    0.1186   -0.5979    0.1201   -0.5972    0.0017    1
    8   -1   -1   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    6    2   -3   -0.1937    0.0493   -0.1940    0.0483    0.0010    1
   10   -3   -1    0    0.2250   -0.1274    0.2267   -0.1283    0.0019    1
   11   -3   -1   -3    0.5340   -0.6143    0.5314   -0.6143    0.0025    1
   12    5    1   -3   -0.1973   -0.0010   -0.1815   -0.0378    0.0400    0
   13   -7   -1    2    0.2088   -0.0267    0.1981   -0.0091    0.0206    0
   14   -7   -1    0    0.4753   -0.1558    0.5323   -0.1459    0.0579    0
   15    2    0   -2   -0.3387   -0.2360   -0.3358   -0.2354    0.0030    1
   16   -2    0    1    0.1230    0.0347    0.1256    0.0356    0.0028    1
   17   -2    0    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -2    0   -1    1.0588   -0.5115    1.0655   -0.4953    0.0175    1
   19   -7    1    5    0.0213    0.0168    0.0407    0.0272    0.0221    0
   20   -7    1    2    0.5304    0.2117    0.4436    0.1639    0.0991    0
   21    3   -1   -3   -0.0363   -0.0612   -0.0357   -0.0605    0.0009    1
   22   -6    2    3    0.2938    0.3293    0.2970    0.3320    0.0042    1
   23   -1    1    1    0.0340    0.2661    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3    1   -3   -0.7280   -0.0548   -0.7289   -0.0565    0.0020    1
    2    1   -1   -2   -0.0135   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0    4    3   -0.0252    0.0854   -0.0241    0.0824    0.0032    1
    4    3   -1   -6   -0.1967   -0.5873   -0.1976   -0.5890    0.0019    1
    5    0   -2   -3    0.0575   -0.2266    0.0566   -0.2258    0.0012    1
    6    1    1    0   -0.1044    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -2   -6    0.1210   -0.5977    0.1201   -0.5972    0.0010    1
    8   -1   -1   -1    0.1454   -0.2221    0.1441   -0.2219    0.0013    1
    9    6    2   -3   -0.1923    0.0482   -0.1940    0.0483    0.0017    1
   10   -3   -1    0    0.2266   -0.1273    0.2267   -0.1283    0.0011    1
   11   -3   -1   -3    0.5365   -0.6118    0.5314   -0.6143    0.0057    1
   12    5    1   -3   -0.1954   -0.0017   -0.1815   -0.0378    0.0387    0
   13   -7   -1    2    0.2104   -0.0265    0.1981   -0.0091    0.0213    0
   14   -7   -1    0    0.4764   -0.1546    0.5323   -0.1459    0.0566    0
   15    2    0   -2   -0.3366   -0.2360   -0.3358   -0.2354    0.0010    1
   16   -2    0    1    0.1248    0.0352    0.1256    0.0356    0.0009    1
   17   -2    0    0    0.7259   -0.0789    0.7260   -0.0804    0.0014    1
   18   -2    0   -1    1.0579   -0.5065    1.0655   -0.4953    0.0136    1
   19   -7    1    5    0.0229    0.0177    0.0407    0.0272    0.0203    0
   20   -7    1    2    0.5311    0.2119    0.4436    0.1639    0.0998    0
   21    3   -1   -3   -0.0352   -0.0602   -0.0357   -0.0605    0.0006    1
   22   -6    2    3    0.2952    0.3299    0.2970    0.3320    0.0027    1
   23   -1    1    1    0.0344    0.2672    0.0342    0.2676    0.0005    1

###            No.439                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8194    0.8518    1.5788   90.3879  125.1722   89.8339      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.8123    0.8582    1.5716   90.0000  125.0895   90.0000      0.0000         1.1531    0.5460
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0174    0.0164    0.0302    0.0000    0.7846    0.0000      0.0000         0.0184    0.0121
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5094    0.3571    0.2551)
 a2 = (   -0.3528    0.9403   -0.6080)
 a3 = (   -0.0298    0.4168    0.6525)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5107    0.3576    0.2570) (    0.0045    0.0048    0.0049)
 a2 = (   -0.3463    0.9318   -0.6081) (    0.0107    0.0211    0.0095)
 a3 = (   -0.0314    0.4164    0.6559) (    0.0093    0.0080    0.0108)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  143.8600   40.2552 -115.8725    0.6124    0.5022    0.7713
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0001    0.0024      0.0024    0.0036    0.0150

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9659         4.4427
# Chi-squares at the beginning and the end of the refinement
    0.0586    0.0204
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1    0   -0.7266   -0.0506   -0.7289   -0.0565    0.0063    1
    2    1    1    1   -0.0129   -0.1738   -0.0133   -0.1793    0.0055    1
    3    0   -4   -3   -0.0260    0.0869   -0.0241    0.0824    0.0049    1
    4    3    1    3   -0.1943   -0.5837   -0.1976   -0.5890    0.0063    1
    5    0    2    3    0.0565   -0.2225    0.0566   -0.2258    0.0033    1
    6    1   -1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    0    2    6    0.1195   -0.5919    0.1201   -0.5972    0.0053    1
    8   -1    1    2    0.1426   -0.2191    0.1441   -0.2219    0.0032    1
    9    6   -2   -3   -0.1922    0.0493   -0.1940    0.0483    0.0021    1
   10   -3    1    3    0.2242   -0.1273    0.2267   -0.1283    0.0027    1
   11   -3    1    6    0.5311   -0.6109    0.5314   -0.6143    0.0033    1
   12    5   -1   -2   -0.1955   -0.0008   -0.1815   -0.0378    0.0396    0
   13   -7    1    5    0.2101   -0.0271    0.1981   -0.0091    0.0216    0
   14   -7    1    7    0.4752   -0.1564    0.5323   -0.1459    0.0580    0
   15    2    0    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    0    2    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -2    0    3    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -7   -1    2    0.0238    0.0190    0.0407    0.0272    0.0189    0
   20   -7   -1    5    0.5333    0.2151    0.4436    0.1639    0.1034    0
   21    3    1    0   -0.0341   -0.0583   -0.0357   -0.0605    0.0027    1
   22   -6   -2    3    0.2939    0.3339    0.2970    0.3320    0.0036    1
   23   -1   -1    0    0.0324    0.2681    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1    0   -0.7280   -0.0548   -0.7289   -0.0565    0.0020    1
    2    1    1    1   -0.0135   -0.1773   -0.0133   -0.1793    0.0020    1
    3    0   -4   -3   -0.0252    0.0854   -0.0241    0.0824    0.0032    1
    4    3    1    3   -0.1967   -0.5873   -0.1976   -0.5890    0.0019    1
    5    0    2    3    0.0575   -0.2266    0.0566   -0.2258    0.0012    1
    6    1   -1   -1   -0.1044    0.1166   -0.1046    0.1173    0.0007    1
    7    0    2    6    0.1210   -0.5977    0.1201   -0.5972    0.0010    1
    8   -1    1    2    0.1454   -0.2221    0.1441   -0.2219    0.0013    1
    9    6   -2   -3   -0.1923    0.0482   -0.1940    0.0483    0.0017    1
   10   -3    1    3    0.2266   -0.1273    0.2267   -0.1283    0.0011    1
   11   -3    1    6    0.5365   -0.6118    0.5314   -0.6143    0.0057    1
   12    5   -1   -2   -0.1954   -0.0017   -0.1815   -0.0378    0.0387    0
   13   -7    1    5    0.2104   -0.0265    0.1981   -0.0091    0.0213    0
   14   -7    1    7    0.4764   -0.1546    0.5323   -0.1459    0.0566    0
   15    2    0    0   -0.3366   -0.2360   -0.3358   -0.2354    0.0010    1
   16   -2    0    1    0.1248    0.0352    0.1256    0.0356    0.0009    1
   17   -2    0    2    0.7259   -0.0789    0.7260   -0.0804    0.0014    1
   18   -2    0    3    1.0579   -0.5065    1.0655   -0.4953    0.0136    1
   19   -7   -1    2    0.0229    0.0177    0.0407    0.0272    0.0203    0
   20   -7   -1    5    0.5311    0.2119    0.4436    0.1639    0.0998    0
   21    3    1    0   -0.0352   -0.0602   -0.0357   -0.0605    0.0006    1
   22   -6   -2    3    0.2952    0.3299    0.2970    0.3320    0.0027    1
   23   -1   -1    0    0.0344    0.2672    0.0342    0.2676    0.0005    1

###            No.441                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7141    1.4194    1.0066   91.3872  125.2239   89.5074      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7576    1.3834    1.0105   90.0000  125.5047   90.0000      0.0000         1.7393    1.3690
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0186    0.0334    0.0213    0.0000    0.8485    0.0000      0.0000         0.0288    0.0228
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5812    0.0335    0.4137)
 a2 = (    0.3791    0.2389   -0.5440)
 a3 = (    0.3528    0.9746    0.6367)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5597    0.0419    0.4165) (    0.0039    0.0079    0.0051)
 a2 = (    0.3976    0.2313   -0.5576) (    0.0142    0.0066    0.0108)
 a3 = (    0.3309    0.9781    0.6417) (    0.0104    0.0205    0.0109)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  142.3165   77.0975 -165.9285    0.5139    0.5253    0.5162
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0074   -0.0022    0.0119      0.0023    0.0034    0.0131

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.6497         4.3808
# Chi-squares at the beginning and the end of the refinement
    1.6526    0.2424
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    0   -0.7094   -0.0409   -0.7289   -0.0565    0.0250    1
    2   -3    1    4   -0.0022   -0.1887   -0.0133   -0.1793    0.0145    1
    3    6   -2   -5   -0.0136    0.0725   -0.0241    0.0824    0.0144    1
    4    0    0    1   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5   -2    0    2    0.0543   -0.2238    0.0566   -0.2258    0.0030    1
    6    2    0   -1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -4   -2    5    0.1735   -0.5603    0.1201   -0.5972    0.0648    0
    8   -5   -1    4    0.1220   -0.2273    0.1441   -0.2219    0.0227    0
    9    6    2   -1   -0.1934    0.0147   -0.1940    0.0483    0.0336    0
   10   -4   -2    2    0.2258   -0.1270    0.2267   -0.1283    0.0016    1
   11   -1   -1    1    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12    4    2    0   -0.1769   -0.0351   -0.1815   -0.0378    0.0054    1
   13   -6   -4    2    0.2176   -0.0401    0.1981   -0.0091    0.0367    0
   14   -2   -2    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    4    2    2   -0.3334   -0.2253   -0.3358   -0.2354    0.0103    1
   16   -1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -4   -6    2    0.7332   -0.0719    0.7260   -0.0804    0.0111    1
   18   -2   -4    2    1.0886   -0.5113    1.0655   -0.4953    0.0281    1
   19    0   -4   -3    0.0316    0.0476    0.0407    0.0272    0.0223    0
   20   -2   -4    0    0.4394    0.1677    0.4436    0.1639    0.0057    1
   21    0    2    2   -0.0338   -0.0560   -0.0357   -0.0605    0.0049    1
   22    0   -6   -2    0.2919    0.3313    0.2970    0.3320    0.0051    1
   23    1   -1   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    0   -0.7385   -0.0569   -0.7289   -0.0565    0.0096    1
    2   -3    1    4   -0.0093   -0.1890   -0.0133   -0.1793    0.0104    1
    3    6   -2   -5   -0.0210    0.0740   -0.0241    0.0824    0.0090    1
    4    0    0    1   -0.2042   -0.5838   -0.1976   -0.5890    0.0083    1
    5   -2    0    2    0.0474   -0.2265    0.0566   -0.2258    0.0091    1
    6    2    0   -1   -0.1122    0.1167   -0.1046    0.1173    0.0076    1
    7   -4   -2    5    0.1733   -0.5601    0.1201   -0.5972    0.0648    0
    8   -5   -1    4    0.1166   -0.2319    0.1441   -0.2219    0.0293    0
    9    6    2   -1   -0.1982    0.0110   -0.1940    0.0483    0.0375    0
   10   -4   -2    2    0.2252   -0.1321    0.2267   -0.1283    0.0041    1
   11   -1   -1    1    0.5376   -0.6153    0.5314   -0.6143    0.0063    1
   12    4    2    0   -0.1793   -0.0379   -0.1815   -0.0378    0.0023    1
   13   -7   -5    2    0.2085   -0.0230    0.1981   -0.0091    0.0173    1
   14   -2   -2    1    0.5293   -0.1484    0.5323   -0.1459    0.0039    1
   15    4    2    2   -0.3365   -0.2325   -0.3358   -0.2354    0.0030    1
   16   -1   -1    0    0.1273    0.0363    0.1256    0.0356    0.0019    1
   17   -4   -6    2    0.7241   -0.0760    0.7260   -0.0804    0.0047    1
   18   -2   -4    2    1.0583   -0.4949    1.0655   -0.4953    0.0072    1
   19    0   -4   -3    0.0288    0.0519    0.0407    0.0272    0.0274    0
   20   -2   -4    0    0.4402    0.1645    0.4436    0.1639    0.0035    1
   21    0    2    2   -0.0377   -0.0525   -0.0357   -0.0605    0.0083    1
   22    0   -6   -2    0.2960    0.3308    0.2970    0.3320    0.0016    1
   23    1   -1   -1    0.0324    0.2734    0.0342    0.2676    0.0061    1

###            No.442                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0778    2.2943    0.8525   90.1194  108.4217   90.3817      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0638    2.3189    0.8520   90.0000  107.9019   90.0000      0.0000         1.2486    2.7217
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0052    0.1041    0.0134    0.0000    0.8726    0.0000      0.0000         0.0177    0.1277
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2103   -0.9444   -0.1424)
 a2 = (   -0.0798    0.0778   -0.4214)
 a3 = (    1.0412   -0.5894   -0.3117)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2160   -0.9531   -0.1444) (    0.0101    0.0022    0.0062)
 a2 = (   -0.0772    0.0806   -0.4165) (    0.0060    0.0057    0.0180)
 a3 = (    1.0430   -0.5829   -0.3062) (    0.0182    0.0110    0.0102)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -171.3937  102.3349   79.0849    0.3744    0.4191    0.6416
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0002    0.0042   -0.0149      0.0031    0.0027    0.0463

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7891         4.2545
# Chi-squares at the beginning and the end of the refinement
    0.4972    0.2799
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    1   -0.7296   -0.0594   -0.7289   -0.0565    0.0030    1
    2   -4    0   -1    0.0092   -0.2014   -0.0133   -0.1793    0.0315    0
    3    2   -2    1   -0.0255    0.0859   -0.0241    0.0824    0.0038    1
    4   -1   -1    0   -0.1959   -0.5851   -0.1976   -0.5890    0.0043    1
    5   -2    0   -1    0.0567   -0.2265    0.0566   -0.2258    0.0007    1
    6    1   -3    2   -0.1051    0.1173   -0.1046    0.1173    0.0005    1
    7   -2   -2   -1    0.1183   -0.5962    0.1201   -0.5972    0.0020    1
    8   -2    0   -3    0.1594   -0.2157    0.1441   -0.2219    0.0166    1
    9   -1   -5    4   -0.1838    0.0694   -0.1940    0.0483    0.0234    0
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -3   -2    0.5314   -0.6151    0.5314   -0.6143    0.0008    1
   12   -1   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    2    0   -4    0.2076   -0.0212    0.1981   -0.0091    0.0154    1
   14    1   -3   -4    0.5296   -0.1511    0.5323   -0.1459    0.0058    1
   15   -2   -2    1   -0.3361   -0.2371   -0.3358   -0.2354    0.0017    1
   16    2    0   -2    0.1252    0.0355    0.1256    0.0356    0.0004    1
   17    1   -3   -3    0.6413   -0.1224    0.7260   -0.0804    0.0945    0
   18    0   -2   -1    1.0543   -0.5187    1.0655   -0.4953    0.0260    1
   19    5   -1   -2    0.0453    0.0537    0.0407    0.0272    0.0268    0
   20    1   -1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -4    0    1   -0.0354   -0.0600   -0.0357   -0.0605    0.0006    1
   22    2   -2   -1    0.2970    0.3319    0.2970    0.3320    0.0002    1
   23    1   -1    0    0.0343    0.2685    0.0342    0.2676    0.0009    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3    1   -0.7354   -0.0591   -0.7289   -0.0565    0.0070    1
    2   -4    0   -1    0.0081   -0.1995   -0.0133   -0.1793    0.0294    0
    3    2   -2    1   -0.0245    0.0883   -0.0241    0.0824    0.0059    1
    4   -1   -1    0   -0.1972   -0.5821   -0.1976   -0.5890    0.0069    1
    5   -2    0   -1    0.0560   -0.2246    0.0566   -0.2258    0.0013    1
    6    1   -3    2   -0.1055    0.1224   -0.1046    0.1173    0.0052    1
    7   -2   -2   -1    0.1174   -0.5953    0.1201   -0.5972    0.0033    1
    8   -2    0   -3    0.1599   -0.2129    0.1441   -0.2219    0.0183    1
    9   -1   -5    4   -0.1873    0.0740   -0.1940    0.0483    0.0266    0
   10    0    0   -1    0.2268   -0.1227    0.2267   -0.1283    0.0057    1
   11   -1   -3   -2    0.5372   -0.6115    0.5314   -0.6143    0.0064    1
   12   -1   -1    1   -0.1851   -0.0359   -0.1815   -0.0378    0.0040    1
   13    2    0   -4    0.2043   -0.0147    0.1981   -0.0091    0.0084    1
   14    1   -3   -4    0.5291   -0.1406    0.5323   -0.1459    0.0063    1
   15   -2   -2    1   -0.3370   -0.2360   -0.3358   -0.2354    0.0014    1
   16    2    0   -2    0.1198    0.0395    0.1256    0.0356    0.0070    1
   17    1   -3   -3    0.6392   -0.1096    0.7260   -0.0804    0.0916    0
   18    0   -2   -1    1.0618   -0.4998    1.0655   -0.4953    0.0059    1
   19    5   -1   -2    0.0414    0.0538    0.0407    0.0272    0.0266    0
   20    1   -1   -1    0.4333    0.1696    0.4436    0.1639    0.0117    1
   21   -4    0    1   -0.0376   -0.0591   -0.0357   -0.0605    0.0024    1
   22    2   -2   -1    0.2885    0.3288    0.2970    0.3320    0.0091    1
   23    1   -1    0    0.0350    0.2666    0.0342    0.2676    0.0013    1

###            No.444                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0915    1.7785    1.0946   90.2383  109.7467   89.9347      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0921    1.7803    1.0893   90.0000  109.1971   90.0000      0.0000         1.0026    1.6343
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0180    0.0517    0.0251    0.0000    2.7054    0.0000      0.0000         0.0256    0.0411
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1399    0.6313   -0.7276)
 a2 = (    0.4735   -0.2681   -0.1417)
 a3 = (   -0.4246   -0.3311   -0.8077)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1393    0.6293   -0.7244) (    0.0213    0.0153    0.0171)
 a2 = (    0.4734   -0.2674   -0.1413) (    0.0144    0.0091    0.0034)
 a3 = (   -0.4304   -0.3374   -0.8037) (    0.0141    0.0215    0.0217)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -108.6036  127.9736  -41.1603    0.3988    1.7452    0.6518
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0001   -0.0010      0.0025    0.0031    0.0475

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.8825         4.2482
# Chi-squares at the beginning and the end of the refinement
    0.0367    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2   -2   -0.7379   -0.0518   -0.7289   -0.0565    0.0101    1
    2    1   -1   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -4    6    2   -0.0254    0.0851   -0.0241    0.0824    0.0030    1
    4    1   -1   -2   -0.1963   -0.5945   -0.1976   -0.5890    0.0057    1
    5    2   -4   -2    0.0581   -0.2278    0.0566   -0.2258    0.0026    1
    6   -1    3    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1   -3   -2    0.1235   -0.6005    0.1201   -0.5972    0.0048    1
    8    1   -5   -1    0.1663   -0.2124    0.1441   -0.2219    0.0242    0
    9    0    6   -2   -0.1945    0.0499   -0.1940    0.0483    0.0016    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -6   -2    0.5384   -0.6137    0.5314   -0.6143    0.0070    1
   12    1    3   -2   -0.1844   -0.0374   -0.1815   -0.0378    0.0028    1
   13   -1   -5    1    0.2109   -0.0272    0.1981   -0.0091    0.0221    0
   14   -1   -5    0    0.5304   -0.1500    0.5323   -0.1459    0.0045    1
   15    1    1   -2   -0.3420   -0.2398   -0.3358   -0.2354    0.0076    1
   16   -2   -4    2    0.1246    0.0351    0.1256    0.0356    0.0011    1
   17   -1   -3    0    0.7298   -0.0809    0.7260   -0.0804    0.0038    1
   18   -1   -5   -1    0.8623   -0.4306    1.0655   -0.4953    0.2132    0
   19   -1   -1    1    0.0410    0.0274    0.0407    0.0272    0.0004    1
   20   -4   -6    2    0.4436    0.1648    0.4436    0.1639    0.0010    1
   21    2    0   -2   -0.0363   -0.0619   -0.0357   -0.0605    0.0015    1
   22   -4   -2    2    0.2956    0.3327    0.2970    0.3320    0.0015    1
   23   -4    2    2    0.0332    0.2675    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2   -2   -0.7288   -0.0564   -0.7289   -0.0565    0.0002    1
    2    1   -1   -1   -0.0134   -0.1777   -0.0133   -0.1793    0.0016    1
    3   -4    6    2   -0.0247    0.0851   -0.0241    0.0824    0.0027    1
    4    1   -1   -2   -0.1961   -0.5864   -0.1976   -0.5890    0.0030    1
    5    2   -4   -2    0.0575   -0.2268    0.0566   -0.2258    0.0013    1
    6   -1    3    0   -0.1040    0.1169   -0.1046    0.1173    0.0008    1
    7    1   -3   -2    0.1196   -0.5971    0.1201   -0.5972    0.0005    1
    8    1   -5   -1    0.1661   -0.2121    0.1441   -0.2219    0.0241    0
    9    0    6   -2   -0.1928    0.0487   -0.1940    0.0483    0.0013    1
   10    0   -2    0    0.2270   -0.1278    0.2267   -0.1283    0.0006    1
   11    0   -6   -2    0.5343   -0.6145    0.5314   -0.6143    0.0029    1
   12    1    3   -2   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -1   -5    1    0.2109   -0.0264    0.1981   -0.0091    0.0215    0
   14   -1   -5    0    0.5298   -0.1493    0.5323   -0.1459    0.0042    1
   15    1    1   -2   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16   -2   -4    2    0.1246    0.0355    0.1256    0.0356    0.0010    1
   17   -1   -3    0    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18   -1   -5   -1    0.8601   -0.4326    1.0655   -0.4953    0.2147    0
   19   -1   -1    1    0.0415    0.0277    0.0407    0.0272    0.0009    1
   20   -4   -6    2    0.4417    0.1647    0.4436    0.1639    0.0020    1
   21    2    0   -2   -0.0354   -0.0608   -0.0357   -0.0605    0.0004    1
   22   -4   -2    2    0.2947    0.3308    0.2970    0.3320    0.0026    1
   23   -4    2    2    0.0342    0.2666    0.0342    0.2676    0.0011    1

###            No.445                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0934    1.7743    1.0927   90.1408  109.3535   90.4529      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0921    1.7803    1.0893   90.0000  109.1971   90.0000      0.0000         1.0026    1.6343
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0180    0.0517    0.0251    0.0000    2.7054    0.0000      0.0000         0.0256    0.0411
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1323   -0.6339    0.7214)
 a2 = (    0.4746   -0.2687   -0.1421)
 a3 = (    0.4336    0.3308    0.8021)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1393   -0.6293    0.7244) (    0.0213    0.0153    0.0171)
 a2 = (    0.4734   -0.2674   -0.1413) (    0.0144    0.0091    0.0034)
 a3 = (    0.4304    0.3374    0.8037) (    0.0141    0.0215    0.0217)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  108.6036   52.0264  138.8397    0.3988    1.7452    0.6518
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0001   -0.0010      0.0025    0.0031    0.0475

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9406         4.2482
# Chi-squares at the beginning and the end of the refinement
    0.1441    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    2   -0.7234   -0.0494   -0.7289   -0.0565    0.0090    1
    2   -1   -1    1   -0.0133   -0.1797   -0.0133   -0.1793    0.0004    1
    3    4    6   -2   -0.0247    0.0817   -0.0241    0.0824    0.0009    1
    4   -1   -1    2   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -2   -4    2    0.0582   -0.2281    0.0566   -0.2258    0.0028    1
    6    1    3    0   -0.1019    0.1136   -0.1046    0.1173    0.0046    1
    7   -1   -3    2    0.1209   -0.5985    0.1201   -0.5972    0.0016    1
    8   -1   -5    1    0.1664   -0.2125    0.1441   -0.2219    0.0242    0
    9    0    6    2   -0.1899    0.0486   -0.1940    0.0483    0.0041    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -6    2    0.5351   -0.6143    0.5314   -0.6143    0.0037    1
   12   -1    3    2   -0.1810   -0.0366   -0.1815   -0.0378    0.0013    1
   13    1   -5   -1    0.2107   -0.0272    0.1981   -0.0091    0.0220    0
   14    1   -5    0    0.5290   -0.1498    0.5323   -0.1459    0.0051    1
   15   -1    1    2   -0.3384   -0.2357   -0.3358   -0.2354    0.0026    1
   16    2   -4   -2    0.1244    0.0351    0.1256    0.0356    0.0013    1
   17    1   -3    0    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18    1   -5    1    0.8611   -0.4324    1.0655   -0.4953    0.2138    0
   19    1   -1   -1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    4   -6   -2    0.4412    0.1648    0.4436    0.1639    0.0025    1
   21   -2    0    2   -0.0365   -0.0623   -0.0357   -0.0605    0.0019    1
   22    4   -2   -2    0.2920    0.3311    0.2970    0.3320    0.0051    1
   23    4    2   -2    0.0315    0.2632    0.0342    0.2676    0.0051    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    2   -0.7288   -0.0564   -0.7289   -0.0565    0.0002    1
    2   -1   -1    1   -0.0134   -0.1777   -0.0133   -0.1793    0.0016    1
    3    4    6   -2   -0.0247    0.0851   -0.0241    0.0824    0.0027    1
    4   -1   -1    2   -0.1961   -0.5864   -0.1976   -0.5890    0.0030    1
    5   -2   -4    2    0.0575   -0.2268    0.0566   -0.2258    0.0013    1
    6    1    3    0   -0.1040    0.1169   -0.1046    0.1173    0.0008    1
    7   -1   -3    2    0.1196   -0.5971    0.1201   -0.5972    0.0005    1
    8   -1   -5    1    0.1661   -0.2121    0.1441   -0.2219    0.0241    0
    9    0    6    2   -0.1928    0.0487   -0.1940    0.0483    0.0013    1
   10    0   -2    0    0.2270   -0.1278    0.2267   -0.1283    0.0006    1
   11    0   -6    2    0.5343   -0.6145    0.5314   -0.6143    0.0029    1
   12   -1    3    2   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    1   -5   -1    0.2109   -0.0264    0.1981   -0.0091    0.0215    0
   14    1   -5    0    0.5298   -0.1493    0.5323   -0.1459    0.0042    1
   15   -1    1    2   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    2   -4   -2    0.1246    0.0355    0.1256    0.0356    0.0010    1
   17    1   -3    0    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18    1   -5    1    0.8601   -0.4326    1.0655   -0.4953    0.2147    0
   19    1   -1   -1    0.0415    0.0277    0.0407    0.0272    0.0009    1
   20    4   -6   -2    0.4417    0.1647    0.4436    0.1639    0.0020    1
   21   -2    0    2   -0.0354   -0.0608   -0.0357   -0.0605    0.0004    1
   22    4   -2   -2    0.2947    0.3308    0.2970    0.3320    0.0026    1
   23    4    2   -2    0.0342    0.2666    0.0342    0.2676    0.0011    1

###            No.446                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2737    1.7741    1.0838   89.7350  125.2542   90.3791      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2316    1.8037    1.0791   90.0000  123.4546   90.0000      0.0000         1.1414    1.6716
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0716    0.0871    0.0282    0.0000    5.0422    0.0000      0.0000         0.0488    0.1075
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6096   -0.4150    0.6169)
 a2 = (   -0.2855   -0.4844   -0.0395)
 a3 = (    0.9523   -0.5367   -0.2857)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6061   -0.4111    0.6408) (    0.0364    0.0138    0.0426)
 a2 = (   -0.2809   -0.4763   -0.0399) (    0.0132    0.0236    0.0026)
 a3 = (    0.9338   -0.5264   -0.2911) (    0.0462    0.0281    0.0214)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   96.2322  138.5178   64.1474    0.3848    3.3637    0.5697
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
             97            400
# Figure of merit at the beginning and the end of the refinement
        22.9573         4.2333
# Chi-squares at the beginning and the end of the refinement
    0.0818    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -4   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1    3    1   -0.0239    0.0814   -0.0241    0.0824    0.0010    1
    4    1   -3   -1   -0.1912   -0.5860   -0.1976   -0.5890    0.0071    1
    5    0   -2   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    1    1   -0.1008    0.1134   -0.1046    0.1173    0.0054    1
    7    1   -3   -2    0.1232   -0.5933    0.1201   -0.5972    0.0049    1
    8    0   -2   -2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1   -1    1   -0.1886    0.0477   -0.1940    0.0483    0.0055    1
   10    0    0   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1   -1   -2    0.5331   -0.6035    0.5314   -0.6143    0.0109    1
   12    1   -3    1   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13    0    2   -2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    1    1   -3    0.5250   -0.1473    0.5323   -0.1459    0.0074    1
   15    1   -3    0   -0.3341   -0.2366   -0.3358   -0.2354    0.0021    1
   16    0    2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1   -2    0.7181   -0.0791    0.7260   -0.0804    0.0080    1
   18    2    0   -3    1.0406   -0.4957    1.0655   -0.4953    0.0249    1
   19    0    4   -1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    1    3   -2    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21    0   -2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    3   -1    0.2928    0.3251    0.2970    0.3320    0.0081    1
   23    1    3    0    0.0347    0.2622    0.0342    0.2676    0.0055    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    0   -4   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1    3    1   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    1   -3   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0   -2   -1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    1    1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    1   -3   -2    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    0   -2   -2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    1   -1    1   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    1   -1   -2    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12    1   -3    1   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0    2   -2    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1    1   -3    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15    1   -3    0   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0    2   -1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    1    1   -2    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    3    1   -5    0.9400   -0.2773    1.0655   -0.4953    0.2515    0
   19    0    4   -1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    1    3   -2    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0   -2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1    3   -1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23    1    3    0    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.448                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2687    1.7758    1.0802   89.7480  124.7312   90.3755      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2316    1.8037    1.0791   90.0000  123.4546   90.0000      0.0000         1.1414    1.6716
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0716    0.0871    0.0282    0.0000    5.0422    0.0000      0.0000         0.0488    0.1075
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6072    0.4032   -0.6234)
 a2 = (   -0.2853   -0.4839   -0.0395)
 a3 = (   -0.9486    0.5370    0.2840)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6061    0.4111   -0.6408) (    0.0364    0.0138    0.0426)
 a2 = (   -0.2809   -0.4763   -0.0399) (    0.0132    0.0236    0.0026)
 a3 = (   -0.9338    0.5264    0.2911) (    0.0462    0.0281    0.0214)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -96.2322   41.4822 -115.8526    0.3848    3.3637    0.5697
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
             91            400
# Figure of merit at the beginning and the end of the refinement
        23.8349         4.2333
# Chi-squares at the beginning and the end of the refinement
    0.1016    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7367   -0.0666   -0.7289   -0.0565    0.0128    1
    2    0   -4    1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1    3   -1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -1   -3    1   -0.1899   -0.5853   -0.1976   -0.5890    0.0085    1
    5    0   -2    1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6   -1    1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1   -3    2    0.1211   -0.5922    0.1201   -0.5972    0.0050    1
    8    0   -2    2    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9   -1   -1   -1   -0.1939    0.0481   -0.1940    0.0483    0.0003    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1    2    0.5278   -0.6066    0.5314   -0.6143    0.0085    1
   12   -1   -3   -1   -0.1817   -0.0385   -0.1815   -0.0378    0.0008    1
   13    0    2    2    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14   -1    1    3    0.5257   -0.1508    0.5323   -0.1459    0.0082    1
   15   -1   -3    0   -0.3350   -0.2401   -0.3358   -0.2354    0.0048    1
   16    0    2    1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17   -1    1    2    0.7211   -0.0855    0.7260   -0.0804    0.0072    1
   18   -2    0    3    1.0348   -0.5103    1.0655   -0.4953    0.0342    1
   19    0    4    1    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -1    3    2    0.4415    0.1607    0.4436    0.1639    0.0037    1
   21    0   -2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3    1    0.2979    0.3280    0.2970    0.3320    0.0041    1
   23   -1    3    0    0.0358    0.2674    0.0342    0.2676    0.0017    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    0   -4    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1    3   -1   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4   -1   -3    1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0   -2    1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    1   -1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -1   -3    2    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    0   -2    2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -1   -1   -1   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11   -1   -1    2    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12   -1   -3   -1   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0    2    2    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1    1    3    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15   -1   -3    0   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0    2    1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17   -1    1    2    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18   -3    1    5    0.9400   -0.2773    1.0655   -0.4953    0.2515    0
   19    0    4    1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20   -1    3    2    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0   -2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1    3    1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23   -1    3    0    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.453                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2580    1.7834    1.0884   89.3953  124.9944   91.1184      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2316    1.8037    1.1027   90.0000  125.2720   90.0000      0.0000         1.1169    1.6357
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0145    0.1800    0.1006    0.0000    0.9554    0.0000      0.0000         0.1053    0.0298
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3300   -0.1050   -0.9066)
 a2 = (    0.2846    0.4817    0.0379)
 a3 = (    0.9445   -0.5347   -0.2827)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3277   -0.1153   -0.9319) (    0.0282    0.0214    0.0125)
 a2 = (    0.2809    0.4763    0.0399) (    0.0273    0.0483    0.0030)
 a3 = (    0.9338   -0.5264   -0.2911) (    0.0949    0.0552    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -85.6117   70.0138   57.9679    0.3298    2.1492    0.3908
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
             75            400
# Figure of merit at the beginning and the end of the refinement
        33.6423         4.2333
# Chi-squares at the beginning and the end of the refinement
    0.3456    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7336   -0.0424   -0.7289   -0.0565    0.0148    1
    2    0    4   -1   -0.0138   -0.1754   -0.0133   -0.1793    0.0039    1
    3   -1   -3    2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1    3    0   -0.1996   -0.5908   -0.1976   -0.5890    0.0027    1
    5    0    2   -1    0.0564   -0.2252    0.0566   -0.2258    0.0006    1
    6   -1   -1    2   -0.1040    0.1180   -0.1046    0.1173    0.0010    1
    7   -1    3   -1    0.1212   -0.6006    0.1201   -0.5972    0.0036    1
    8    0    2   -2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1    1    2   -0.1924    0.0504   -0.1940    0.0483    0.0026    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1   -1    0.5429   -0.6151    0.5314   -0.6143    0.0115    1
   12   -1    3    2   -0.1813   -0.0361   -0.1815   -0.0378    0.0017    1
   13    0   -2   -2    0.1988   -0.0086    0.1981   -0.0091    0.0009    1
   14   -1   -1   -2    0.5321   -0.1472    0.5323   -0.1459    0.0013    1
   15   -1    3    1   -0.3398   -0.2350   -0.3358   -0.2354    0.0041    1
   16    0   -2   -1    0.1265    0.0358    0.1256    0.0356    0.0009    1
   17   -1   -1   -1    0.7310   -0.0741    0.7260   -0.0804    0.0080    1
   18   -2    0   -1    1.0747   -0.4988    1.0655   -0.4953    0.0099    1
   19    0   -4   -1    0.0435    0.0290    0.0407    0.0272    0.0033    1
   20   -1   -3   -1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    2    0   -0.0345   -0.0584   -0.0357   -0.0605    0.0024    1
   22   -1   -3    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1   -3    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    0    4   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -3    2   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4   -1    3    0   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0    2   -1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1   -1    2   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -1    3   -1    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    0    2   -2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -1    1    2   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11   -1    1   -1    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12   -1    3    2   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0   -2   -2    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1   -1   -2    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15   -1    3    1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0   -2   -1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17   -1   -1   -1    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18   -3   -1   -2    0.9400   -0.2773    1.0655   -0.4953    0.2515    0
   19    0   -4   -1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20   -1   -3   -1    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1   -3    0    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23   -1   -3    1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.455                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2563    1.7849    1.0869   89.4016  124.8395   91.0934      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2316    1.8037    1.1027   90.0000  125.2720   90.0000      0.0000         1.1169    1.6357
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0145    0.1800    0.1006    0.0000    0.9554    0.0000      0.0000         0.1053    0.0298
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3126    0.1292    0.9091)
 a2 = (    0.2839    0.4816    0.0387)
 a3 = (   -0.9440    0.5344    0.2826)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3277    0.1153    0.9319) (    0.0282    0.0214    0.0125)
 a2 = (    0.2809    0.4763    0.0399) (    0.0273    0.0483    0.0030)
 a3 = (   -0.9338    0.5264    0.2911) (    0.0949    0.0552    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   85.6117  109.9862 -122.0321    0.3298    2.1492    0.3908
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
             69            400
# Figure of merit at the beginning and the end of the refinement
        23.4273         4.2333
# Chi-squares at the beginning and the end of the refinement
    0.5894    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7218   -0.0603   -0.7289   -0.0565    0.0080    1
    2    0    4    1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    1   -3   -2   -0.0265    0.0875   -0.0241    0.0824    0.0056    1
    4    1    3    0   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    0    2    1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    1   -1   -2   -0.1069    0.1176   -0.1046    0.1173    0.0023    1
    7    1    3    1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    0    2    2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    1    1   -2   -0.1940    0.0478   -0.1940    0.0483    0.0005    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    1    0.5301   -0.6241    0.5314   -0.6143    0.0099    1
   12    1    3   -2   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0   -2    2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    1   -1    2    0.5334   -0.1538    0.5323   -0.1459    0.0080    1
   15    1    3   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    1    0.7381   -0.0872    0.7260   -0.0804    0.0139    1
   18    2    0    1    1.0664   -0.5388    1.0655   -0.4953    0.0436    1
   19    0   -4    1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    1   -3    1    0.4486    0.1662    0.4436    0.1639    0.0055    1
   21    0    2    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    1   -3    0    0.2991    0.3380    0.2970    0.3320    0.0064    1
   23    1   -3   -1    0.0324    0.2720    0.0342    0.2676    0.0047    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    0    4    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -3   -2   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    1    3    0   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0    2    1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    1   -1   -2   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    1    3    1    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    0    2    2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    1    1   -2   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    1    1    1    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12    1    3   -2   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0   -2    2    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1   -1    2    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15    1    3   -1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0   -2    1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    1   -1    1    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    3   -1    2    0.9400   -0.2773    1.0655   -0.4953    0.2515    0
   19    0   -4    1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    1   -3    1    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1   -3    0    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23    1   -3   -1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.470                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    2.1972    0.6920    1.3868   89.9051  108.4531   90.4483      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    2.2005    0.6926    1.3828   90.0000  108.3880   90.0000      0.0000         1.5913    0.5009
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0177    0.0296    0.0640    0.0000    1.3869    0.0000      0.0000         0.0720    0.0075
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0877    0.0856   -0.4639)
 a2 = (    0.3449   -1.3644   -0.3284)
 a3 = (   -0.7318   -0.1523   -0.1386)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0879    0.0889   -0.4623) (    0.0102    0.0050    0.0015)
 a2 = (    0.3430   -1.3637   -0.3274) (    0.0173    0.0602    0.0089)
 a3 = (   -0.7339   -0.1514   -0.1385) (    0.0338    0.0104    0.0042)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2202   82.5697  -74.1398    0.4308    1.2568    0.4650
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.0312         4.1896
# Chi-squares at the beginning and the end of the refinement
    0.1134    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0   -2   -0.7304   -0.0595   -0.7289   -0.0565    0.0033    1
    2    1   -3   -2   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    1    0   -0.0256    0.0858   -0.0241    0.0824    0.0037    1
    4   -1   -1   -1   -0.1943   -0.5860   -0.1976   -0.5890    0.0044    1
    5    0   -2    0    0.0572   -0.2262    0.0566   -0.2258    0.0008    1
    6   -1    1   -1   -0.1050    0.1170   -0.1046    0.1173    0.0005    1
    7   -1   -1    0    0.1198   -0.5955    0.1201   -0.5972    0.0017    1
    8   -1   -3    2    0.1447   -0.2223    0.1441   -0.2219    0.0007    1
    9   -1    1   -4   -0.1933    0.0484   -0.1940    0.0483    0.0008    1
   10   -1   -1    2    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -4   -2    2    0.5313   -0.6137    0.5314   -0.6143    0.0006    1
   12    0    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3   -1    6    0.1983   -0.0086    0.1981   -0.0091    0.0005    1
   14   -3   -1    3    0.5296   -0.1513    0.5323   -0.1459    0.0060    1
   15   -1   -1   -4   -0.3363   -0.2378   -0.3358   -0.2354    0.0024    1
   16   -2    0    4    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -5   -1    4    0.7292   -0.0842    0.7260   -0.0804    0.0050    1
   18   -6   -2    3    0.8242   -0.6144    1.0655   -0.4953    0.2691    0
   19   -3    1    6    0.0423    0.0283    0.0407    0.0272    0.0019    1
   20   -2    0    2    0.4444    0.1642    0.4436    0.1639    0.0009    1
   21    1   -1   -2   -0.0353   -0.0600   -0.0357   -0.0605    0.0006    1
   22   -5    1    4    0.2972    0.3330    0.2970    0.3320    0.0010    1
   23   -4    2    2    0.0337    0.2688    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0   -2   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2    1   -3   -2   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -1   -1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0   -2    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1   -1    0    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1   -3    2    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9   -1    1   -4   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1    2    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -4   -2    2    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12    0    0   -1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -3   -1    6    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -3   -1    3    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15   -1   -1   -4   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16   -2    0    4    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17   -5   -1    4    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18   -6   -2    3    0.8297   -0.6117    1.0655   -0.4953    0.2629    0
   19   -3    1    6    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -2    0    2    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1   -2   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -5    1    4    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23   -4    2    2    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.471                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5531    1.5525    0.9165   90.8381  115.1553   89.9366      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5537    1.5543    0.9136   90.0000  114.9668   90.0000      0.0000         1.7007    1.7013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0156    0.0273    0.0418    0.0000    1.2364    0.0000      0.0000         0.0797    0.0754
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2742    0.6083   -0.2466)
 a2 = (    0.5419   -0.3068   -0.1648)
 a3 = (   -0.2079    0.2199   -1.1670)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2707    0.6084   -0.2462) (    0.0083    0.0024    0.0113)
 a2 = (    0.5420   -0.3066   -0.1617) (    0.0099    0.0065    0.0059)
 a3 = (   -0.2224    0.2218   -1.1659) (    0.0278    0.0193    0.0536)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -125.9334  154.6395  -62.7169    0.8235    1.0770    1.0327
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0000   -0.0017      0.0025    0.0031    0.0477

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7774         4.1207
# Chi-squares at the beginning and the end of the refinement
    0.0605    0.0068
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7333   -0.0584   -0.7289   -0.0565    0.0048    1
    2    4   -2   -1   -0.0140   -0.1793   -0.0133   -0.1793    0.0007    1
    3   -1    1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    6   -2   -3   -0.1936   -0.5887   -0.1976   -0.5890    0.0041    1
    5    4   -4   -1    0.0576   -0.2296    0.0566   -0.2258    0.0039    1
    6   -2    6   -1   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7    2   -2   -1    0.1217   -0.5983    0.1201   -0.5972    0.0020    1
    8    4   -6   -1    0.1125   -0.2343    0.1441   -0.2219    0.0339    0
    9    1    3   -1   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10    0   -2    0    0.2302   -0.1303    0.2267   -0.1283    0.0041    1
   11    1   -3   -1    0.5356   -0.6129    0.5314   -0.6143    0.0044    1
   12    2    2   -1   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13   -4   -6    1    0.1762    0.0144    0.1981   -0.0091    0.0322    0
   14   -1   -7   -1    0.5955   -0.2036    0.5323   -0.1459    0.0855    0
   15    6    2   -3   -0.3359   -0.2381   -0.3358   -0.2354    0.0027    1
   16   -4   -4    1    0.1275    0.0362    0.1256    0.0356    0.0020    1
   17   -2   -6   -1    0.7282   -0.0820    0.7260   -0.0804    0.0027    1
   18    0   -6   -2    0.9418   -0.4653    1.0655   -0.4953    0.1273    0
   19   -4   -2    1    0.0431    0.0288    0.0407    0.0272    0.0028    1
   20   -1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    4    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3   -1    0    0.2963    0.3296    0.2970    0.3320    0.0025    1
   23   -3    1    0    0.0349    0.2652    0.0342    0.2676    0.0025    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7287   -0.0563   -0.7289   -0.0565    0.0003    1
    2    4   -2   -1   -0.0135   -0.1778   -0.0133   -0.1793    0.0015    1
    3   -1    1    0   -0.0248    0.0850   -0.0241    0.0824    0.0027    1
    4    6   -2   -3   -0.1963   -0.5865   -0.1976   -0.5890    0.0028    1
    5    4   -4   -1    0.0574   -0.2269    0.0566   -0.2258    0.0014    1
    6   -2    6   -1   -0.1040    0.1167   -0.1046    0.1173    0.0008    1
    7    2   -2   -1    0.1194   -0.5972    0.1201   -0.5972    0.0007    1
    8    4   -6   -1    0.1116   -0.2313    0.1441   -0.2219    0.0338    0
    9    1    3   -1   -0.1927    0.0486   -0.1940    0.0483    0.0014    1
   10    0   -2    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -3   -1    0.5336   -0.6147    0.5314   -0.6143    0.0022    1
   12    2    2   -1   -0.1815   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -4   -6    1    0.1728    0.0141    0.1981   -0.0091    0.0343    0
   14   -1   -7   -1    0.5940   -0.2033    0.5323   -0.1459    0.0843    0
   15    6    2   -3   -0.3367   -0.2369   -0.3358   -0.2354    0.0017    1
   16   -4   -4    1    0.1248    0.0353    0.1256    0.0356    0.0009    1
   17   -2   -6   -1    0.7286   -0.0818    0.7260   -0.0804    0.0029    1
   18    0   -6   -2    0.9451   -0.4697    1.0655   -0.4953    0.1231    0
   19   -4   -2    1    0.0417    0.0276    0.0407    0.0272    0.0010    1
   20   -1   -1    0    0.4423    0.1641    0.4436    0.1639    0.0013    1
   21    4    0   -1   -0.0354   -0.0608   -0.0357   -0.0605    0.0004    1
   22   -3   -1    0    0.2955    0.3308    0.2970    0.3320    0.0019    1
   23   -3    1    0    0.0343    0.2668    0.0342    0.2676    0.0009    1

###            No.474                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6011    2.6209    1.3030   91.8835  102.8668   89.9302      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6054    2.5701    1.3201   90.0000  103.1589   90.0000      0.0000         0.4586    1.9468
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0026    0.0633    0.0310    0.0000    1.0464    0.0000      0.0000         0.0102    0.0550
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1801    1.6949    0.0846)
 a2 = (    0.3073    0.0238    0.2253)
 a3 = (    0.4493    0.2541   -0.5950)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1806    1.6851    0.0751) (    0.0160    0.0019    0.0098)
 a2 = (    0.3129    0.0233    0.2301) (    0.0092    0.0033    0.0044)
 a3 = (    0.4242    0.2506   -0.6020) (    0.0140    0.0098    0.0138)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    4.2789  143.6191   99.5636    0.5587    0.5667    0.8256
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0023      0.0025    0.0033    0.0172

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.7402         4.0966
# Chi-squares at the beginning and the end of the refinement
    0.4123    0.0082
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    1    0   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -1    1    0   -0.0226    0.0776   -0.0241    0.0824    0.0050    1
    4    2    6   -1   -0.1851   -0.5870   -0.1976   -0.5890    0.0127    1
    5    2    0   -1    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6   -2    6    1   -0.0975    0.1100   -0.1046    0.1173    0.0102    1
    7    1    1   -1    0.1296   -0.5893    0.1201   -0.5972    0.0124    1
    8    1   -1   -1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9   -1    5    1   -0.1504    0.0918   -0.1940    0.0483    0.0616    0
   10    1   -3   -2    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11    2    0   -4    0.5346   -0.5881    0.5314   -0.6143    0.0264    1
   12    0    4    1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -7   -4    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14    1   -3   -4    0.5910   -0.1238    0.5323   -0.1459    0.0628    0
   15    1    7    1   -0.2498   -0.2184   -0.3358   -0.2354    0.0876    0
   16    0   -2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3   -5    0.7040   -0.0742    0.7260   -0.0804    0.0229    1
   18    2    0   -7    1.0207   -0.4691    1.0655   -0.4953    0.0518    0
   19   -2   -6   -3    0.0282    0.0428    0.0407    0.0272    0.0200    0
   20    0   -2   -2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    3    1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22   -1   -3   -4    0.2897    0.3176    0.2970    0.3320    0.0161    1
   23   -2    0   -2    0.0355    0.2570    0.0342    0.2676    0.0108    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7295   -0.0546   -0.7289   -0.0565    0.0020    1
    2    1    1    0   -0.0133   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -1    1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2    6   -1   -0.1962   -0.5873   -0.1976   -0.5890    0.0022    1
    5    2    0   -1    0.0573   -0.2265    0.0566   -0.2258    0.0011    1
    6   -2    6    1   -0.1042    0.1168   -0.1046    0.1173    0.0007    1
    7    1    1   -1    0.1199   -0.5972    0.1201   -0.5972    0.0002    1
    8    1   -1   -1    0.1448   -0.2223    0.1441   -0.2219    0.0008    1
    9   -1    5    1   -0.1587    0.0964   -0.1940    0.0483    0.0597    0
   10    1   -3   -2    0.2264   -0.1283    0.2267   -0.1283    0.0003    1
   11    2    0   -4    0.5340   -0.6143    0.5314   -0.6143    0.0026    1
   12    0    4    1   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    1   -7   -4    0.2109   -0.0272    0.1981   -0.0091    0.0221    0
   14    1   -3   -4    0.6068   -0.1323    0.5323   -0.1459    0.0757    0
   15    1    7    1   -0.2545   -0.2201   -0.3358   -0.2354    0.0827    0
   16    0   -2   -1    0.1251    0.0350    0.1256    0.0356    0.0008    1
   17    1   -3   -5    0.7286   -0.0817    0.7260   -0.0804    0.0030    1
   18    2    0   -7    1.0585   -0.5138    1.0655   -0.4953    0.0198    1
   19   -1   -7   -3    0.0228    0.0175    0.0407    0.0272    0.0204    0
   20    0   -2   -2    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21    1    3    1   -0.0352   -0.0606   -0.0357   -0.0605    0.0005    1
   22   -1   -3   -4    0.2956    0.3313    0.2970    0.3320    0.0016    1
   23   -2    0   -2    0.0341    0.2671    0.0342    0.2676    0.0006    1

###            No.477                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0909    1.7850    1.0891   90.1355  109.4247   90.3975      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0910    1.7765    1.0916   90.0000  109.0347   90.0000      0.0000         0.9995    1.6274
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0500    0.1095    0.0492    0.0000    7.6168    0.0000      0.0000         0.0860    0.1584
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6131    0.4217   -0.6254)
 a2 = (    0.2838    0.4814    0.0393)
 a3 = (    0.3325   -0.1163   -0.9077)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6183    0.4150   -0.6210) (    0.0504    0.0184    0.0619)
 a2 = (    0.2855    0.4836    0.0389) (    0.0173    0.0305    0.0032)
 a3 = (    0.3296   -0.1219   -0.9031) (    0.0212    0.0213    0.0928)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -83.8362  139.8970   64.1668    0.4189    4.8078    0.6666
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003   -0.0052      0.0033    0.0025    0.1631

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.6462         3.8920
# Chi-squares at the beginning and the end of the refinement
    0.0982    0.0068
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7378   -0.0492   -0.7289   -0.0565    0.0115    1
    2    1    5   -1   -0.0255   -0.1584   -0.0133   -0.1793    0.0242    0
    3   -4   -6    2   -0.0254    0.0862   -0.0241    0.0824    0.0040    1
    4    0    6   -2   -0.1967   -0.5917   -0.1976   -0.5890    0.0029    1
    5    2    4   -2    0.0569   -0.2261    0.0566   -0.2258    0.0005    1
    6   -4   -2    2   -0.1046    0.1182   -0.1046    0.1173    0.0010    1
    7    1    3   -2    0.1217   -0.5985    0.1201   -0.5972    0.0020    1
    8    1    1   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -4    2    2   -0.1944    0.0505   -0.1940    0.0483    0.0022    1
   10    2    0   -2    0.2256   -0.1283    0.2267   -0.1283    0.0011    1
   11    1    1   -2    0.5364   -0.6128    0.5314   -0.6143    0.0052    1
   12   -4    6    2   -0.1838   -0.0370   -0.1815   -0.0378    0.0024    1
   13    1   -1   -1    0.1973   -0.0091    0.1981   -0.0091    0.0008    1
   14    3   -1   -4    0.4393   -0.1589    0.5323   -0.1459    0.0939    0
   15   -1    3    0   -0.3411   -0.2382   -0.3358   -0.2354    0.0060    1
   16    2   -4   -2    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1   -1   -2    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    2    0   -5    0.9155   -0.4516    1.0655   -0.4953    0.1562    0
   19    1   -5   -1    0.0224    0.0177    0.0407    0.0272    0.0207    0
   20    1   -3   -2    0.4426    0.1642    0.4436    0.1639    0.0010    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -6   -2    0.2955    0.3314    0.2970    0.3320    0.0016    1
   23   -1   -3    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7295   -0.0557   -0.7289   -0.0565    0.0010    1
    2    1    5   -1   -0.0254   -0.1583   -0.0133   -0.1793    0.0243    0
    3   -4   -6    2   -0.0250    0.0851   -0.0241    0.0824    0.0029    1
    4    0    6   -2   -0.1961   -0.5864   -0.1976   -0.5890    0.0030    1
    5    2    4   -2    0.0569   -0.2267    0.0566   -0.2258    0.0010    1
    6   -4   -2    2   -0.1041    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3   -2    0.1193   -0.5969    0.1201   -0.5972    0.0008    1
    8    1    1   -1    0.1446   -0.2228    0.1441   -0.2219    0.0010    1
    9   -4    2    2   -0.1925    0.0484   -0.1940    0.0483    0.0015    1
   10    2    0   -2    0.2267   -0.1286    0.2267   -0.1283    0.0003    1
   11    1    1   -2    0.5335   -0.6144    0.5314   -0.6143    0.0021    1
   12   -4    6    2   -0.1811   -0.0376   -0.1815   -0.0378    0.0004    1
   13    1   -1   -1    0.1980   -0.0088    0.1981   -0.0091    0.0003    1
   14    3   -1   -4    0.4400   -0.1591    0.5323   -0.1459    0.0932    0
   15   -1    3    0   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16    2   -4   -2    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17    1   -1   -2    0.7283   -0.0819    0.7260   -0.0804    0.0027    1
   18    2    0   -5    0.9135   -0.4560    1.0655   -0.4953    0.1569    0
   19    1   -5   -1    0.0230    0.0177    0.0407    0.0272    0.0202    0
   20    1   -3   -2    0.4426    0.1639    0.4436    0.1639    0.0010    1
   21    0    2    0   -0.0352   -0.0603   -0.0357   -0.0605    0.0005    1
   22    0   -6   -2    0.2957    0.3308    0.2970    0.3320    0.0018    1
   23   -1   -3    0    0.0343    0.2670    0.0342    0.2676    0.0007    1

###            No.478                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0938    1.7800    1.0857   89.9922  108.8943   90.1730      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0910    1.7765    1.0916   90.0000  109.0347   90.0000      0.0000         0.9995    1.6274
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0500    0.1095    0.0492    0.0000    7.6168    0.0000      0.0000         0.0860    0.1584
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6144   -0.4119    0.6218)
 a2 = (    0.2865    0.4817    0.0388)
 a3 = (   -0.3349    0.1274    0.9051)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6183   -0.4150    0.6210) (    0.0504    0.0184    0.0619)
 a2 = (    0.2855    0.4836    0.0389) (    0.0173    0.0305    0.0032)
 a3 = (   -0.3296    0.1219    0.9031) (    0.0212    0.0213    0.0928)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   83.8362   40.1030 -115.8332    0.4189    4.8078    0.6666
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003   -0.0052      0.0033    0.0025    0.1631

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.5374         3.8920
# Chi-squares at the beginning and the end of the refinement
    0.0320    0.0068
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    5    1   -0.0258   -0.1576   -0.0133   -0.1793    0.0251    0
    3    4   -6   -2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    0    6    2   -0.1950   -0.5845   -0.1976   -0.5890    0.0052    1
    5   -2    4    2    0.0566   -0.2260    0.0566   -0.2258    0.0002    1
    6    4   -2   -2   -0.1039    0.1166   -0.1046    0.1173    0.0010    1
    7   -1    3    2    0.1194   -0.5938    0.1201   -0.5972    0.0034    1
    8   -1    1    1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    4    2   -2   -0.1916    0.0486   -0.1940    0.0483    0.0025    1
   10   -2    0    2    0.2257   -0.1282    0.2267   -0.1283    0.0011    1
   11   -1    1    2    0.5291   -0.6090    0.5314   -0.6143    0.0057    1
   12    4    6   -2   -0.1802   -0.0367   -0.1815   -0.0378    0.0017    1
   13   -1   -1    1    0.1975   -0.0092    0.1981   -0.0091    0.0007    1
   14   -3   -1    4    0.4368   -0.1591    0.5323   -0.1459    0.0964    0
   15    1    3    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2   -4    2    0.1255    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -1    2    0.7220   -0.0850    0.7260   -0.0804    0.0062    1
   18   -2    0    5    0.9022   -0.4538    1.0655   -0.4953    0.1685    0
   19   -1   -5    1    0.0233    0.0183    0.0407    0.0272    0.0197    0
   20   -1   -3    2    0.4419    0.1605    0.4436    0.1639    0.0038    1
   21    0    2    0   -0.0354   -0.0594   -0.0357   -0.0605    0.0011    1
   22    0   -6    2    0.2979    0.3286    0.2970    0.3320    0.0035    1
   23    1   -3    0    0.0353    0.2676    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7295   -0.0557   -0.7289   -0.0565    0.0010    1
    2   -1    5    1   -0.0254   -0.1583   -0.0133   -0.1793    0.0243    0
    3    4   -6   -2   -0.0250    0.0851   -0.0241    0.0824    0.0029    1
    4    0    6    2   -0.1961   -0.5864   -0.1976   -0.5890    0.0030    1
    5   -2    4    2    0.0569   -0.2267    0.0566   -0.2258    0.0010    1
    6    4   -2   -2   -0.1041    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    3    2    0.1193   -0.5969    0.1201   -0.5972    0.0008    1
    8   -1    1    1    0.1446   -0.2228    0.1441   -0.2219    0.0010    1
    9    4    2   -2   -0.1925    0.0484   -0.1940    0.0483    0.0015    1
   10   -2    0    2    0.2267   -0.1286    0.2267   -0.1283    0.0003    1
   11   -1    1    2    0.5335   -0.6144    0.5314   -0.6143    0.0021    1
   12    4    6   -2   -0.1811   -0.0376   -0.1815   -0.0378    0.0004    1
   13   -1   -1    1    0.1980   -0.0088    0.1981   -0.0091    0.0003    1
   14   -3   -1    4    0.4400   -0.1591    0.5323   -0.1459    0.0932    0
   15    1    3    0   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16   -2   -4    2    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1   -1    2    0.7283   -0.0819    0.7260   -0.0804    0.0027    1
   18   -2    0    5    0.9135   -0.4560    1.0655   -0.4953    0.1569    0
   19   -1   -5    1    0.0230    0.0177    0.0407    0.0272    0.0202    0
   20   -1   -3    2    0.4426    0.1639    0.4436    0.1639    0.0010    1
   21    0    2    0   -0.0352   -0.0603   -0.0357   -0.0605    0.0005    1
   22    0   -6    2    0.2957    0.3308    0.2970    0.3320    0.0018    1
   23    1   -3    0    0.0343    0.2670    0.0342    0.2676    0.0007    1

###            No.479                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.9447    1.7958    0.6016   89.6167  107.7488   91.6721      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.9111    1.8176    0.6061   90.0000  108.1991   90.0000      0.0000         3.1533    2.9990
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0144    0.1707    0.0555    0.0000    1.3143    0.0000      0.0000         0.3009    0.0475
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0841   -0.1030    0.5235)
 a2 = (   -0.5315   -0.1507    0.0721)
 a3 = (    0.4886   -1.6696    0.1418)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1005   -0.1007    0.5321) (    0.0039    0.0151    0.0030)
 a2 = (   -0.5249   -0.1489    0.0710) (    0.0502    0.0132    0.0037)
 a3 = (    0.4915   -1.6587    0.1548) (    0.0413    0.1618    0.0106)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   82.3917  102.9327   14.1255    0.4928    1.5499    0.4328
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0001    0.0053      0.0025    0.0032    0.0979

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.8582         3.8656
# Chi-squares at the beginning and the end of the refinement
    1.2510    0.0069
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -1   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    0    0    1   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4    5   -3   -2   -0.1861   -0.5874   -0.1976   -0.5890    0.0116    1
    5    2    0   -2    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6    1   -3    2   -0.0981    0.1104   -0.1046    0.1173    0.0095    1
    7    2    0   -1    0.1292   -0.5903    0.1201   -0.5972    0.0114    1
    8    1    1   -1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    2   -6    1   -0.1848    0.0467   -0.1940    0.0483    0.0094    1
   10    1    3   -1    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11    5    3   -2    0.5351   -0.5901    0.5314   -0.6143    0.0245    1
   12    1   -3    0   -0.1754   -0.0365   -0.1815   -0.0378    0.0063    1
   13    1    7   -1    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14    3    5   -1    0.5924   -0.1242    0.5323   -0.1459    0.0639    0
   15    4   -6   -1   -0.3321   -0.2364   -0.3358   -0.2354    0.0038    1
   16    0    2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    4    6   -1    0.7060   -0.0746    0.7260   -0.0804    0.0208    1
   18    7    5   -2    0.8937   -0.5471    1.0655   -0.4953    0.1794    0
   19   -1    7    2    0.0284    0.0430    0.0407    0.0272    0.0201    0
   20    1    3    0    0.4316    0.1587    0.4436    0.1639    0.0131    1
   21    1   -3   -1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22    2    6    1    0.2904    0.3188    0.2970    0.3320    0.0148    1
   23    1    3    2    0.0353    0.2580    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7286   -0.0562   -0.7289   -0.0565    0.0004    1
    2    1   -1   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0    0    1   -0.0249    0.0853   -0.0241    0.0824    0.0029    1
    4    5   -3   -2   -0.1963   -0.5863   -0.1976   -0.5890    0.0030    1
    5    2    0   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -3    2   -0.1041    0.1168   -0.1046    0.1173    0.0007    1
    7    2    0   -1    0.1194   -0.5971    0.1201   -0.5972    0.0007    1
    8    1    1   -1    0.1450   -0.2226    0.1441   -0.2219    0.0011    1
    9    2   -6    1   -0.1927    0.0485   -0.1940    0.0483    0.0014    1
   10    1    3   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    5    3   -2    0.5338   -0.6145    0.5314   -0.6143    0.0024    1
   12    1   -3    0   -0.1813   -0.0376   -0.1815   -0.0378    0.0003    1
   13    1    7   -1    0.2110   -0.0268    0.1981   -0.0091    0.0218    0
   14    3    5   -1    0.6068   -0.1319    0.5323   -0.1459    0.0758    0
   15    4   -6   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2    0    0.1250    0.0353    0.1256    0.0356    0.0007    1
   17    4    6   -1    0.7284   -0.0815    0.7260   -0.0804    0.0026    1
   18    7    5   -2    0.9139   -0.5878    1.0655   -0.4953    0.1776    0
   19   -1    7    1    0.0227    0.0176    0.0407    0.0272    0.0205    0
   20    1    3    0    0.4423    0.1640    0.4436    0.1639    0.0013    1
   21    1   -3   -1   -0.0353   -0.0605   -0.0357   -0.0605    0.0004    1
   22    2    6    1    0.2956    0.3308    0.2970    0.3320    0.0018    1
   23    1    3    2    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.482                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7296    1.4139    0.9987   90.2201  125.0214   89.9166      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7452    1.4000    1.0057   90.0000  125.5149   90.0000      0.0000         1.7354    1.3921
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0207    0.0367    0.0215    0.0000    0.9530    0.0000      0.0000         0.0281    0.0250
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5673   -0.0443   -0.4180)
 a2 = (   -0.3865   -0.2263    0.5474)
 a3 = (   -0.8041    0.9014   -0.1894)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5655   -0.0408   -0.4172) (    0.0041    0.0080    0.0054)
 a2 = (   -0.3904   -0.2309    0.5518) (    0.0152    0.0067    0.0117)
 a3 = (   -0.8052    0.8981   -0.1939) (    0.0130    0.0227    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -37.4948   76.8236 -165.9508    0.5365    0.5415    0.5243
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0035   -0.0015    0.0031      0.0031    0.0029    0.0142

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7872         3.8415
# Chi-squares at the beginning and the end of the refinement
    0.2436    0.1217
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7324   -0.0571   -0.7289   -0.0565    0.0035    1
    2   -5   -1    4   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3    4    2   -5   -0.0132    0.0694   -0.0241    0.0824    0.0169    1
    4   -2    0    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5   -2    0    2    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6    0    0   -1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -6    2    5    0.1792   -0.5571    0.1201   -0.5972    0.0714    0
    8   -3    1    4    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9   -4   -2   -2   -0.1932    0.0488   -0.1940    0.0483    0.0009    1
   10    0    2    2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11   -1    1    1    0.5338   -0.6161    0.5314   -0.6143    0.0030    1
   12   -4   -2    0   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13    2    4    2    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14    0    2    1    0.5311   -0.1512    0.5323   -0.1459    0.0054    1
   15   -5   -1    1   -0.4267   -0.2380   -0.3358   -0.2354    0.0910    0
   16    1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    6    2    0.7305   -0.0828    0.7260   -0.0804    0.0051    1
   18   -2    4    2    1.0582   -0.5168    1.0655   -0.4953    0.0227    1
   19    6    4   -3    0.0295    0.0451    0.0407    0.0272    0.0211    0
   20    2    4    0    0.4440    0.1646    0.4436    0.1639    0.0008    1
   21   -4   -2    2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    4    6   -2    0.2964    0.3320    0.2970    0.3320    0.0006    1
   23    1    1   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    0   -0.7351   -0.0543   -0.7289   -0.0565    0.0066    1
    2   -5   -1    4   -0.0033   -0.1892   -0.0133   -0.1793    0.0140    1
    3    4    2   -5   -0.0181    0.0746   -0.0241    0.0824    0.0099    1
    4   -2    0    1   -0.1986   -0.5883   -0.1976   -0.5890    0.0013    1
    5   -2    0    2    0.0533   -0.2240    0.0566   -0.2258    0.0037    1
    6    0    0   -1   -0.1105    0.1179   -0.1046    0.1173    0.0059    1
    7   -6    2    5    0.1800   -0.5560    0.1201   -0.5972    0.0726    0
    8   -3    1    4    0.1207   -0.2273    0.1441   -0.2219    0.0240    0
    9   -4   -2   -2   -0.1955    0.0469   -0.1940    0.0483    0.0020    1
   10    0    2    2    0.2241   -0.1284    0.2267   -0.1283    0.0026    1
   11   -1    1    1    0.5385   -0.6105    0.5314   -0.6143    0.0080    1
   12   -4   -2    0   -0.1811   -0.0380   -0.1815   -0.0378    0.0004    1
   13    2    4    2    0.2173   -0.0420    0.1981   -0.0091    0.0381    0
   14    0    2    1    0.5281   -0.1477    0.5323   -0.1459    0.0045    1
   15   -5   -1    1   -0.4277   -0.2359   -0.3358   -0.2354    0.0919    0
   16    1    1    0    0.1264    0.0355    0.1256    0.0356    0.0008    1
   17    0    6    2    0.7259   -0.0773    0.7260   -0.0804    0.0031    1
   18   -2    4    2    1.0603   -0.4988    1.0655   -0.4953    0.0063    1
   19    7    5   -2    0.0301    0.0238    0.0407    0.0272    0.0112    1
   20    2    4    0    0.4427    0.1651    0.4436    0.1639    0.0015    1
   21   -4   -2    2   -0.0355   -0.0555   -0.0357   -0.0605    0.0050    1
   22    4    6   -2    0.2972    0.3344    0.2970    0.3320    0.0024    1
   23    1    1   -1    0.0320    0.2740    0.0342    0.2676    0.0067    1

###            No.483                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8138    0.8496    1.5807   89.9095  124.8090   90.2161      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.8224    0.8589    1.5675   90.0000  125.3961   90.0000      0.0000         1.1626    0.5479
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0177    0.0211    0.0357    0.0000    0.7835    0.0000      0.0000         0.0216    0.0122
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0777    0.6436   -0.1751)
 a2 = (    0.9504    0.0772    0.6900)
 a3 = (    0.4164    0.2454   -0.6001)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0833    0.6440   -0.1772) (    0.0071    0.0019    0.0054)
 a2 = (    0.9347    0.0692    0.6908) (    0.0262    0.0104    0.0141)
 a3 = (    0.4282    0.2521   -0.6046) (    0.0121    0.0074    0.0130)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -23.9229  139.5279   63.9865    0.6889    0.5036    0.7960
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0006   -0.0007    0.0057      0.0037    0.0023    0.0128

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.4236         3.8264
# Chi-squares at the beginning and the end of the refinement
    0.1036    0.0147
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7212   -0.0586   -0.7289   -0.0565    0.0080    1
    2    7    1   -2   -0.0256   -0.1583   -0.0133   -0.1793    0.0243    0
    3   -5    1    2   -0.0568    0.1079   -0.0241    0.0824    0.0414    0
    4    6    2   -3   -0.1983   -0.5818   -0.1976   -0.5890    0.0072    1
    5    2    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -6    2    3   -0.1055    0.1168   -0.1046    0.1173    0.0010    1
    7    7    1   -5    0.1248   -0.7128    0.1201   -0.5972    0.1157    0
    8    7   -1   -5    0.1643   -0.2113    0.1441   -0.2219    0.0228    0
    9   -1    1    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10    3   -1   -3    0.2249   -0.1278    0.2267   -0.1283    0.0018    1
   11    2    0   -2    0.5268   -0.6194    0.5314   -0.6143    0.0069    1
   12    0    4    3   -0.1822   -0.0377   -0.1815   -0.0378    0.0007    1
   13    1   -1   -2    0.1961   -0.0087    0.1981   -0.0091    0.0020    1
   14    3   -1   -5    0.6074   -0.1360    0.5323   -0.1459    0.0757    0
   15    1    1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2   -3    0.1236    0.0349    0.1256    0.0356    0.0021    1
   17    3   -1   -6    0.7316   -0.0867    0.7260   -0.0804    0.0084    1
   18    2    0   -3    1.0575   -0.5328    1.0655   -0.4953    0.0383    1
   19   -1   -1   -1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    0   -2   -6    0.4441    0.1642    0.4436    0.1639    0.0006    1
   21    3    1    0   -0.0359   -0.0609   -0.0357   -0.0605    0.0004    1
   22   -3   -1   -3    0.2958    0.3337    0.2970    0.3320    0.0021    1
   23   -2    0    0    0.0324    0.2681    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7315   -0.0548   -0.7289   -0.0565    0.0031    1
    2    7    1   -2   -0.0261   -0.1576   -0.0133   -0.1793    0.0252    0
    3   -5    1    2   -0.0571    0.1080   -0.0241    0.0824    0.0417    0
    4    6    2   -3   -0.1969   -0.5882   -0.1976   -0.5890    0.0010    1
    5    2    0   -1    0.0564   -0.2265    0.0566   -0.2258    0.0007    1
    6   -6    2    3   -0.1056    0.1167   -0.1046    0.1173    0.0011    1
    7    7    1   -4    0.0278   -0.5198    0.1201   -0.5972    0.1204    0
    8    7   -1   -5    0.1653   -0.2122    0.1441   -0.2219    0.0233    0
    9   -1    1    1   -0.1930    0.0479   -0.1940    0.0483    0.0011    1
   10    3   -1   -3    0.2264   -0.1282    0.2267   -0.1283    0.0003    1
   11    2    0   -2    0.5372   -0.6117    0.5314   -0.6143    0.0063    1
   12    0    4    3   -0.1809   -0.0377   -0.1815   -0.0378    0.0007    1
   13    1   -1   -2    0.1977   -0.0089    0.1981   -0.0091    0.0005    1
   14    3   -1   -5    0.6055   -0.1299    0.5323   -0.1459    0.0749    0
   15    1    1    0   -0.3371   -0.2365   -0.3358   -0.2354    0.0017    1
   16    0   -2   -3    0.1255    0.0351    0.1256    0.0356    0.0005    1
   17    3   -1   -6    0.7260   -0.0789    0.7260   -0.0804    0.0015    1
   18    2    0   -3    1.0579   -0.5041    1.0655   -0.4953    0.0117    1
   19   -1   -1   -1    0.0427    0.0282    0.0407    0.0272    0.0022    1
   20    0   -2   -6    0.4414    0.1638    0.4436    0.1639    0.0022    1
   21    3    1    0   -0.0353   -0.0593   -0.0357   -0.0605    0.0013    1
   22   -3   -1   -3    0.2959    0.3305    0.2970    0.3320    0.0019    1
   23   -2    0    0    0.0342    0.2684    0.0342    0.2676    0.0007    1

###            No.485                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8496    1.8138    1.3653   90.1248  108.0873   90.2161      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8593    1.8194    1.3474   90.0000  108.3081   90.0000      0.0000         0.6377    1.3503
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0135    0.0620    0.0415    0.0000    2.7162    0.0000      0.0000         0.0148    0.0231
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7423   -0.0455    0.9900)
 a2 = (   -0.1305    0.5209    0.1250)
 a3 = (   -0.4164   -0.2454    0.6001)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7211   -0.0565    0.9896) (    0.0230    0.0161    0.0160)
 a2 = (   -0.1305    0.5191    0.1248) (    0.0054    0.0183    0.0038)
 a3 = (   -0.4292   -0.2527    0.6025) (    0.0254    0.0067    0.0118)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   74.2942   56.9977  -67.1764    0.3998    1.4340    0.5324
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0006   -0.0006    0.0006      0.0038    0.0024    0.0480

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.4236         3.8254
# Chi-squares at the beginning and the end of the refinement
    0.1081    0.0148
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7212   -0.0586   -0.7289   -0.0565    0.0080    1
    2    1    7   -2   -0.0256   -0.1583   -0.0133   -0.1793    0.0243    0
    3    1   -5    0   -0.0568    0.1079   -0.0241    0.0824    0.0414    0
    4    2    6   -1   -0.1983   -0.5818   -0.1976   -0.5890    0.0072    1
    5    0    2    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -6   -1   -0.1055    0.1168   -0.1046    0.1173    0.0010    1
    7    1    7    1    0.1248   -0.7128    0.1201   -0.5972    0.1157    0
    8   -1    7    2    0.1643   -0.2113    0.1441   -0.2219    0.0228    0
    9    1   -1   -1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10   -1    3    2    0.2249   -0.1278    0.2267   -0.1283    0.0018    1
   11    0    2    1    0.5268   -0.6194    0.5314   -0.6143    0.0069    1
   12    4    0   -5   -0.1822   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -1    1    2    0.1961   -0.0087    0.1981   -0.0091    0.0020    1
   14   -1    3    4    0.6074   -0.1360    0.5323   -0.1459    0.0757    0
   15    1    1   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    0    4    0.1236    0.0349    0.1256    0.0356    0.0021    1
   17   -1    3    5    0.7316   -0.0867    0.7260   -0.0804    0.0084    1
   18    0    2    2    1.0575   -0.5328    1.0655   -0.4953    0.0383    1
   19   -1   -1    2    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20   -2    0    7    0.4441    0.1642    0.4436    0.1639    0.0006    1
   21    1    3   -2   -0.0359   -0.0609   -0.0357   -0.0605    0.0004    1
   22   -1   -3    5    0.2958    0.3337    0.2970    0.3320    0.0021    1
   23    0   -2    1    0.0324    0.2681    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7318   -0.0552   -0.7289   -0.0565    0.0031    1
    2    1    7   -2   -0.0262   -0.1576   -0.0133   -0.1793    0.0253    0
    3    1   -5    0   -0.0569    0.1080   -0.0241    0.0824    0.0416    0
    4    2    6   -1   -0.1969   -0.5877   -0.1976   -0.5890    0.0014    1
    5    0    2    0    0.0562   -0.2266    0.0566   -0.2258    0.0009    1
    6    2   -6   -1   -0.1054    0.1168   -0.1046    0.1173    0.0009    1
    7    1    7    1    0.1334   -0.7168    0.1201   -0.5972    0.1203    0
    8   -1    7    2    0.1652   -0.2125    0.1441   -0.2219    0.0232    0
    9    1   -1   -1   -0.1931    0.0479   -0.1940    0.0483    0.0011    1
   10   -1    3    2    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    0    2    1    0.5369   -0.6123    0.5314   -0.6143    0.0058    1
   12    4    0   -5   -0.1809   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -1    1    2    0.1978   -0.0088    0.1981   -0.0091    0.0004    1
   14   -1    3    4    0.6057   -0.1298    0.5323   -0.1459    0.0752    0
   15    1    1   -1   -0.3369   -0.2365   -0.3358   -0.2354    0.0015    1
   16   -2    0    4    0.1255    0.0352    0.1256    0.0356    0.0005    1
   17   -1    3    5    0.7261   -0.0787    0.7260   -0.0804    0.0016    1
   18    0    2    2    1.0581   -0.5045    1.0655   -0.4953    0.0118    1
   19   -1   -1    2    0.0426    0.0282    0.0407    0.0272    0.0021    1
   20   -2    0    7    0.4411    0.1639    0.4436    0.1639    0.0024    1
   21    1    3   -2   -0.0353   -0.0593   -0.0357   -0.0605    0.0013    1
   22   -1   -3    5    0.2955    0.3301    0.2970    0.3320    0.0024    1
   23    0   -2    1    0.0344    0.2680    0.0342    0.2676    0.0004    1

###            No.487                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2323    1.2379    1.4341   90.6608  113.8938   89.8068      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2488    1.2506    1.4119   90.0000  114.9052   90.0000      0.0000         0.8845    0.8858
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0111    0.0186    0.1532    0.0000    1.1008    0.0000      0.0000         0.0925    0.0962
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7452    0.4540   -0.1620)
 a2 = (    0.4092    0.6943    0.0566)
 a3 = (   -0.1209    0.1415   -0.7397)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7403    0.4507   -0.1681) (    0.0059    0.0048    0.0192)
 a2 = (    0.4051    0.6870    0.0575) (    0.0081    0.0100    0.0049)
 a3 = (   -0.1339    0.1422   -0.7561) (    0.0126    0.0093    0.0844)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -69.3139  168.2547   79.7590    1.6641    1.2756    1.7512
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            241            400
# Figure of merit at the beginning and the end of the refinement
        14.2067         3.8236
# Chi-squares at the beginning and the end of the refinement
    0.0817    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2    2    4   -1   -0.0136   -0.1802   -0.0133   -0.1793    0.0009    1
    3   -1   -1    0   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4    1    3   -2   -0.1922   -0.5981   -0.1976   -0.5890    0.0106    1
    5    2    2   -1    0.0589   -0.2303    0.0566   -0.2258    0.0051    1
    6   -3   -1    0   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7    1    1   -1    0.1287   -0.6025    0.1201   -0.5972    0.0101    1
    8    4    2   -2    0.1484   -0.2257    0.1441   -0.2219    0.0057    1
    9   -3    1    0   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10    2    0   -1    0.2311   -0.1293    0.2267   -0.1283    0.0045    1
   11    3    1   -3    0.5451   -0.6077    0.5314   -0.6143    0.0152    1
   12   -1    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    4   -2   -2    0.2015   -0.0082    0.1981   -0.0091    0.0035    1
   14    5   -1   -4    0.5322   -0.1471    0.5323   -0.1459    0.0012    1
   15   -1    3   -1   -0.3401   -0.2416   -0.3358   -0.2354    0.0076    1
   16    2   -2   -1    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17    3   -1   -3    0.7263   -0.0774    0.7260   -0.0804    0.0030    1
   18    4    0   -5    1.0542   -0.4917    1.0655   -0.4953    0.0118    1
   19    2   -4   -1    0.0435    0.0291    0.0407    0.0272    0.0033    1
   20    1   -1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3   -2    0.2986    0.3298    0.2970    0.3320    0.0028    1
   23   -1   -3   -1    0.0362    0.2684    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    2    4   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -1    0   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    1    3   -2   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    2    2   -1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -3   -1    0   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    1    1   -1    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    4    2   -2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -3    1    0   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    2    0   -1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    3    1   -3    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12   -1    1    0   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    4   -2   -2    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    5   -1   -4    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15   -1    3   -1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    2   -2   -1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    3   -1   -3    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    5   -1   -6    1.0084   -0.2182    1.0655   -0.4953    0.2829    0
   19    2   -4   -1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    1   -1   -1    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1   -3   -2    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23   -1   -3   -1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.489                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2390    1.2330    1.4384   90.5330  114.4638   89.8443      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2488    1.2506    1.4119   90.0000  114.9052   90.0000      0.0000         0.8845    0.8858
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0111    0.0186    0.1532    0.0000    1.1008    0.0000      0.0000         0.0925    0.0962
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7454   -0.4502    0.1670)
 a2 = (    0.4096    0.6977    0.0580)
 a3 = (    0.1313   -0.1307    0.7410)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7403   -0.4507    0.1681) (    0.0059    0.0048    0.0192)
 a2 = (    0.4051    0.6870    0.0575) (    0.0081    0.0100    0.0049)
 a3 = (    0.1339   -0.1422    0.7561) (    0.0126    0.0093    0.0844)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   69.3139   11.7453 -100.2410    1.6641    1.2756    1.7512
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            225            400
# Figure of merit at the beginning and the end of the refinement
        15.6306         3.8236
# Chi-squares at the beginning and the end of the refinement
    0.0863    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7449   -0.0676   -0.7289   -0.0565    0.0195    1
    2   -2    4    1   -0.0140   -0.1784   -0.0133   -0.1793    0.0012    1
    3    1   -1    0   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4   -1    3    2   -0.1927   -0.5896   -0.1976   -0.5890    0.0050    1
    5   -2    2    1    0.0568   -0.2274    0.0566   -0.2258    0.0016    1
    6    3   -1    0   -0.1075    0.1205   -0.1046    0.1173    0.0043    1
    7   -1    1    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -4    2    2    0.1446   -0.2233    0.1441   -0.2219    0.0014    1
    9    3    1    0   -0.1992    0.0491   -0.1940    0.0483    0.0052    1
   10   -2    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3    1    3    0.5318   -0.6147    0.5314   -0.6143    0.0005    1
   12    1    1    0   -0.1862   -0.0399   -0.1815   -0.0378    0.0052    1
   13   -4   -2    2    0.1970   -0.0080    0.1981   -0.0091    0.0016    1
   14   -5   -1    4    0.5303   -0.1513    0.5323   -0.1459    0.0057    1
   15    1    3    1   -0.3390   -0.2435   -0.3358   -0.2354    0.0087    1
   16   -2   -2    1    0.1234    0.0354    0.1256    0.0356    0.0022    1
   17   -3   -1    3    0.7292   -0.0845    0.7260   -0.0804    0.0052    1
   18   -4    0    5    1.0504   -0.5183    1.0655   -0.4953    0.0276    1
   19   -2   -4    1    0.0402    0.0271    0.0407    0.0272    0.0006    1
   20   -1   -1    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    2    0   -0.0363   -0.0618   -0.0357   -0.0605    0.0014    1
   22   -1   -3    2    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    1   -3    1    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2   -2    4    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -1    0   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4   -1    3    2   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5   -2    2    1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    3   -1    0   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -1    1    1    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8   -4    2    2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    3    1    0   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10   -2    0    1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11   -3    1    3    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12    1    1    0   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13   -4   -2    2    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -5   -1    4    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15    1    3    1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16   -2   -2    1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17   -3   -1    3    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18   -5   -1    6    1.0084   -0.2182    1.0655   -0.4953    0.2829    0
   19   -2   -4    1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20   -1   -1    1    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1   -3    2    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23    1   -3    1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.490                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2454    1.2255    1.4400   92.2740  114.3922   89.1717      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2488    1.2506    1.4380   90.0000  117.0605   90.0000      0.0000         0.8684    0.8697
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0550    0.0617    0.0336    0.0000    4.9425    0.0000      0.0000         0.0511    0.0548
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6052    0.2971    0.5682)
 a2 = (   -0.4030   -0.7081   -0.0563)
 a3 = (    0.1422   -0.1715    0.7298)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6065    0.3085    0.5879) (    0.0268    0.0204    0.0381)
 a2 = (   -0.4051   -0.6870   -0.0575) (    0.0192    0.0349    0.0036)
 a3 = (    0.1339   -0.1422    0.7561) (    0.0182    0.0079    0.0492)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   96.2762   41.1291   54.7347    0.3855    3.2413    0.5260
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            205            400
# Figure of merit at the beginning and the end of the refinement
        10.0049         3.8236
# Chi-squares at the beginning and the end of the refinement
    0.3688    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    2   -0.7312   -0.0384   -0.7289   -0.0565    0.0182    1
    2    2   -4   -1   -0.0126   -0.1747   -0.0133   -0.1793    0.0047    1
    3   -1    1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -3    1   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5    2   -2   -1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -3    1    3   -0.1004    0.1154   -0.1046    0.1173    0.0047    1
    7    1   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    4   -2   -2    0.1430   -0.2220    0.1441   -0.2219    0.0011    1
    9   -3   -1    3   -0.1912    0.0505   -0.1940    0.0483    0.0035    1
   10    2    0   -1    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11    3   -1    0    0.5463   -0.6186    0.5314   -0.6143    0.0155    1
   12   -1   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    4    2   -2    0.1993   -0.0065    0.1981   -0.0091    0.0028    1
   14    5    1   -1    0.5375   -0.1428    0.5323   -0.1459    0.0061    1
   15   -1   -3    2   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    2    2   -1    0.1249    0.0376    0.1256    0.0356    0.0021    1
   17    3    1    0    0.7380   -0.0609    0.7260   -0.0804    0.0228    1
   18    4    0    1    1.0989   -0.4904    1.0655   -0.4953    0.0338    1
   19    2    4   -1    0.0412    0.0287    0.0407    0.0272    0.0015    1
   20    1    1    0    0.4354    0.1775    0.4436    0.1639    0.0159    1
   21    0   -2    0   -0.0342   -0.0601   -0.0357   -0.0605    0.0016    1
   22    1    3    1    0.2780    0.3323    0.2970    0.3320    0.0190    1
   23   -1    3    2    0.0298    0.2579    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    2   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    2   -4   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1    1    1   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    1   -3    1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    2   -2   -1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -3    1    3   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    1   -1    0    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    4   -2   -2    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -3   -1    3   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    2    0   -1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    3   -1    0    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12   -1   -1    1   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    4    2   -2    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    5    1   -1    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15   -1   -3    2   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    2    2   -1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    3    1    0    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    5    1    1    1.0084   -0.2182    1.0655   -0.4953    0.2829    0
   19    2    4   -1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    1    1    0    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0   -2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1    3    1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23   -1    3    2    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.494                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.5568    1.5516    0.9124   89.4174  114.8303   90.3085      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.5593    1.5588    0.9083   90.0000  115.0473   90.0000      0.0000         1.7167    1.7162
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0206    0.0251    0.1365    0.0000    1.6203    0.0000      0.0000         0.2435    0.2555
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5945    0.3621   -0.1282)
 a2 = (    0.3264    0.5538    0.0462)
 a3 = (   -0.2208    0.2154   -1.1676)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5946    0.3614   -0.1306) (    0.0057    0.0043    0.0194)
 a2 = (    0.3252    0.5512    0.0449) (    0.0073    0.0084    0.0051)
 a3 = (   -0.2183    0.2244   -1.1742) (    0.0278    0.0172    0.1796)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -69.2285  168.6225   79.8609    1.8256    1.6213    1.9297
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003    0.0095      0.0033    0.0025    0.1527

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.4860         3.7118
# Chi-squares at the beginning and the end of the refinement
    0.0270    0.0111
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    2   -1   -0.7304   -0.0595   -0.7289   -0.0565    0.0033    1
    2    4    6   -1    0.0089   -0.2043   -0.0133   -0.1793    0.0334    0
    3   -1   -1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    3   -1   -0.1962   -0.5859   -0.1976   -0.5890    0.0034    1
    5    4    4   -1    0.0567   -0.2296    0.0566   -0.2258    0.0038    1
    6   -3   -1    0   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    2    2   -1    0.1167   -0.5982    0.1201   -0.5972    0.0036    1
    8    4    2   -1    0.1452   -0.2260    0.1441   -0.2219    0.0042    1
    9   -3    1    0   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    4    0   -1    0.2288   -0.1308    0.2267   -0.1283    0.0033    1
   11    6    2   -3    0.5299   -0.6200    0.5314   -0.6143    0.0059    1
   12   -1    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    4   -2   -1    0.1997   -0.0089    0.1981   -0.0091    0.0016    1
   14    5   -1   -2    0.5323   -0.1539    0.5323   -0.1459    0.0079    1
   15   -2    6   -1   -0.3366   -0.2382   -0.3358   -0.2354    0.0029    1
   16    4   -4   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    6   -2   -3    0.7323   -0.0862    0.7260   -0.0804    0.0086    1
   18    7   -1   -4    0.9430   -0.2929    1.0655   -0.4953    0.2366    0
   19    5   -5   -1    0.0629    0.0168    0.0407    0.0272    0.0245    0
   20    2   -2   -1    0.4444    0.1642    0.4436    0.1639    0.0009    1
   21    0    2    0   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22    1   -3   -1    0.2954    0.3307    0.2970    0.3320    0.0020    1
   23   -2   -6   -1    0.0341    0.2646    0.0342    0.2676    0.0031    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    2   -1   -0.7298   -0.0554   -0.7289   -0.0565    0.0014    1
    2    4    6   -1    0.0095   -0.2014   -0.0133   -0.1793    0.0317    0
    3   -1   -1    0   -0.0250    0.0852   -0.0241    0.0824    0.0030    1
    4    1    3   -1   -0.1960   -0.5865   -0.1976   -0.5890    0.0030    1
    5    4    4   -1    0.0570   -0.2265    0.0566   -0.2258    0.0008    1
    6   -3   -1    0   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7    2    2   -1    0.1197   -0.5970    0.1201   -0.5972    0.0005    1
    8    4    2   -1    0.1447   -0.2227    0.1441   -0.2219    0.0009    1
    9   -3    1    0   -0.1925    0.0484   -0.1940    0.0483    0.0015    1
   10    4    0   -1    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    6    2   -3    0.5346   -0.6138    0.5314   -0.6143    0.0031    1
   12   -1    1    0   -0.1810   -0.0377   -0.1815   -0.0378    0.0005    1
   13    4   -2   -1    0.1980   -0.0087    0.1981   -0.0091    0.0005    1
   14    5   -1   -2    0.5296   -0.1496    0.5323   -0.1459    0.0045    1
   15   -2    6   -1   -0.3363   -0.2368   -0.3358   -0.2354    0.0015    1
   16    4   -4   -1    0.1253    0.0353    0.1256    0.0356    0.0005    1
   17    6   -2   -3    0.7280   -0.0805    0.7260   -0.0804    0.0020    1
   18    7   -1   -4    0.9407   -0.2816    1.0655   -0.4953    0.2474    0
   19    5   -5   -1    0.0629    0.0165    0.0407    0.0272    0.0246    0
   20    2   -2   -1    0.4420    0.1643    0.4436    0.1639    0.0017    1
   21    0    2    0   -0.0351   -0.0601   -0.0357   -0.0605    0.0007    1
   22    1   -3   -1    0.2951    0.3306    0.2970    0.3320    0.0024    1
   23   -2   -6   -1    0.0343    0.2668    0.0342    0.2676    0.0008    1

###            No.497                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.2396    1.2198    1.4459   91.2681  113.7425   90.7801      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.2556    1.2543    1.4332   90.0000  117.6135   90.0000      0.0000         0.8761    0.8752
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0593    0.0640    0.0359    0.0000    5.1751    0.0000      0.0000         0.0552    0.0568
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6157    0.2909    0.5598)
 a2 = (   -0.4155   -0.7048   -0.0589)
 a3 = (    0.1408   -0.1699    0.7230)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6029    0.3048    0.5929) (    0.0286    0.0229    0.0406)
 a2 = (   -0.4037   -0.6850   -0.0584) (    0.0200    0.0360    0.0044)
 a3 = (    0.1333   -0.1436    0.7627) (    0.0189    0.0088    0.0526)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   96.3412   41.5809   54.7331    0.4344    3.4781    0.5886
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0007    0.0565      0.0024    0.0024    0.1135

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.0069         3.6786
# Chi-squares at the beginning and the end of the refinement
    0.8409    0.0154
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    2   -0.7175   -0.0405   -0.7289   -0.0565    0.0197    1
    2    2   -4   -1   -0.0143   -0.1758   -0.0133   -0.1793    0.0036    1
    3   -1    1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -3    1   -0.2013   -0.5833   -0.1976   -0.5890    0.0067    1
    5    2   -2   -1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -3    1    3   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    1   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    4   -2   -2    0.1435   -0.2185    0.1441   -0.2219    0.0035    1
    9   -3   -1    3   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    2    0   -1    0.2223   -0.1218    0.2267   -0.1283    0.0079    1
   11    3   -1    0    0.5484   -0.6042    0.5314   -0.6143    0.0197    1
   12   -1   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    4    2   -2    0.1888   -0.0050    0.1981   -0.0091    0.0102    1
   14    5    1   -1    0.5216   -0.1320    0.5323   -0.1459    0.0176    1
   15   -1   -3    2   -0.3352   -0.2320   -0.3358   -0.2354    0.0035    1
   16    2    2   -1    0.1163    0.0347    0.1256    0.0356    0.0094    1
   17    3    1    0    0.7123   -0.0529    0.7260   -0.0804    0.0307    0
   18    4    0    1    1.0782   -0.4615    1.0655   -0.4953    0.0361    1
   19    2    4   -1    0.0363    0.0247    0.0407    0.0272    0.0051    1
   20    1    1    0    0.4184    0.1679    0.4436    0.1639    0.0255    0
   21    0   -2    0   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22    1    3    1    0.2745    0.3179    0.2970    0.3320    0.0265    0
   23   -1    3    2    0.0323    0.2544    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    2   -0.7301   -0.0540   -0.7289   -0.0565    0.0028    1
    2    2   -4   -1   -0.0137   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1    1    1   -0.0248    0.0847   -0.0241    0.0824    0.0023    1
    4    1   -3    1   -0.1959   -0.5868   -0.1976   -0.5890    0.0028    1
    5    2   -2   -1    0.0568   -0.2265    0.0566   -0.2258    0.0007    1
    6   -3    1    3   -0.1038    0.1164   -0.1046    0.1173    0.0012    1
    7    1   -1    0    0.1203   -0.5974    0.1201   -0.5972    0.0003    1
    8    4   -2   -2    0.1446   -0.2227    0.1441   -0.2219    0.0009    1
    9   -3   -1    3   -0.1925    0.0480   -0.1940    0.0483    0.0016    1
   10    2    0   -1    0.2267   -0.1281    0.2267   -0.1283    0.0003    1
   11    3   -1    0    0.5376   -0.6123    0.5314   -0.6143    0.0065    1
   12   -1   -1    1   -0.1808   -0.0383   -0.1815   -0.0378    0.0009    1
   13    4    2   -2    0.1974   -0.0084    0.1981   -0.0091    0.0011    1
   14    5    1   -1    0.5291   -0.1470    0.5323   -0.1459    0.0033    1
   15   -1   -3    2   -0.3359   -0.2370   -0.3358   -0.2354    0.0016    1
   16    2    2   -1    0.1246    0.0350    0.1256    0.0356    0.0012    1
   17    3    1    0    0.7260   -0.0759    0.7260   -0.0804    0.0044    1
   18    5    1    1    1.0087   -0.2141    1.0655   -0.4953    0.2868    0
   19    2    4   -1    0.0419    0.0273    0.0407    0.0272    0.0012    1
   20    1    1    0    0.4386    0.1649    0.4436    0.1639    0.0051    1
   21    0   -2    0   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1    3    1    0.2922    0.3282    0.2970    0.3320    0.0061    1
   23   -1    3    2    0.0345    0.2648    0.0342    0.2676    0.0029    1

###            No.498                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0804    2.2979    0.8518   90.8552  108.9226   88.6597      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0632    2.3288    0.8528   90.0000  108.7107   90.0000      0.0000         1.2467    2.7306
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0057    0.1091    0.0123    0.0000    0.9074    0.0000      0.0000         0.0168    0.1191
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7357    0.6450   -0.0203)
 a2 = (    0.0787   -0.0895    0.4187)
 a3 = (    1.0451   -0.5917   -0.3128)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7405    0.6616   -0.0103) (    0.0069    0.0077    0.0051)
 a2 = (    0.0768   -0.0795    0.4149) (    0.0060    0.0057    0.0188)
 a3 = (    1.0487   -0.5825   -0.3058) (    0.0148    0.0132    0.0108)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -0.6138  104.9078   41.6203    0.3031    0.4607    0.6146
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0006    0.0036   -0.0213      0.0031    0.0024    0.0457

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.6265         3.6268
# Chi-squares at the beginning and the end of the refinement
    1.2033    0.3215
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    6    1   -0.7202   -0.0389   -0.7289   -0.0565    0.0196    1
    2    4    0   -3    0.0087   -0.1965   -0.0133   -0.1793    0.0279    0
    3   -1    1    1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    2    2   -1   -0.1999   -0.5832   -0.1976   -0.5890    0.0062    1
    5    2    0   -2    0.0557   -0.2226    0.0566   -0.2258    0.0033    1
    6   -1    5    4   -0.1240    0.1117   -0.1046    0.1173    0.0201    0
    7    1    1   -1    0.1199   -0.5959    0.1201   -0.5972    0.0013    1
    8    2    0   -4    0.1584   -0.2138    0.1441   -0.2219    0.0165    1
    9    1    3    2   -0.1863    0.0491   -0.1940    0.0483    0.0078    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3   -3    0.5053   -0.5025    0.5314   -0.6143    0.1148    0
   12    2    2    1   -0.1744   -0.0339   -0.1815   -0.0378    0.0081    1
   13   -2    0   -3    0.2102   -0.0221    0.1981   -0.0091    0.0178    1
   14   -1    3   -3    0.5769   -0.1367    0.5323   -0.1459    0.0456    0
   15    1    1    0   -0.3339   -0.2277   -0.3358   -0.2354    0.0079    1
   16   -2    0   -1    0.1304    0.0362    0.1256    0.0356    0.0048    1
   17   -1    3   -2    0.7266   -0.0757    0.7260   -0.0804    0.0047    1
   18    0    2   -1    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19   -5    1    1    0.0243    0.0372    0.0407    0.0272    0.0192    0
   20   -2    2   -1    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    4    0   -1   -0.0322   -0.0538   -0.0357   -0.0605    0.0076    1
   22   -1    1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -2    2    1    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    6    1   -0.7337   -0.0610   -0.7289   -0.0565    0.0066    1
    2    4    0   -3    0.0079   -0.1997   -0.0133   -0.1793    0.0294    0
    3   -1    1    1   -0.0253    0.0886   -0.0241    0.0824    0.0063    1
    4    2    2   -1   -0.1972   -0.5825   -0.1976   -0.5890    0.0065    1
    5    2    0   -2    0.0560   -0.2250    0.0566   -0.2258    0.0010    1
    6   -1    5    4   -0.1295    0.1174   -0.1046    0.1173    0.0249    0
    7    1    1   -1    0.1185   -0.5958    0.1201   -0.5972    0.0021    1
    8    2    0   -4    0.1603   -0.2130    0.1441   -0.2219    0.0185    1
    9    1    3    2   -0.1965    0.0510   -0.1940    0.0483    0.0036    1
   10    0    0   -1    0.2270   -0.1228    0.2267   -0.1283    0.0056    1
   11    1    3   -3    0.5057   -0.5016    0.5314   -0.6143    0.1156    0
   12    2    2    1   -0.1837   -0.0361   -0.1815   -0.0378    0.0027    1
   13   -2    0   -3    0.2047   -0.0152    0.1981   -0.0091    0.0089    1
   14   -1    3   -3    0.5753   -0.1299    0.5323   -0.1459    0.0459    0
   15    1    1    0   -0.3361   -0.2353   -0.3358   -0.2354    0.0004    1
   16   -2    0   -1    0.1207    0.0391    0.1256    0.0356    0.0060    1
   17   -1    3   -2    0.7230   -0.0699    0.7260   -0.0804    0.0109    1
   18    0    2   -1    1.0582   -0.4973    1.0655   -0.4953    0.0075    1
   19   -3   -1   -2    0.0508    0.0123    0.0407    0.0272    0.0180    0
   20   -2    2   -1    0.4340    0.1682    0.4436    0.1639    0.0105    1
   21    4    0   -1   -0.0373   -0.0584   -0.0357   -0.0605    0.0027    1
   22   -1    1    0    0.2906    0.3288    0.2970    0.3320    0.0071    1
   23   -2    2    1    0.0351    0.2682    0.0342    0.2676    0.0011    1

###            No.500                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0878    1.7735    1.0983   90.3701  109.2716   90.6717      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0893    1.7792    1.0928   90.0000  109.1959   90.0000      0.0000         0.9968    1.6281
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0179    0.0688    0.0397    0.0000    2.7080    0.0000      0.0000         0.0255    0.0322
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4210    0.3470    0.8068)
 a2 = (   -0.4749    0.2689    0.1422)
 a3 = (   -0.1452   -0.6182    0.7260)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4307    0.3377    0.8034) (    0.0054    0.0198    0.0099)
 a2 = (   -0.4735    0.2678    0.1413) (    0.0189    0.0119    0.0033)
 a3 = (   -0.1393   -0.6284    0.7243) (    0.0239    0.0296    0.0124)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.0836   59.7487  -20.7840    0.4496    1.2853    0.4849
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0000   -0.0017      0.0025    0.0031    0.0477

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.1994         3.6226
# Chi-squares at the beginning and the end of the refinement
    0.3242    0.0068
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7363   -0.0642   -0.7289   -0.0565    0.0107    1
    2    1    1   -1   -0.0133   -0.1797   -0.0133   -0.1793    0.0004    1
    3   -1   -3    2   -0.0251    0.0841   -0.0241    0.0824    0.0019    1
    4    4    2   -2   -0.1910   -0.5894   -0.1976   -0.5890    0.0066    1
    5    2    4   -2    0.0582   -0.2281    0.0566   -0.2258    0.0028    1
    6    0   -6    2   -0.1045    0.1164   -0.1046    0.1173    0.0009    1
    7    4    6   -2    0.1228   -0.5949    0.1201   -0.5972    0.0036    1
    8    1    5   -1    0.1664   -0.2125    0.1441   -0.2219    0.0242    0
    9    1   -3    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0    2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3    0    0.5294   -0.6085    0.5314   -0.6143    0.0061    1
   12    4   -6   -2   -0.1831   -0.0384   -0.1815   -0.0378    0.0017    1
   13   -1    5    1    0.2107   -0.0272    0.1981   -0.0091    0.0220    0
   14    0    6    1    0.4749   -0.1578    0.5323   -0.1459    0.0586    0
   15    4   -2   -2   -0.3378   -0.2411   -0.3358   -0.2354    0.0060    1
   16   -2    4    2    0.1244    0.0351    0.1256    0.0356    0.0013    1
   17    0    6    2    0.7237   -0.0868    0.7260   -0.0804    0.0069    1
   18    1    5    1    0.8475   -0.4333    1.0655   -0.4953    0.2266    0
   19   -1    1    1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20   -1    3    2    0.4431    0.1612    0.4436    0.1639    0.0027    1
   21    2    0   -2   -0.0365   -0.0623   -0.0357   -0.0605    0.0019    1
   22   -1    1    2    0.2979    0.3302    0.2970    0.3320    0.0021    1
   23   -1   -1    2    0.0341    0.2673    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7287   -0.0563   -0.7289   -0.0565    0.0003    1
    2    1    1   -1   -0.0135   -0.1778   -0.0133   -0.1793    0.0015    1
    3   -1   -3    2   -0.0248    0.0850   -0.0241    0.0824    0.0027    1
    4    4    2   -2   -0.1963   -0.5865   -0.1976   -0.5890    0.0028    1
    5    2    4   -2    0.0574   -0.2269    0.0566   -0.2258    0.0014    1
    6    0   -6    2   -0.1040    0.1167   -0.1046    0.1173    0.0008    1
    7    4    6   -2    0.1194   -0.5972    0.1201   -0.5972    0.0007    1
    8    1    5   -1    0.1660   -0.2123    0.1441   -0.2219    0.0239    0
    9    1   -3    0   -0.1927    0.0486   -0.1940    0.0483    0.0014    1
   10    0    2    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    3    0    0.5336   -0.6147    0.5314   -0.6143    0.0022    1
   12    4   -6   -2   -0.1815   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -1    5    1    0.2110   -0.0267    0.1981   -0.0091    0.0218    0
   14    0    6    1    0.4774   -0.1566    0.5323   -0.1459    0.0560    0
   15    4   -2   -2   -0.3367   -0.2369   -0.3358   -0.2354    0.0017    1
   16   -2    4    2    0.1248    0.0353    0.1256    0.0356    0.0009    1
   17    0    6    2    0.7286   -0.0818    0.7260   -0.0804    0.0029    1
   18    1    5    1    0.8593   -0.4337    1.0655   -0.4953    0.2152    0
   19   -1    1    1    0.0417    0.0276    0.0407    0.0272    0.0010    1
   20   -1    3    2    0.4423    0.1641    0.4436    0.1639    0.0013    1
   21    2    0   -2   -0.0354   -0.0608   -0.0357   -0.0605    0.0004    1
   22   -1    1    2    0.2955    0.3308    0.2970    0.3320    0.0019    1
   23   -1   -1    2    0.0343    0.2668    0.0342    0.2676    0.0009    1

###            No.502                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3501    2.2446    0.6967   90.1433  108.6734   90.2078      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3560    2.2786    0.6966   90.0000  111.6772   90.0000      0.0000         1.9466    3.2711
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0528    0.2406    0.0686    0.0000    5.6099    0.0000      0.0000         0.1194    0.0618
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2793   -0.1100   -0.7219)
 a2 = (   -0.2257   -0.3829   -0.0312)
 a3 = (   -0.9533    0.6360   -0.9912)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2601   -0.0912   -0.7442) (    0.0231    0.0172    0.0101)
 a2 = (   -0.2225   -0.3770   -0.0316) (    0.0227    0.0405    0.0026)
 a3 = (   -0.9575    0.6509   -1.0228) (    0.1198    0.0617    0.0180)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -94.3894  109.8611 -122.0449    0.3413    2.1926    0.4231
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0006    0.0503      0.0032    0.0024    0.1128

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.6734         3.4890
# Chi-squares at the beginning and the end of the refinement
    0.1984    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2   -1   -0.7438   -0.0687   -0.7289   -0.0565    0.0192    1
    2   -2   -6    1    0.0101   -0.2025   -0.0133   -0.1793    0.0329    0
    3    1    3   -1   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -3    0   -0.1862   -0.5892   -0.1976   -0.5890    0.0114    1
    5   -2   -4    1    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    1    1   -1   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7   -4   -6    1    0.1256   -0.5911    0.1201   -0.5972    0.0082    1
    8   -2   -2    1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    1   -1   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -2    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -4   -2    1    0.5274   -0.5999    0.5314   -0.6143    0.0149    1
   12    1   -3   -1   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -2    2    1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14   -3    1    1    0.5231   -0.1512    0.5323   -0.1459    0.0106    1
   15    0   -6   -1   -0.3364   -0.2422   -0.3358   -0.2354    0.0068    1
   16   -2    4    1    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17   -4    2    1    0.7164   -0.0882    0.7260   -0.0804    0.0124    1
   18   -6    0    1    1.0221   -0.5038    1.0655   -0.4953    0.0443    1
   19   -3    3    2    0.0257   -0.0034    0.0407    0.0272    0.0341    0
   20   -4    6    1    0.4428    0.1579    0.4436    0.1639    0.0060    1
   21    0   -2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3    0    0.3014    0.3274    0.2970    0.3320    0.0065    1
   23    0    6   -1    0.0368    0.2690    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2   -1   -0.7316   -0.0543   -0.7289   -0.0565    0.0034    1
    2   -2   -6    1    0.0092   -0.2012   -0.0133   -0.1793    0.0313    0
    3    1    3   -1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -3    0   -0.1957   -0.5874   -0.1976   -0.5890    0.0025    1
    5   -2   -4    1    0.0567   -0.2265    0.0566   -0.2258    0.0007    1
    6    1    1   -1   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -4   -6    1    0.1207   -0.5973    0.1201   -0.5972    0.0006    1
    8   -2   -2    1    0.1446   -0.2229    0.1441   -0.2219    0.0010    1
    9    1   -1   -1   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10   -2    0    1    0.2270   -0.1286    0.2267   -0.1283    0.0004    1
   11   -4   -2    1    0.5367   -0.6122    0.5314   -0.6143    0.0057    1
   12    1   -3   -1   -0.1805   -0.0378   -0.1815   -0.0378    0.0010    1
   13   -2    2    1    0.1984   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    1    1    0.5295   -0.1484    0.5323   -0.1459    0.0037    1
   15    0   -6   -1   -0.3363   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -2    4    1    0.1258    0.0353    0.1256    0.0356    0.0004    1
   17   -4    2    1    0.7267   -0.0784    0.7260   -0.0804    0.0021    1
   18   -5    1    1    0.9397   -0.2770    1.0655   -0.4953    0.2519    0
   19   -3    3    2    0.0255   -0.0039    0.0407    0.0272    0.0347    0
   20   -4    6    1    0.4411    0.1644    0.4436    0.1639    0.0026    1
   21    0   -2    0   -0.0349   -0.0596   -0.0357   -0.0605    0.0012    1
   22   -1    3    0    0.2946    0.3298    0.2970    0.3320    0.0032    1
   23    0    6   -1    0.0346    0.2667    0.0342    0.2676    0.0011    1

###            No.504                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3651    2.2597    0.6888   90.7719  109.6834   90.6828      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3560    2.2786    0.6966   90.0000  111.6772   90.0000      0.0000         1.9466    3.2711
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0528    0.2406    0.0686    0.0000    5.6099    0.0000      0.0000         0.1194    0.0618
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2718    0.0853    0.7241)
 a2 = (   -0.2242   -0.3804   -0.0310)
 a3 = (    0.9587   -0.6799    0.9985)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2601    0.0912    0.7442) (    0.0231    0.0172    0.0101)
 a2 = (   -0.2225   -0.3770   -0.0316) (    0.0227    0.0405    0.0026)
 a3 = (    0.9575   -0.6509    1.0228) (    0.1198    0.0617    0.0180)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   94.3894   70.1389   57.9551    0.3413    2.1926    0.4231
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0006    0.0503      0.0032    0.0024    0.1128

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.8675         3.4890
# Chi-squares at the beginning and the end of the refinement
    0.6082    0.0180
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    1   -0.7512   -0.0432   -0.7289   -0.0565    0.0260    1
    2    2   -6   -1    0.0101   -0.2025   -0.0133   -0.1793    0.0329    0
    3   -1    3    1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    1   -3    0   -0.1967   -0.6020   -0.1976   -0.5890    0.0130    1
    5    2   -4   -1    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6   -1    1    1   -0.1053    0.1199   -0.1046    0.1173    0.0027    1
    7    4   -6   -1    0.1280   -0.6037    0.1201   -0.5972    0.0103    1
    8    2   -2   -1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9   -1   -1    1   -0.1962    0.0519   -0.1940    0.0483    0.0042    1
   10    2    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    4   -2   -1    0.5467   -0.6098    0.5314   -0.6143    0.0159    1
   12   -1   -3    1   -0.1858   -0.0367   -0.1815   -0.0378    0.0044    1
   13    2    2   -1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14    3    1   -1    0.5309   -0.1476    0.5323   -0.1459    0.0022    1
   15    0   -6    1   -0.3465   -0.2410   -0.3358   -0.2354    0.0121    1
   16    2    4   -1    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17    4    2   -1    0.7281   -0.0760    0.7260   -0.0804    0.0048    1
   18    6    0   -1    1.0664   -0.4908    1.0655   -0.4953    0.0046    1
   19    2    6   -1    0.0739    0.0371    0.0407    0.0272    0.0346    0
   20    4    6   -1    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    0   -2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    3    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    0    6    1    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    1   -0.7316   -0.0543   -0.7289   -0.0565    0.0034    1
    2    2   -6   -1    0.0092   -0.2012   -0.0133   -0.1793    0.0313    0
    3   -1    3    1   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -3    0   -0.1957   -0.5874   -0.1976   -0.5890    0.0025    1
    5    2   -4   -1    0.0567   -0.2265    0.0566   -0.2258    0.0007    1
    6   -1    1    1   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7    4   -6   -1    0.1207   -0.5973    0.1201   -0.5972    0.0006    1
    8    2   -2   -1    0.1446   -0.2229    0.1441   -0.2219    0.0010    1
    9   -1   -1    1   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10    2    0   -1    0.2270   -0.1286    0.2267   -0.1283    0.0004    1
   11    4   -2   -1    0.5367   -0.6122    0.5314   -0.6143    0.0057    1
   12   -1   -3    1   -0.1805   -0.0378   -0.1815   -0.0378    0.0010    1
   13    2    2   -1    0.1984   -0.0087    0.1981   -0.0091    0.0005    1
   14    3    1   -1    0.5295   -0.1484    0.5323   -0.1459    0.0037    1
   15    0   -6    1   -0.3363   -0.2368   -0.3358   -0.2354    0.0015    1
   16    2    4   -1    0.1258    0.0353    0.1256    0.0356    0.0004    1
   17    4    2   -1    0.7267   -0.0784    0.7260   -0.0804    0.0021    1
   18    5    1   -1    0.9397   -0.2770    1.0655   -0.4953    0.2519    0
   19    3    3   -2    0.0255   -0.0039    0.0407    0.0272    0.0347    0
   20    4    6   -1    0.4411    0.1644    0.4436    0.1639    0.0026    1
   21    0   -2    0   -0.0349   -0.0596   -0.0357   -0.0605    0.0012    1
   22    1    3    0    0.2946    0.3298    0.2970    0.3320    0.0032    1
   23    0    6    1    0.0346    0.2667    0.0342    0.2676    0.0011    1

###            No.507                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8885    1.8553    0.6011   89.7286  108.1755   91.7824      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.9107    1.8261    0.6043   90.0000  108.4695   90.0000      0.0000         3.1617    3.0216
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0087    0.0831    0.0096    0.0000    0.7822    0.0000      0.0000         0.0493    0.1291
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5319    0.1509   -0.0722)
 a2 = (   -0.0826    0.1032   -0.5228)
 a3 = (    0.1271    1.7188    0.3099)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5264    0.1494   -0.0708) (    0.0015    0.0051    0.0035)
 a2 = (   -0.0999    0.1017   -0.5287) (    0.0078    0.0074    0.0231)
 a3 = (    0.1343    1.7126    0.3039) (    0.0160    0.0266    0.0128)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4310   76.9071 -165.8847    0.3795    0.4235    0.5505
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0002   -0.0041      0.0023    0.0029    0.0430

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.5662         3.4686
# Chi-squares at the beginning and the end of the refinement
    0.2416    0.0072
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0    0    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1   -1   -1   -0.0226    0.0776   -0.0241    0.0824    0.0050    1
    4    1   -3    2   -0.1851   -0.5870   -0.1976   -0.5890    0.0127    1
    5   -2    0    2    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6    5   -3   -2   -0.0975    0.1100   -0.1046    0.1173    0.0102    1
    7   -1   -1    1    0.1296   -0.5893    0.1201   -0.5972    0.0124    1
    8   -2    0    1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    7   -3   -1   -0.1842    0.0466   -0.1940    0.0483    0.0100    1
   10   -4    0    1    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11   -5   -3    2    0.5346   -0.5881    0.5314   -0.6143    0.0264    1
   12    3   -1    0   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -6    0    1    0.2265   -0.0601    0.1981   -0.0091    0.0584    0
   14   -6   -2    1    0.5910   -0.1238    0.5323   -0.1459    0.0628    0
   15    5   -3    1   -0.3315   -0.2364   -0.3358   -0.2354    0.0044    1
   16   -2    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -7   -3    1    0.7040   -0.0742    0.7260   -0.0804    0.0229    1
   18   -7   -5    2    0.8914   -0.5440    1.0655   -0.4953    0.1808    0
   19   -5   -1   -2    0.0282    0.0428    0.0407    0.0272    0.0200    0
   20   -3   -1    0    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    2    0    1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22   -5   -3   -1    0.2897    0.3176    0.2970    0.3320    0.0161    1
   23   -1   -3   -2    0.0355    0.2570    0.0342    0.2676    0.0108    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7295   -0.0558   -0.7289   -0.0565    0.0010    1
    2    0    0    1   -0.0135   -0.1773   -0.0133   -0.1793    0.0020    1
    3    1   -1   -1   -0.0249    0.0852   -0.0241    0.0824    0.0029    1
    4    1   -3    2   -0.1960   -0.5865   -0.1976   -0.5890    0.0029    1
    5   -2    0    2    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    5   -3   -2   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1   -1    1    0.1197   -0.5970    0.1201   -0.5972    0.0005    1
    8   -2    0    1    0.1449   -0.2227    0.1441   -0.2219    0.0011    1
    9    7   -3   -1   -0.1925    0.0485   -0.1940    0.0483    0.0015    1
   10   -4    0    1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11   -5   -3    2    0.5341   -0.6140    0.5314   -0.6143    0.0027    1
   12    3   -1    0   -0.1811   -0.0376   -0.1815   -0.0378    0.0005    1
   13   -6    0    1    0.2258   -0.0611    0.1981   -0.0091    0.0589    0
   14   -6   -2    1    0.6067   -0.1318    0.5323   -0.1459    0.0758    0
   15    5   -3    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0016    1
   16   -2    0    0    0.1253    0.0353    0.1256    0.0356    0.0005    1
   17   -7   -3    1    0.7282   -0.0813    0.7260   -0.0804    0.0023    1
   18   -7   -5    2    0.9141   -0.5865    1.0655   -0.4953    0.1767    0
   19   -6    0   -1    0.0230    0.0177    0.0407    0.0272    0.0201    0
   20   -3   -1    0    0.4423    0.1641    0.4436    0.1639    0.0013    1
   21    2    0    1   -0.0351   -0.0603   -0.0357   -0.0605    0.0006    1
   22   -5   -3   -1    0.2956    0.3307    0.2970    0.3320    0.0019    1
   23   -1   -3   -2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.510                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8126    0.8554    1.5708   89.2379  124.7781   91.1881      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7814    0.8660    1.5576   90.0000  123.6627   90.0000      0.0000         1.1437    0.5560
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.1061    0.0423    0.0415    0.0000    5.1252    0.0000      0.0000         0.0498    0.0364
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4285    0.2776   -0.4366)
 a2 = (   -0.5921   -1.0046   -0.0865)
 a3 = (   -0.6527    0.3695    0.1954)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4210    0.2854   -0.4429) (    0.0256    0.0097    0.0301)
 a2 = (   -0.5853   -0.9920   -0.0827) (    0.0280    0.0497    0.0055)
 a3 = (   -0.6486    0.3659    0.2012) (    0.0325    0.0200    0.0151)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -96.2243   41.3455 -115.8608    0.3879    3.4231    0.5720
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0373      0.0024    0.0024    0.1110

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.2159         3.4164
# Chi-squares at the beginning and the end of the refinement
    0.2475    0.0164
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3   -1    0   -0.7375   -0.0675   -0.7289   -0.0565    0.0139    1
    2    0   -4    3   -0.0145   -0.1807   -0.0133   -0.1793    0.0018    1
    3   -1    1   -1   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -1   -1    1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    0   -2    3    0.0569   -0.2294    0.0566   -0.2258    0.0036    1
    6   -3    1   -3   -0.1075    0.1195   -0.1046    0.1173    0.0036    1
    7   -1   -1    2    0.1167   -0.6007    0.1201   -0.5972    0.0049    1
    8    0   -2    6    0.1451   -0.2245    0.1441   -0.2219    0.0028    1
    9   -3   -1   -3   -0.1993    0.0487   -0.1940    0.0483    0.0053    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3   -1    6    0.5310   -0.6221    0.5314   -0.6143    0.0079    1
   12   -1   -1   -1   -0.1873   -0.0400   -0.1815   -0.0378    0.0062    1
   13    0    2    6    0.1956   -0.0080    0.1981   -0.0091    0.0028    1
   14   -3    1    7    0.6444   -0.1246    0.5323   -0.1459    0.1142    0
   15   -1   -1    0   -0.3400   -0.2422   -0.3358   -0.2354    0.0080    1
   16    0    2    3    0.1215    0.0348    0.1256    0.0356    0.0042    1
   17   -3    1    6    0.7331   -0.0864    0.7260   -0.0804    0.0093    1
   18   -2    0    3    1.0581   -0.5317    1.0655   -0.4953    0.0371    1
   19    0    4    3    0.0382    0.0257    0.0407    0.0272    0.0030    1
   20   -1    1    2    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21    0   -2    0   -0.0377   -0.0639   -0.0357   -0.0605    0.0039    1
   22   -1    1    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    1    0    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3   -1    0   -0.7310   -0.0543   -0.7289   -0.0565    0.0030    1
    2    0   -4    3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    1   -1   -0.0251    0.0851   -0.0241    0.0824    0.0029    1
    4   -1   -1    1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0   -2    3    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -3    1   -3   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -1   -1    2    0.1208   -0.5973    0.1201   -0.5972    0.0007    1
    8    0   -2    6    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -3   -1   -3   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -3   -1    6    0.5362   -0.6122    0.5314   -0.6143    0.0052    1
   12   -1   -1   -1   -0.1809   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0    2    6    0.1980   -0.0088    0.1981   -0.0091    0.0003    1
   14   -3    1    7    0.6401   -0.1187    0.5323   -0.1459    0.1111    0
   15   -1   -1    0   -0.3366   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0    2    3    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -3    1    6    0.7267   -0.0791    0.7260   -0.0804    0.0014    1
   18   -4    0    7    0.8598   -0.4279    1.0655   -0.4953    0.2164    0
   19    0    4    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    1    2    0.4411    0.1640    0.4436    0.1639    0.0024    1
   21    0   -2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1    1    1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -1    1    0    0.0345    0.2665    0.0342    0.2676    0.0012    1

###            No.511                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8186    0.8554    1.5730   89.4509  125.1656   90.9100      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7814    0.8660    1.5886   90.0000  125.3035   90.0000      0.0000         1.1214    0.5451
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0214    0.0878    0.1470    0.0000    0.9718    0.0000      0.0000         0.1077    0.0100
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2290   -0.0760   -0.6279)
 a2 = (    0.5918    1.0053    0.0783)
 a3 = (    0.6549   -0.3708   -0.1960)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2275   -0.0805   -0.6441) (    0.0200    0.0153    0.0089)
 a2 = (    0.5853    0.9920    0.0827) (    0.0579    0.1020    0.0062)
 a3 = (    0.6486   -0.3659   -0.2012) (    0.0670    0.0392    0.0047)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -85.6262   69.9102   57.9535    0.3374    2.2058    0.3946
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0373      0.0024    0.0024    0.1110

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.8013         3.4164
# Chi-squares at the beginning and the end of the refinement
    0.1891    0.0164
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3    1    3   -0.7318   -0.0474   -0.7289   -0.0565    0.0095    1
    2    0    4   -3   -0.0137   -0.1745   -0.0133   -0.1793    0.0049    1
    3   -1   -1    2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1    1    0   -0.1969   -0.5870   -0.1976   -0.5890    0.0021    1
    5    0    2   -3    0.0561   -0.2244    0.0566   -0.2258    0.0014    1
    6   -3   -1    6   -0.1040    0.1178   -0.1046    0.1173    0.0008    1
    7   -1    1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    0    2   -6    0.1436   -0.2216    0.1441   -0.2219    0.0006    1
    9   -3    1    6   -0.1921    0.0497   -0.1940    0.0483    0.0024    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3    1   -3    0.5390   -0.6138    0.5314   -0.6143    0.0076    1
   12   -1    1    2   -0.1803   -0.0366   -0.1815   -0.0378    0.0017    1
   13    0   -2   -6    0.1991   -0.0083    0.1981   -0.0091    0.0012    1
   14   -3   -1   -4    0.6432   -0.1164    0.5323   -0.1459    0.1148    0
   15   -1    1    1   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16    0   -2   -3    0.1268    0.0362    0.1256    0.0356    0.0013    1
   17   -3   -1   -3    0.7302   -0.0754    0.7260   -0.0804    0.0065    1
   18   -2    0   -1    1.0687   -0.5021    1.0655   -0.4953    0.0075    1
   19    0   -4   -3    0.0438    0.0294    0.0407    0.0272    0.0037    1
   20   -1   -1   -1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    0    2    0   -0.0340   -0.0578   -0.0357   -0.0605    0.0032    1
   22   -1   -1    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1   -1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3    1    3   -0.7310   -0.0543   -0.7289   -0.0565    0.0030    1
    2    0    4   -3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -1    2   -0.0251    0.0851   -0.0241    0.0824    0.0029    1
    4   -1    1    0   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0    2   -3    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -3   -1    6   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7   -1    1   -1    0.1208   -0.5973    0.1201   -0.5972    0.0007    1
    8    0    2   -6    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -3    1    6   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -3    1   -3    0.5362   -0.6122    0.5314   -0.6143    0.0052    1
   12   -1    1    2   -0.1809   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0   -2   -6    0.1980   -0.0088    0.1981   -0.0091    0.0003    1
   14   -3   -1   -4    0.6401   -0.1187    0.5323   -0.1459    0.1111    0
   15   -1    1    1   -0.3366   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0   -2   -3    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -3   -1   -3    0.7267   -0.0791    0.7260   -0.0804    0.0014    1
   18   -4    0   -3    0.8598   -0.4279    1.0655   -0.4953    0.2164    0
   19    0   -4   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1   -1    0.4411    0.1640    0.4436    0.1639    0.0024    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1   -1    0    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23   -1   -1    1    0.0345    0.2665    0.0342    0.2676    0.0012    1

###            No.514                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8178    0.8546    1.5715   89.1098  124.9737   91.2504      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7814    0.8660    1.5576   90.0000  123.6627   90.0000      0.0000         1.1437    0.5560
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.1061    0.0423    0.0415    0.0000    5.1252    0.0000      0.0000         0.0498    0.0364
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4199   -0.2946    0.4333)
 a2 = (   -0.5964   -1.0042   -0.0761)
 a3 = (    0.6540   -0.3702   -0.1958)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4210   -0.2854    0.4429) (    0.0256    0.0097    0.0301)
 a2 = (   -0.5853   -0.9920   -0.0827) (    0.0280    0.0497    0.0055)
 a3 = (    0.6486   -0.3659   -0.2012) (    0.0325    0.0200    0.0151)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   96.2243  138.6545   64.1392    0.3879    3.4231    0.5720
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0373      0.0024    0.0024    0.1110

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.4765         3.4164
# Chi-squares at the beginning and the end of the refinement
    0.2698    0.0164
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1    0   -0.7383   -0.0479   -0.7289   -0.0565    0.0127    1
    2    0   -4   -3   -0.0143   -0.1727   -0.0133   -0.1793    0.0067    1
    3    1    1    1   -0.0256    0.0894   -0.0241    0.0824    0.0072    1
    4    1   -1   -1   -0.1969   -0.5870   -0.1976   -0.5890    0.0021    1
    5    0   -2   -3    0.0551   -0.2235    0.0566   -0.2258    0.0027    1
    6    3    1    3   -0.1052    0.1202   -0.1046    0.1173    0.0030    1
    7    1   -1   -2    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    0   -2   -6    0.1429   -0.2214    0.1441   -0.2219    0.0013    1
    9    3   -1    3   -0.1936    0.0502   -0.1940    0.0483    0.0019    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1   -6    0.5404   -0.6120    0.5314   -0.6143    0.0092    1
   12    1   -1    1   -0.1803   -0.0366   -0.1815   -0.0378    0.0017    1
   13    0    2   -6    0.1995   -0.0083    0.1981   -0.0091    0.0016    1
   14    3    1   -7    0.6420   -0.1154    0.5323   -0.1459    0.1138    0
   15    1   -1    0   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16    0    2   -3    0.1276    0.0363    0.1256    0.0356    0.0021    1
   17    3    1   -6    0.7280   -0.0745    0.7260   -0.0804    0.0062    1
   18    2    0   -3    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19    0    4   -3    0.0450    0.0301    0.0407    0.0272    0.0051    1
   20    1    1   -2    0.4419    0.1662    0.4436    0.1639    0.0029    1
   21    0   -2    0   -0.0333   -0.0560   -0.0357   -0.0605    0.0051    1
   22    1    1   -1    0.2960    0.3309    0.2970    0.3320    0.0015    1
   23    1    1    0    0.0367    0.2701    0.0342    0.2676    0.0035    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1    0   -0.7310   -0.0543   -0.7289   -0.0565    0.0030    1
    2    0   -4   -3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    1    1   -0.0251    0.0851   -0.0241    0.0824    0.0029    1
    4    1   -1   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0   -2   -3    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    3    1    3   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    1   -1   -2    0.1208   -0.5973    0.1201   -0.5972    0.0007    1
    8    0   -2   -6    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    3   -1    3   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    3   -1   -6    0.5362   -0.6122    0.5314   -0.6143    0.0052    1
   12    1   -1    1   -0.1809   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0    2   -6    0.1980   -0.0088    0.1981   -0.0091    0.0003    1
   14    3    1   -7    0.6401   -0.1187    0.5323   -0.1459    0.1111    0
   15    1   -1    0   -0.3366   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0    2   -3    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    3    1   -6    0.7267   -0.0791    0.7260   -0.0804    0.0014    1
   18    4    0   -7    0.8598   -0.4279    1.0655   -0.4953    0.2164    0
   19    0    4   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    1   -2    0.4411    0.1640    0.4436    0.1639    0.0024    1
   21    0   -2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1    1   -1    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    1    1    0    0.0345    0.2665    0.0342    0.2676    0.0012    1

###            No.515                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8192    0.8549    1.5741   89.4129  125.2066   90.8189      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7814    0.8660    1.5886   90.0000  125.3035   90.0000      0.0000         1.1214    0.5451
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0214    0.0878    0.1470    0.0000    0.9718    0.0000      0.0000         0.1077    0.0100
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2222    0.0885    0.6288)
 a2 = (    0.5961    1.0033    0.0823)
 a3 = (   -0.6548    0.3707    0.1960)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2275    0.0805    0.6441) (    0.0200    0.0153    0.0089)
 a2 = (    0.5853    0.9920    0.0827) (    0.0579    0.1020    0.0062)
 a3 = (   -0.6486    0.3659    0.2012) (    0.0670    0.0392    0.0047)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   85.6262  110.0898 -122.0465    0.3374    2.2058    0.3946
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0373      0.0024    0.0024    0.1110

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.4618         3.4164
# Chi-squares at the beginning and the end of the refinement
    0.2639    0.0164
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3    1   -3   -0.7242   -0.0599   -0.7289   -0.0565    0.0058    1
    2    0    4    3   -0.0146   -0.1778   -0.0133   -0.1793    0.0020    1
    3    1   -1   -2   -0.0254    0.0858   -0.0241    0.0824    0.0036    1
    4    1    1    0   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    0    2    3    0.0563   -0.2274    0.0566   -0.2258    0.0016    1
    6    3   -1   -6   -0.1055    0.1172   -0.1046    0.1173    0.0008    1
    7    1    1    1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    0    2    6    0.1445   -0.2234    0.1441   -0.2219    0.0015    1
    9    3    1   -6   -0.1936    0.0479   -0.1940    0.0483    0.0006    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    1    3    0.5304   -0.6206    0.5314   -0.6143    0.0064    1
   12    1    1   -2   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    0   -2    6    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    3   -1    4    0.6431   -0.1234    0.5323   -0.1459    0.1131    0
   15    1    1   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0   -2    3    0.1242    0.0352    0.1256    0.0356    0.0015    1
   17    3   -1    3    0.7315   -0.0848    0.7260   -0.0804    0.0071    1
   18    2    0    1    1.0595   -0.5279    1.0655   -0.4953    0.0332    1
   19    0   -4    3    0.0412    0.0275    0.0407    0.0272    0.0005    1
   20    1   -1    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    2    0   -0.0360   -0.0606   -0.0357   -0.0605    0.0004    1
   22    1   -1    0    0.2969    0.3319    0.2970    0.3320    0.0002    1
   23    1   -1   -1    0.0341    0.2683    0.0342    0.2676    0.0007    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3    1   -3   -0.7310   -0.0543   -0.7289   -0.0565    0.0030    1
    2    0    4    3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -1   -2   -0.0251    0.0851   -0.0241    0.0824    0.0029    1
    4    1    1    0   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    0    2    3    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    3   -1   -6   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    1    1    1    0.1208   -0.5973    0.1201   -0.5972    0.0007    1
    8    0    2    6    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    3    1   -6   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    3    1    3    0.5362   -0.6122    0.5314   -0.6143    0.0052    1
   12    1    1   -2   -0.1809   -0.0379   -0.1815   -0.0378    0.0007    1
   13    0   -2    6    0.1980   -0.0088    0.1981   -0.0091    0.0003    1
   14    3   -1    4    0.6401   -0.1187    0.5323   -0.1459    0.1111    0
   15    1    1   -1   -0.3366   -0.2371   -0.3358   -0.2354    0.0018    1
   16    0   -2    3    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    3   -1    3    0.7267   -0.0791    0.7260   -0.0804    0.0014    1
   18    4    0    3    0.8598   -0.4279    1.0655   -0.4953    0.2164    0
   19    0   -4    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -1    1    0.4411    0.1640    0.4436    0.1639    0.0024    1
   21    0    2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1   -1    0    0.2948    0.3297    0.2970    0.3320    0.0032    1
   23    1   -1   -1    0.0345    0.2665    0.0342    0.2676    0.0012    1

###            No.516                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3855    2.2487    0.6817   90.2144  109.6718   90.1857      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3759    2.2430    0.6862   90.0000  109.1971   90.0000      0.0000         2.0052    3.2687
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0226    0.0651    0.0158    0.0000    2.7054    0.0000      0.0000         0.0513    0.0821
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1011   -0.4922    0.5788)
 a2 = (    0.3745   -0.2120   -0.1121)
 a3 = (    0.7011    0.5447    1.2801)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1105   -0.4995    0.5749) (    0.0169    0.0121    0.0136)
 a2 = (    0.3757   -0.2122   -0.1121) (    0.0114    0.0072    0.0027)
 a3 = (    0.6832    0.5356    1.2758) (    0.0224    0.0341    0.0345)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  108.6036   52.0264  138.8397    0.3988    1.7452    0.6518
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0001   -0.0010      0.0025    0.0031    0.0475

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9597         3.4086
# Chi-squares at the beginning and the end of the refinement
    0.0838    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    1   -0.7232   -0.0602   -0.7289   -0.0565    0.0068    1
    2   -2   -2    1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    4    6   -1   -0.0265    0.0877   -0.0241    0.0824    0.0058    1
    4   -1   -1    1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5   -2   -4    1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1    3    0   -0.1069    0.1180   -0.1046    0.1173    0.0024    1
    7   -1   -3    1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8   -2   -6    1    0.1107   -0.2308    0.1441   -0.2219    0.0345    0
    9    0    6    1   -0.1943    0.0479   -0.1940    0.0483    0.0004    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -6    1    0.5305   -0.6235    0.5314   -0.6143    0.0092    1
   12   -1    3    1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    2   -6   -1    0.1735    0.0142    0.1981   -0.0091    0.0339    0
   14    1   -5    0    0.5332   -0.1534    0.5323   -0.1459    0.0075    1
   15   -1    1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2   -4   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3    0    0.7371   -0.0866    0.7260   -0.0804    0.0127    1
   18    1   -7    1    0.8289   -0.6301    1.0655   -0.4953    0.2723    0
   19    2   -2   -1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    4   -6   -1    0.4480    0.1659    0.4436    0.1639    0.0048    1
   21   -2    0    1   -0.0351   -0.0594   -0.0357   -0.0605    0.0012    1
   22    4   -2   -1    0.2992    0.3371    0.2970    0.3320    0.0056    1
   23    4    2   -1    0.0330    0.2720    0.0342    0.2676    0.0045    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    1   -0.7288   -0.0564   -0.7289   -0.0565    0.0002    1
    2   -2   -2    1   -0.0134   -0.1777   -0.0133   -0.1793    0.0016    1
    3    4    6   -1   -0.0247    0.0851   -0.0241    0.0824    0.0027    1
    4   -1   -1    1   -0.1961   -0.5864   -0.1976   -0.5890    0.0030    1
    5   -2   -4    1    0.0575   -0.2268    0.0566   -0.2258    0.0013    1
    6    1    3    0   -0.1040    0.1169   -0.1046    0.1173    0.0008    1
    7   -1   -3    1    0.1196   -0.5971    0.1201   -0.5972    0.0005    1
    8   -2   -6    1    0.1117   -0.2311    0.1441   -0.2219    0.0337    0
    9    0    6    1   -0.1928    0.0487   -0.1940    0.0483    0.0013    1
   10    0   -2    0    0.2270   -0.1278    0.2267   -0.1283    0.0006    1
   11    0   -6    1    0.5343   -0.6145    0.5314   -0.6143    0.0029    1
   12   -1    3    1   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    2   -6   -1    0.1726    0.0144    0.1981   -0.0091    0.0347    0
   14    1   -5    0    0.5298   -0.1493    0.5323   -0.1459    0.0042    1
   15   -1    1    1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16    2   -4   -1    0.1246    0.0355    0.1256    0.0356    0.0010    1
   17    1   -3    0    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18    1   -7    1    0.8294   -0.6129    1.0655   -0.4953    0.2638    0
   19    2   -2   -1    0.0415    0.0277    0.0407    0.0272    0.0009    1
   20    4   -6   -1    0.4417    0.1647    0.4436    0.1639    0.0020    1
   21   -2    0    1   -0.0354   -0.0608   -0.0357   -0.0605    0.0004    1
   22    4   -2   -1    0.2947    0.3308    0.2970    0.3320    0.0026    1
   23    4    2   -1    0.0342    0.2666    0.0342    0.2676    0.0011    1

###            No.517                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3759    2.2411    0.6866   90.0454  109.1481   89.9526      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3759    2.2430    0.6862   90.0000  109.1971   90.0000      0.0000         2.0052    3.2687
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0226    0.0651    0.0158    0.0000    2.7054    0.0000      0.0000         0.0513    0.0821
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1116    0.5011   -0.5730)
 a2 = (    0.3758   -0.2127   -0.1125)
 a3 = (   -0.6820   -0.5314   -1.2765)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1105    0.4995   -0.5749) (    0.0169    0.0121    0.0136)
 a2 = (    0.3757   -0.2122   -0.1121) (    0.0114    0.0072    0.0027)
 a3 = (   -0.6832   -0.5356   -1.2758) (    0.0224    0.0341    0.0345)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -108.6036  127.9736  -41.1603    0.3988    1.7452    0.6518
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0001   -0.0010      0.0025    0.0031    0.0475

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.2255         3.4086
# Chi-squares at the beginning and the end of the refinement
    0.0289    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2   -1   -0.7296   -0.0539   -0.7289   -0.0565    0.0027    1
    2    2   -2   -1   -0.0141   -0.1803   -0.0133   -0.1793    0.0013    1
    3   -4    6    1   -0.0243    0.0822   -0.0241    0.0824    0.0003    1
    4    1   -1   -1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    2   -4   -1    0.0574   -0.2290    0.0566   -0.2258    0.0033    1
    6   -1    3    0   -0.1027    0.1152   -0.1046    0.1173    0.0028    1
    7    1   -3   -1    0.1197   -0.5992    0.1201   -0.5972    0.0020    1
    8    2   -6   -1    0.1118   -0.2329    0.1441   -0.2219    0.0341    0
    9    0    6   -1   -0.1925    0.0488   -0.1940    0.0483    0.0016    1
   10    0   -2    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -6   -1    0.5345   -0.6145    0.5314   -0.6143    0.0031    1
   12    1    3   -1   -0.1829   -0.0375   -0.1815   -0.0378    0.0013    1
   13   -2   -6    1    0.1712    0.0139    0.1981   -0.0091    0.0355    0
   14   -1   -5    0    0.5283   -0.1493    0.5323   -0.1459    0.0053    1
   15    1    1   -1   -0.3389   -0.2376   -0.3358   -0.2354    0.0038    1
   16   -2   -4    1    0.1228    0.0348    0.1256    0.0356    0.0029    1
   17   -1   -3    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -1   -7   -1    0.8290   -0.6115    1.0655   -0.4953    0.2635    0
   19   -2   -2    1    0.0394    0.0264    0.0407    0.0272    0.0016    1
   20   -4   -6    1    0.4389    0.1634    0.4436    0.1639    0.0047    1
   21    2    0   -1   -0.0372   -0.0631   -0.0357   -0.0605    0.0030    1
   22   -4   -2    1    0.2920    0.3278    0.2970    0.3320    0.0066    1
   23   -4    2    1    0.0334    0.2627    0.0342    0.2676    0.0050    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2   -1   -0.7288   -0.0564   -0.7289   -0.0565    0.0002    1
    2    2   -2   -1   -0.0134   -0.1777   -0.0133   -0.1793    0.0016    1
    3   -4    6    1   -0.0247    0.0851   -0.0241    0.0824    0.0027    1
    4    1   -1   -1   -0.1961   -0.5864   -0.1976   -0.5890    0.0030    1
    5    2   -4   -1    0.0575   -0.2268    0.0566   -0.2258    0.0013    1
    6   -1    3    0   -0.1040    0.1169   -0.1046    0.1173    0.0008    1
    7    1   -3   -1    0.1196   -0.5971    0.1201   -0.5972    0.0005    1
    8    2   -6   -1    0.1117   -0.2311    0.1441   -0.2219    0.0337    0
    9    0    6   -1   -0.1928    0.0487   -0.1940    0.0483    0.0013    1
   10    0   -2    0    0.2270   -0.1278    0.2267   -0.1283    0.0006    1
   11    0   -6   -1    0.5343   -0.6145    0.5314   -0.6143    0.0029    1
   12    1    3   -1   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -2   -6    1    0.1726    0.0144    0.1981   -0.0091    0.0347    0
   14   -1   -5    0    0.5298   -0.1493    0.5323   -0.1459    0.0042    1
   15    1    1   -1   -0.3365   -0.2370   -0.3358   -0.2354    0.0018    1
   16   -2   -4    1    0.1246    0.0355    0.1256    0.0356    0.0010    1
   17   -1   -3    0    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18   -1   -7   -1    0.8294   -0.6129    1.0655   -0.4953    0.2638    0
   19   -2   -2    1    0.0415    0.0277    0.0407    0.0272    0.0009    1
   20   -4   -6    1    0.4417    0.1647    0.4436    0.1639    0.0020    1
   21    2    0   -1   -0.0354   -0.0608   -0.0357   -0.0605    0.0004    1
   22   -4   -2    1    0.2947    0.3308    0.2970    0.3320    0.0026    1
   23   -4    2    1    0.0342    0.2666    0.0342    0.2676    0.0011    1

###            No.521                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7201    1.4004    1.0066   90.7356  124.4187   89.8947      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7171    1.4305    1.0100   90.0000  126.2743   90.0000      0.0000         1.7001    1.4163
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0245    0.0343    0.0181    0.0000    1.1134    0.0000      0.0000         0.0200    0.0312
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3791    0.2389   -0.5440)
 a2 = (    0.5812    0.0335    0.4137)
 a3 = (    0.6075   -0.7022   -0.7670)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3980    0.2298   -0.5574) (    0.0056    0.0099    0.0045)
 a2 = (    0.5603    0.0393    0.4162) (    0.0162    0.0060    0.0068)
 a3 = (    0.6308   -0.7059   -0.7823) (    0.0101    0.0155    0.0087)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -52.3440  102.9383   13.8181    0.4957    0.7917    0.4793
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0076   -0.0017    0.0091      0.0024    0.0027    0.0125

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.1797         3.3760
# Chi-squares at the beginning and the end of the refinement
    0.9160    0.2567
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7094   -0.0409   -0.7289   -0.0565    0.0250    1
    2    5    1   -4   -0.0022   -0.1887   -0.0133   -0.1793    0.0145    1
    3   -7    1    5   -0.0136    0.0725   -0.0241    0.0824    0.0144    1
    4    1    1   -1   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5    2    0   -2    0.0543   -0.2238    0.0566   -0.2258    0.0030    1
    6   -1    1    1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    3    1   -5    0.1735   -0.5603    0.1201   -0.5972    0.0648    0
    8    3   -1   -4    0.1220   -0.2273    0.1441   -0.2219    0.0227    0
    9    0    6    2   -0.1892    0.0484   -0.1940    0.0483    0.0048    1
   10    0   -2   -2    0.2258   -0.1270    0.2267   -0.1283    0.0016    1
   11    0    0   -1    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12    2    4    0   -0.1769   -0.0351   -0.1815   -0.0378    0.0054    1
   13   -2   -4   -2    0.2176   -0.0401    0.1981   -0.0091    0.0367    0
   14   -1   -1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    4    6   -2   -0.3334   -0.2253   -0.3358   -0.2354    0.0103    1
   16   -1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -4   -2   -2    0.7332   -0.0719    0.7260   -0.0804    0.0111    1
   18   -2    0   -2    1.0886   -0.5113    1.0655   -0.4953    0.0281    1
   19   -7   -3    3    0.0316    0.0476    0.0407    0.0272    0.0223    0
   20   -4   -2    0    0.4394    0.1677    0.4436    0.1639    0.0057    1
   21    4    2   -2   -0.0338   -0.0560   -0.0357   -0.0605    0.0049    1
   22   -6   -2    1    0.3674    0.2860    0.2970    0.3320    0.0841    0
   23   -2    0    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2    0   -0.7401   -0.0531   -0.7289   -0.0565    0.0117    1
    2    5    1   -4   -0.0088   -0.1891   -0.0133   -0.1793    0.0107    1
    3   -7    1    5   -0.0215    0.0747   -0.0241    0.0824    0.0081    1
    4    1    1   -1   -0.2042   -0.5873   -0.1976   -0.5890    0.0068    1
    5    2    0   -2    0.0483   -0.2260    0.0566   -0.2258    0.0083    1
    6   -1    1    1   -0.1125    0.1169   -0.1046    0.1173    0.0079    1
    7    3    1   -5    0.1758   -0.5594    0.1201   -0.5972    0.0672    0
    8    3   -1   -4    0.1171   -0.2308    0.1441   -0.2219    0.0284    0
    9    0    6    2   -0.1953    0.0461   -0.1940    0.0483    0.0026    1
   10    0   -2   -2    0.2244   -0.1315    0.2267   -0.1283    0.0039    1
   11    0    0   -1    0.5380   -0.6123    0.5314   -0.6143    0.0069    1
   12    2    4    0   -0.1799   -0.0367   -0.1815   -0.0378    0.0019    1
   13   -2   -4   -2    0.2186   -0.0435    0.1981   -0.0091    0.0400    0
   14   -1   -1   -1    0.5279   -0.1489    0.5323   -0.1459    0.0053    1
   15    4    6   -2   -0.3391   -0.2322   -0.3358   -0.2354    0.0046    1
   16   -1   -1    0    0.1277    0.0363    0.1256    0.0356    0.0023    1
   17   -4   -2   -2    0.7230   -0.0778    0.7260   -0.0804    0.0039    1
   18   -2    0   -2    1.0552   -0.4936    1.0655   -0.4953    0.0105    1
   19   -7   -3    3    0.0289    0.0528    0.0407    0.0272    0.0281    0
   20   -4   -2    0    0.4420    0.1637    0.4436    0.1639    0.0016    1
   21    4    2   -2   -0.0380   -0.0523   -0.0357   -0.0605    0.0086    1
   22   -6   -2    1    0.3730    0.2844    0.2970    0.3320    0.0897    0
   23   -2    0    1    0.0317    0.2754    0.0342    0.2676    0.0081    1

###            No.522                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    2.7667    0.8711    0.8719   89.8812  107.8500   90.9512      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    2.7624    0.8726    0.8739   90.0000  108.3101   90.0000      0.0000         3.1609    0.9985
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0185    0.0759    0.0736    0.0000    1.1589    0.0000      0.0000         0.2757    0.0148
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0630   -0.0695    0.3680)
 a2 = (   -1.0952   -0.3107    0.1486)
 a3 = (    0.3371   -1.1520    0.1058)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0697   -0.0704    0.3682) (    0.0026    0.0094    0.0019)
 a2 = (   -1.0932   -0.3104    0.1475) (    0.0969    0.0257    0.0066)
 a3 = (    0.3413   -1.1509    0.1074) (    0.0266    0.1026    0.0070)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   82.4090  103.0417   14.1281    0.4811    1.3827    0.3754
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0026      0.0024    0.0024    0.0902

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9434         3.2545
# Chi-squares at the beginning and the end of the refinement
    0.4365    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1    0   -0.7393   -0.0587   -0.7289   -0.0565    0.0106    1
    2    3   -1   -3   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0    0    1   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4    5   -1   -2   -0.1917   -0.5906   -0.1976   -0.5890    0.0061    1
    5    2    0   -2    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1   -1    2   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7    2    0   -1    0.1243   -0.5963    0.1201   -0.5972    0.0043    1
    8    3    1   -3    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2   -2    1   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10    1    1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    5    1   -2    0.5359   -0.6063    0.5314   -0.6143    0.0091    1
   12    1   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3   -1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    5    3   -2    0.5275   -0.1482    0.5323   -0.1459    0.0054    1
   15    4   -2   -1   -0.3375   -0.2397   -0.3358   -0.2354    0.0046    1
   16    0    2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    4    2   -1    0.7221   -0.0801    0.7260   -0.0804    0.0039    1
   18    3    1   -1    0.7327   -0.3728    1.0655   -0.4953    0.3546    0
   19   -1    3    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    1    1    0    0.4407    0.1623    0.4436    0.1639    0.0033    1
   21    1   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    2    1    0.2963    0.3280    0.2970    0.3320    0.0041    1
   23    1    1    2    0.0356    0.2665    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1    0   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    3   -1   -3   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0    0    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    5   -1   -2   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    2    0   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -1    2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    2    0   -1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    3    1   -3    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9    2   -2    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    1    1   -1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    5    1   -2    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    1   -1    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    3   -1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    5    3   -2    0.5293   -0.1494    0.5323   -0.1459    0.0045    1
   15    4   -2   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0    2    0    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    4    2   -1    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18    3    1   -1    0.7377   -0.3789    1.0655   -0.4953    0.3478    0
   19   -1    3    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    1    0    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2    2    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    1    1    2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.527                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    2.7601    0.8719    0.8711   89.8812  107.4358   90.5326      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    2.7724    0.8727    0.8711   90.0000  108.3880   90.0000      0.0000         3.1826    1.0018
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0223    0.0373    0.0403    0.0000    1.3869    0.0000      0.0000         0.1440    0.0151
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0630    0.0695   -0.3680)
 a2 = (    0.2741   -1.0824   -0.2622)
 a3 = (   -1.1582   -0.2411   -0.2194)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0698    0.0705   -0.3669) (    0.0081    0.0040    0.0012)
 a2 = (    0.2723   -1.0823   -0.2599) (    0.0137    0.0478    0.0070)
 a3 = (   -1.1650   -0.2403   -0.2199) (    0.0537    0.0166    0.0066)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2202   82.5697  -74.1398    0.4308    1.2568    0.4650
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9434         3.2545
# Chi-squares at the beginning and the end of the refinement
    0.1394    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0   -1   -0.7393   -0.0587   -0.7289   -0.0565    0.0106    1
    2    1   -3   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1    1    0   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4   -2   -2   -1   -0.1917   -0.5906   -0.1976   -0.5890    0.0061    1
    5    0   -2    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -2    2   -1   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7   -1   -1    0    0.1243   -0.5963    0.1201   -0.5972    0.0043    1
    8   -1   -3    1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    1   -2   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10   -1   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -4   -2    1    0.5359   -0.6063    0.5314   -0.6143    0.0091    1
   12    0    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3   -1    3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -6   -2    3    0.5275   -0.1482    0.5323   -0.1459    0.0054    1
   15   -1   -1   -2   -0.3375   -0.2397   -0.3358   -0.2354    0.0046    1
   16   -2    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -5   -1    2    0.7221   -0.0801    0.7260   -0.0804    0.0039    1
   18   -3   -1    1    0.7327   -0.3728    1.0655   -0.4953    0.3546    0
   19   -3    1    3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -2    0    1    0.4407    0.1623    0.4436    0.1639    0.0033    1
   21    1   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -5    1    2    0.2963    0.3280    0.2970    0.3320    0.0041    1
   23   -4    2    1    0.0356    0.2665    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0   -1   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2    1   -3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -2   -2   -1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0   -2    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2    2   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1   -1    0    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1   -3    1    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9   -1    1   -2   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1    1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -4   -2    1    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12    0    0   -1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -3   -1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -6   -2    3    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15   -1   -1   -2   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16   -2    0    2    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17   -5   -1    2    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18   -3   -1    1    0.7376   -0.3788    1.0655   -0.4953    0.3480    0
   19   -3    1    3    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -2    0    1    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -5    1    2    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23   -4    2    1    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.531                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    2.7844    0.8754    0.8636   89.0771  108.0020   92.5431      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    2.7724    0.8727    0.8711   90.0000  108.3880   90.0000      0.0000         3.1826    1.0018
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0223    0.0373    0.0403    0.0000    1.3869    0.0000      0.0000         0.1440    0.0151
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0704   -0.0850    0.3615)
 a2 = (    0.2707   -1.0807   -0.2572)
 a3 = (    1.1720    0.2440    0.2220)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0698   -0.0705    0.3669) (    0.0081    0.0040    0.0012)
 a2 = (    0.2723   -1.0823   -0.2599) (    0.0137    0.0478    0.0070)
 a3 = (    1.1650    0.2403    0.2199) (    0.0537    0.0166    0.0066)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.2202   97.4303  105.8602    0.4308    1.2568    0.4650
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.1965         3.2545
# Chi-squares at the beginning and the end of the refinement
    2.8063    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    1   -0.7175   -0.0405   -0.7289   -0.0565    0.0197    1
    2   -1   -3    1   -0.0143   -0.1758   -0.0133   -0.1793    0.0036    1
    3    1    1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    2   -2    1   -0.2013   -0.5833   -0.1976   -0.5890    0.0067    1
    5    0   -2    0    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    2    2    1   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    1   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1   -3   -1    0.1435   -0.2185    0.1441   -0.2219    0.0035    1
    9    1    1    2   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    1   -1   -1    0.2223   -0.1218    0.2267   -0.1283    0.0079    1
   11    4   -2   -1    0.5484   -0.6042    0.5314   -0.6143    0.0197    1
   12    0    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    3   -1   -3    0.1888   -0.0050    0.1981   -0.0091    0.0102    1
   14    6   -2   -3    0.5216   -0.1320    0.5323   -0.1459    0.0176    1
   15    1   -1    2   -0.3352   -0.2320   -0.3358   -0.2354    0.0035    1
   16    2    0   -2    0.1163    0.0347    0.1256    0.0356    0.0094    1
   17    5   -1   -2    0.7123   -0.0529    0.7260   -0.0804    0.0307    0
   18    3   -1   -1    0.7433   -0.3512    1.0655   -0.4953    0.3529    0
   19    3    1   -3    0.0363    0.0247    0.0407    0.0272    0.0051    1
   20    2    0   -1    0.4184    0.1679    0.4436    0.1639    0.0255    0
   21   -1   -1    1   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22    5    1   -2    0.2745    0.3179    0.2970    0.3320    0.0265    0
   23    4    2   -1    0.0323    0.2544    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0    1   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2   -1   -3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1    1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2   -2    1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0   -2    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6    2    2    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    1   -1    0    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    1   -3   -1    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9    1    1    2   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    4   -2   -1    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12    0    0    1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13    3   -1   -3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    6   -2   -3    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15    1   -1    2   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16    2    0   -2    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17    5   -1   -2    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18    3   -1   -1    0.7376   -0.3788    1.0655   -0.4953    0.3480    0
   19    3    1   -3    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20    2    0   -1    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21   -1   -1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    5    1   -2    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23    4    2   -1    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.535                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4143    1.4136    1.0004   90.2200   90.3762   90.0117      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4295    1.4316    0.9775   90.0000   91.3336   90.0000      0.0000         1.4623    1.4645
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0020    0.0206    0.0965    0.0000    3.5054    0.0000      0.0000         0.1463    0.1521
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5954    0.3371    0.1782)
 a2 = (   -0.3588   -0.6077   -0.0485)
 a3 = (    0.1764   -0.1857    0.9663)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5883    0.3316    0.1834) (    0.0047    0.0048    0.0200)
 a2 = (   -0.3539   -0.6001   -0.0502) (    0.0063    0.0090    0.0041)
 a3 = (    0.1754   -0.1864    0.9907) (    0.0182    0.0125    0.1058)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  105.3449   15.7672   44.6771    1.1868    1.7087    1.2529
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            169            400
# Figure of merit at the beginning and the end of the refinement
        32.1012         3.2115
# Chi-squares at the beginning and the end of the refinement
    0.0349    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7358   -0.0553   -0.7289   -0.0565    0.0070    1
    2    2   -4    0   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -3    3    1   -0.0256    0.0872   -0.0241    0.0824    0.0051    1
    4    1   -3    1   -0.1957   -0.5881   -0.1976   -0.5890    0.0021    1
    5    1   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -3    1    1   -0.1054    0.1186   -0.1046    0.1173    0.0015    1
    7    3   -3    1    0.1203   -0.5973    0.1201   -0.5972    0.0003    1
    8    4   -2    0    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -3   -1    1   -0.1943    0.0493   -0.1940    0.0483    0.0010    1
   10    2    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -1    1    0.5356   -0.6136    0.5314   -0.6143    0.0042    1
   12   -3   -3    1   -0.1821   -0.0375   -0.1815   -0.0378    0.0006    1
   13    4    2    0    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    5    1    1    0.5303   -0.1497    0.5323   -0.1459    0.0043    1
   15   -1   -3    1   -0.3378   -0.2377   -0.3358   -0.2354    0.0031    1
   16    1    1    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    3    1    1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    2    0    1    1.0584   -0.5097    1.0655   -0.4953    0.0161    1
   19    2    4    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    3    3    1    0.4435    0.1647    0.4436    0.1639    0.0009    1
   21    0   -2    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1    3    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    3    1    0.0350    0.2694    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    2   -4    0   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3    3    1   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    1   -3    1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    1   -1    0    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -3    1    1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    3   -3    1    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    4   -2    0    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -3   -1    1   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    2    0    0    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    3   -1    1    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12   -3   -3    1   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    4    2    0    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    5    1    1    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15   -1   -3    1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    1    1    0    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    3    1    1    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    5    1    2    0.8794   -0.2051    1.0655   -0.4953    0.3447    0
   19    2    4    0    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    3    3    1    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0   -2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1    3    1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23   -1    3    1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.536                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4169    1.4155    0.9973   89.7636   90.4647   90.0818      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4295    1.4316    0.9775   90.0000   91.3336   90.0000      0.0000         1.4623    1.4645
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0020    0.0206    0.0965    0.0000    3.5054    0.0000      0.0000         0.1463    0.1521
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5943   -0.3370   -0.1770)
 a2 = (   -0.3579   -0.6071   -0.0495)
 a3 = (   -0.1736    0.1863   -0.9699)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5883   -0.3316   -0.1834) (    0.0047    0.0048    0.0200)
 a2 = (   -0.3539   -0.6001   -0.0502) (    0.0063    0.0090    0.0041)
 a3 = (   -0.1754    0.1864   -0.9907) (    0.0182    0.0125    0.1058)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -105.3449  164.2328 -135.3229    1.1868    1.7087    1.2529
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            163            400
# Figure of merit at the beginning and the end of the refinement
        22.0792         3.2115
# Chi-squares at the beginning and the end of the refinement
    0.0577    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2   -2   -4    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    3    3   -1   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4   -1   -3   -1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5   -1   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    3    1   -1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7   -3   -3   -1    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8   -4   -2    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    3   -1   -1   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10   -2    0    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -3   -1   -1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    3   -3   -1   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13   -4    2    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -5    1   -1    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15    1   -3   -1   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16   -1    1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -3    1   -1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -2    0   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19   -2    4    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -3    3   -1    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    0   -2    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    3   -1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2   -2   -4    0   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    3   -1   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4   -1   -3   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5   -1   -1    0    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    3    1   -1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -3   -3   -1    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8   -4   -2    0    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    3   -1   -1   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10   -2    0    0    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11   -3   -1   -1    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12    3   -3   -1   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13   -4    2    0    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -5    1   -1    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15    1   -3   -1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16   -1    1    0    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17   -3    1   -1    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18   -5    1   -2    0.8794   -0.2051    1.0655   -0.4953    0.3447    0
   19   -2    4    0    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20   -3    3   -1    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0   -2    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1    3   -1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23    1    3   -1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.539                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8185    0.8510    1.5787   89.8631  125.0554   90.1156      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.8149    0.8554    1.5763   90.0000  125.1811   90.0000      0.0000         1.1514    0.5426
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0250    0.0176    0.0290    0.0000    1.1175    0.0000      0.0000         0.0159    0.0116
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4088   -0.4570    0.2743)
 a2 = (    0.0430   -0.6333   -0.9888)
 a3 = (    0.2316   -0.6165    0.4063)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4102   -0.4596    0.2737) (    0.0071    0.0060    0.0037)
 a2 = (    0.0455   -0.6274   -0.9854) (    0.0068    0.0189    0.0177)
 a3 = (    0.2307   -0.6203    0.4056) (    0.0127    0.0100    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  154.2793   69.3243   57.9040    0.3746    0.5657    0.6775
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004    0.0002    0.0034      0.0021    0.0037    0.0158

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.0271         3.1922
# Chi-squares at the beginning and the end of the refinement
    0.0526    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3   -1    3   -0.7323   -0.0604   -0.7289   -0.0565    0.0052    1
    2   -1   -1   -1   -0.0141   -0.1794   -0.0133   -0.1793    0.0009    1
    3    0    2    6   -0.0253    0.0851   -0.0241    0.0824    0.0030    1
    4   -1   -1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    0   -2   -3    0.0574   -0.2291    0.0566   -0.2258    0.0034    1
    6   -3    1    6   -0.1051    0.1170   -0.1046    0.1173    0.0005    1
    7    0   -4   -3    0.1188   -0.6009    0.1201   -0.5972    0.0039    1
    8    1   -1   -2    0.1460   -0.2249    0.1441   -0.2219    0.0035    1
    9   -2    0    2   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    3   -1   -3    0.2286   -0.1294    0.2267   -0.1283    0.0022    1
   11    1   -1   -1    0.5345   -0.6201    0.5314   -0.6143    0.0066    1
   12   -7   -1    4   -0.1635   -0.0597   -0.1815   -0.0378    0.0284    0
   13    7   -1   -5    0.2126   -0.0270    0.1981   -0.0091    0.0230    0
   14    3   -1   -2    0.5332   -0.1524    0.5323   -0.1459    0.0065    1
   15   -6   -2    3   -0.3382   -0.2385   -0.3358   -0.2354    0.0040    1
   16    2    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    6   -2   -3    0.7339   -0.0849    0.7260   -0.0804    0.0091    1
   18    5   -3   -3    0.8628   -0.4406    1.0655   -0.4953    0.2099    0
   19    7    1   -2    0.0223    0.0176    0.0407    0.0272    0.0208    0
   20    7   -1   -3    0.4517    0.0899    0.4436    0.1639    0.0744    0
   21   -3   -1    0   -0.0362   -0.0613   -0.0357   -0.0605    0.0010    1
   22    2    0    0    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    3    1    3    0.0341    0.2689    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3   -1    3   -0.7284   -0.0563   -0.7289   -0.0565    0.0006    1
    2   -1   -1   -1   -0.0136   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0    2    6   -0.0249    0.0854   -0.0241    0.0824    0.0030    1
    4   -1   -1    0   -0.1964   -0.5862   -0.1976   -0.5890    0.0030    1
    5    0   -2   -3    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6   -3    1    6   -0.1041    0.1169   -0.1046    0.1173    0.0006    1
    7    0   -4   -3    0.1198   -0.5973    0.1201   -0.5972    0.0003    1
    8    1   -1   -2    0.1453   -0.2224    0.1441   -0.2219    0.0013    1
    9   -2    0    2   -0.1925    0.0486   -0.1940    0.0483    0.0015    1
   10    3   -1   -3    0.2270   -0.1276    0.2267   -0.1283    0.0009    1
   11    1   -1   -1    0.5350   -0.6136    0.5314   -0.6143    0.0036    1
   12   -7   -1    4   -0.1620   -0.0589   -0.1815   -0.0378    0.0287    0
   13    7   -1   -5    0.2109   -0.0262    0.1981   -0.0091    0.0214    0
   14    3   -1   -2    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -6   -2    3   -0.3363   -0.2363   -0.3358   -0.2354    0.0011    1
   16    2    0   -1    0.1248    0.0356    0.1256    0.0356    0.0008    1
   17    6   -2   -3    0.7277   -0.0800    0.7260   -0.0804    0.0017    1
   18    5   -3   -3    0.8597   -0.4310    1.0655   -0.4953    0.2156    0
   19    7    1   -2    0.0226    0.0178    0.0407    0.0272    0.0204    0
   20    7   -1   -3    0.4474    0.0905    0.4436    0.1639    0.0734    0
   21   -3   -1    0   -0.0354   -0.0603   -0.0357   -0.0605    0.0004    1
   22    2    0    0    0.2952    0.3306    0.2970    0.3320    0.0023    1
   23    3    1    3    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.541                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.8143    0.8550    1.5750   90.0328  125.0538   90.4413      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.8149    0.8554    1.5763   90.0000  125.1811   90.0000      0.0000         1.1514    0.5426
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0250    0.0176    0.0290    0.0000    1.1175    0.0000      0.0000         0.0159    0.0116
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4098    0.4581   -0.2750)
 a2 = (    0.0520   -0.6230   -0.9885)
 a3 = (   -0.2321    0.6179   -0.4072)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4102    0.4596   -0.2737) (    0.0071    0.0060    0.0037)
 a2 = (    0.0455   -0.6274   -0.9854) (    0.0068    0.0189    0.0177)
 a3 = (   -0.2307    0.6203   -0.4056) (    0.0127    0.0100    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -154.2793  110.6757 -122.0960    0.3746    0.5657    0.6775
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004    0.0002    0.0034      0.0021    0.0037    0.0158

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9618         3.1922
# Chi-squares at the beginning and the end of the refinement
    0.0250    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1   -3   -0.7351   -0.0563   -0.7289   -0.0565    0.0062    1
    2    1   -1    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    0    2   -6   -0.0261    0.0863   -0.0241    0.0824    0.0043    1
    4    1   -1    0   -0.1969   -0.5949   -0.1976   -0.5890    0.0060    1
    5    0   -2    3    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6    3    1   -6   -0.1060    0.1172   -0.1046    0.1173    0.0014    1
    7    0   -4    3    0.1254   -0.6027    0.1201   -0.5972    0.0076    1
    8   -1   -1    2    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    2    0   -2   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -3   -1    3    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11   -1   -1    1    0.5430   -0.6126    0.5314   -0.6143    0.0116    1
   12    7   -1   -4   -0.1635   -0.0593   -0.1815   -0.0378    0.0281    0
   13   -7   -1    5    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14   -3   -1    2    0.5314   -0.1475    0.5323   -0.1459    0.0018    1
   15    6   -2   -3   -0.3402   -0.2387   -0.3358   -0.2354    0.0055    1
   16   -2    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -6   -2    3    0.7296   -0.0786    0.7260   -0.0804    0.0040    1
   18   -5   -3    3    0.8644   -0.4267    1.0655   -0.4953    0.2125    0
   19   -7    1    2    0.0228    0.0181    0.0407    0.0272    0.0201    0
   20   -7   -1    3    0.4494    0.0907    0.4436    0.1639    0.0734    0
   21    3   -1    0   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22   -2    0    0    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -3    1   -3    0.0338    0.2705    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    3   -1   -3   -0.7284   -0.0563   -0.7289   -0.0565    0.0006    1
    2    1   -1    1   -0.0136   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0    2   -6   -0.0249    0.0854   -0.0241    0.0824    0.0030    1
    4    1   -1    0   -0.1964   -0.5862   -0.1976   -0.5890    0.0030    1
    5    0   -2    3    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6    3    1   -6   -0.1041    0.1169   -0.1046    0.1173    0.0006    1
    7    0   -4    3    0.1198   -0.5973    0.1201   -0.5972    0.0003    1
    8   -1   -1    2    0.1453   -0.2224    0.1441   -0.2219    0.0013    1
    9    2    0   -2   -0.1925    0.0486   -0.1940    0.0483    0.0015    1
   10   -3   -1    3    0.2270   -0.1276    0.2267   -0.1283    0.0009    1
   11   -1   -1    1    0.5350   -0.6136    0.5314   -0.6143    0.0036    1
   12    7   -1   -4   -0.1620   -0.0589   -0.1815   -0.0378    0.0287    0
   13   -7   -1    5    0.2109   -0.0262    0.1981   -0.0091    0.0214    0
   14   -3   -1    2    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15    6   -2   -3   -0.3363   -0.2363   -0.3358   -0.2354    0.0011    1
   16   -2    0    1    0.1248    0.0356    0.1256    0.0356    0.0008    1
   17   -6   -2    3    0.7277   -0.0800    0.7260   -0.0804    0.0017    1
   18   -5   -3    3    0.8597   -0.4310    1.0655   -0.4953    0.2156    0
   19   -7    1    2    0.0226    0.0178    0.0407    0.0272    0.0204    0
   20   -7   -1    3    0.4474    0.0905    0.4436    0.1639    0.0734    0
   21    3   -1    0   -0.0354   -0.0603   -0.0357   -0.0605    0.0004    1
   22   -2    0    0    0.2952    0.3306    0.2970    0.3320    0.0023    1
   23   -3    1   -3    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.542                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8550    1.8143    1.3559   89.9681  108.0275   90.4413      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8542    1.8168    1.3563   90.0000  108.1692   90.0000      0.0000         0.6298    1.3395
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0276    0.0772    0.0383    0.0000    5.6400    0.0000      0.0000         0.0147    0.0839
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1680   -0.9320   -0.7849)
 a2 = (    0.5258    0.1491   -0.0714)
 a3 = (    0.2321   -0.6179    0.4072)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1602   -0.9365   -0.7844) (    0.0210    0.0367    0.0479)
 a2 = (    0.5250    0.1493   -0.0710) (    0.0233    0.0060    0.0032)
 a3 = (    0.2310   -0.6193    0.4065) (    0.0074    0.0316    0.0262)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -101.4504   40.5105   24.6253    0.4513    2.9804    0.6096
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004    0.0002    0.0067      0.0025    0.0036    0.1009

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9618         3.1911
# Chi-squares at the beginning and the end of the refinement
    0.1009    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    2   -0.7351   -0.0563   -0.7289   -0.0565    0.0062    1
    2   -1    1   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    2    0    5   -0.0261    0.0863   -0.0241    0.0824    0.0043    1
    4   -1    1    0   -0.1969   -0.5949   -0.1976   -0.5890    0.0060    1
    5   -2    0   -2    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6    1    3    4   -0.1060    0.1172   -0.1046    0.1173    0.0014    1
    7   -4    0   -1    0.1254   -0.6027    0.1201   -0.5972    0.0076    1
    8   -1   -1   -1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    0    2    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1   -3   -1    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11   -1   -1    0    0.5430   -0.6126    0.5314   -0.6143    0.0116    1
   12   -1    7    1   -0.1635   -0.0593   -0.1815   -0.0378    0.0281    0
   13   -1   -7   -1    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14   -1   -3    0    0.5314   -0.1475    0.5323   -0.1459    0.0018    1
   15   -2    6    1   -0.3402   -0.2387   -0.3358   -0.2354    0.0055    1
   16    0   -2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -6    1    0.7296   -0.0786    0.7260   -0.0804    0.0040    1
   18   -3   -5    1    0.8644   -0.4267    1.0655   -0.4953    0.2125    0
   19    1   -7    1    0.0228    0.0181    0.0407    0.0272    0.0201    0
   20   -1   -7    1    0.4494    0.0907    0.4436    0.1639    0.0734    0
   21   -1    3   -1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22    0   -2    1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    1   -3    4    0.0338    0.2705    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    2   -0.7279   -0.0563   -0.7289   -0.0565    0.0011    1
    2   -1    1   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    2    0    5   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    1    0   -0.1966   -0.5862   -0.1976   -0.5890    0.0029    1
    5   -2    0   -2    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6    1    3    4   -0.1042    0.1169   -0.1046    0.1173    0.0005    1
    7   -4    0   -1    0.1198   -0.5974    0.1201   -0.5972    0.0004    1
    8   -1   -1   -1    0.1454   -0.2223    0.1441   -0.2219    0.0014    1
    9    0    2    1   -0.1926    0.0486   -0.1940    0.0483    0.0015    1
   10   -1   -3   -1    0.2270   -0.1274    0.2267   -0.1283    0.0010    1
   11   -1   -1    0    0.5349   -0.6138    0.5314   -0.6143    0.0035    1
   12   -1    7    1   -0.1621   -0.0589   -0.1815   -0.0378    0.0287    0
   13   -1   -7   -1    0.2108   -0.0262    0.1981   -0.0091    0.0212    0
   14   -1   -3    0    0.5293   -0.1487    0.5323   -0.1459    0.0041    1
   15   -2    6    1   -0.3363   -0.2362   -0.3358   -0.2354    0.0010    1
   16    0   -2    0    0.1247    0.0356    0.1256    0.0356    0.0009    1
   17   -2   -6    1    0.7278   -0.0802    0.7260   -0.0804    0.0018    1
   18   -3   -5    1    0.8598   -0.4314    1.0655   -0.4953    0.2154    0
   19    1   -7    1    0.0225    0.0178    0.0407    0.0272    0.0205    0
   20   -1   -7    1    0.4473    0.0905    0.4436    0.1639    0.0735    0
   21   -1    3   -1   -0.0354   -0.0604   -0.0357   -0.0605    0.0003    1
   22    0   -2    1    0.2953    0.3307    0.2970    0.3320    0.0022    1
   23    1   -3    4    0.0343    0.2672    0.0342    0.2676    0.0005    1

###            No.544                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8490    1.8207    1.3582   90.1221  107.7008   89.9434      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8542    1.8168    1.3590   90.0000  108.5035   90.0000      0.0000         0.6286    1.3369
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0207    0.1755    0.1266    0.0000    4.1532    0.0000      0.0000         0.0442    0.0244
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0655   -0.3358   -1.1881)
 a2 = (   -0.5240   -0.1486    0.0711)
 a3 = (   -0.2313    0.6158   -0.4058)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0708   -0.3172   -1.1909) (    0.0186    0.0309    0.0072)
 a2 = (   -0.5250   -0.1493    0.0710) (    0.0517    0.0133    0.0040)
 a3 = (   -0.2310    0.6193   -0.4065) (    0.0141    0.0644    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -82.3863  103.2709 -162.3717    0.4964    1.6620    0.4093
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004    0.0002    0.0067      0.0025    0.0036    0.1009

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.8479         3.1911
# Chi-squares at the beginning and the end of the refinement
    0.0840    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3   -1   -0.7330   -0.0651   -0.7289   -0.0565    0.0095    1
    2   -1   -1    2   -0.0131   -0.1770   -0.0133   -0.1793    0.0023    1
    3    2    0   -7   -0.0256    0.0856   -0.0241    0.0824    0.0035    1
    4   -1   -1    1   -0.1903   -0.5845   -0.1976   -0.5890    0.0086    1
    5   -2    0    4    0.0572   -0.2257    0.0566   -0.2258    0.0006    1
    6    1   -3   -5   -0.1051    0.1172   -0.1046    0.1173    0.0005    1
    7   -4    0    5    0.1197   -0.5917    0.1201   -0.5972    0.0055    1
    8   -1    1    2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    0   -2   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    3    2    0.2262   -0.1288    0.2267   -0.1283    0.0007    1
   11   -1    1    1    0.5253   -0.6116    0.5314   -0.6143    0.0067    1
   12   -1   -7    0   -0.1628   -0.0600   -0.1815   -0.0378    0.0291    0
   13   -1    7    2    0.2115   -0.0274    0.1981   -0.0091    0.0227    0
   14   -1    3    1    0.5282   -0.1537    0.5323   -0.1459    0.0088    1
   15   -2   -6    1   -0.3353   -0.2401   -0.3358   -0.2354    0.0047    1
   16    0    2    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    6    1    0.7281   -0.0888    0.7260   -0.0804    0.0087    1
   18   -3    5    2    0.8490   -0.4400    1.0655   -0.4953    0.2234    0
   19    1    7   -2    0.0227    0.0181    0.0407    0.0272    0.0203    0
   20   -1    7    0    0.4507    0.0882    0.4436    0.1639    0.0760    0
   21   -1   -3    2   -0.0353   -0.0605   -0.0357   -0.0605    0.0004    1
   22    0    2   -1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    1    3   -5    0.0335    0.2689    0.0342    0.2676    0.0014    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3   -1   -0.7279   -0.0563   -0.7289   -0.0565    0.0011    1
    2   -1   -1    2   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    2    0   -7   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -1    1   -0.1966   -0.5862   -0.1976   -0.5890    0.0029    1
    5   -2    0    4    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6    1   -3   -5   -0.1042    0.1169   -0.1046    0.1173    0.0005    1
    7   -4    0    5    0.1198   -0.5974    0.1201   -0.5972    0.0004    1
    8   -1    1    2    0.1454   -0.2223    0.1441   -0.2219    0.0014    1
    9    0   -2   -1   -0.1926    0.0486   -0.1940    0.0483    0.0015    1
   10   -1    3    2    0.2270   -0.1274    0.2267   -0.1283    0.0010    1
   11   -1    1    1    0.5349   -0.6138    0.5314   -0.6143    0.0035    1
   12   -1   -7    0   -0.1621   -0.0589   -0.1815   -0.0378    0.0287    0
   13   -1    7    2    0.2108   -0.0262    0.1981   -0.0091    0.0212    0
   14   -1    3    1    0.5293   -0.1487    0.5323   -0.1459    0.0041    1
   15   -2   -6    1   -0.3363   -0.2362   -0.3358   -0.2354    0.0010    1
   16    0    2    0    0.1247    0.0356    0.1256    0.0356    0.0009    1
   17   -2    6    1    0.7278   -0.0802    0.7260   -0.0804    0.0018    1
   18   -3    5    2    0.8598   -0.4314    1.0655   -0.4953    0.2154    0
   19    1    7   -2    0.0225    0.0178    0.0407    0.0272    0.0205    0
   20   -1    7    0    0.4473    0.0905    0.4436    0.1639    0.0735    0
   21   -1   -3    2   -0.0354   -0.0604   -0.0357   -0.0605    0.0003    1
   22    0    2   -1    0.2953    0.3307    0.2970    0.3320    0.0022    1
   23    1    3   -5    0.0343    0.2672    0.0342    0.2676    0.0005    1

###            No.546                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7279    1.4164    0.9987   90.2468  125.0869   89.9010      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.7169    1.4203    1.0080   90.0000  125.5434   90.0000      0.0000         1.7032    1.4090
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0181    0.0363    0.0188    0.0000    0.8463    0.0000      0.0000         0.0306    0.0306
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3865   -0.2263    0.5474)
 a2 = (   -0.5673   -0.0443   -0.4180)
 a3 = (   -0.1496   -1.1720    0.3188)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3922   -0.2283    0.5536) (    0.0058    0.0098    0.0044)
 a2 = (   -0.5648   -0.0436   -0.4181) (    0.0171    0.0064    0.0075)
 a3 = (   -0.1530   -1.1643    0.3280) (    0.0130    0.0234    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  127.5201  102.8204   14.0832    0.5004    0.7824    0.5153
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0038   -0.0008    0.0068      0.0031    0.0027    0.0128

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.2315         3.1741
# Chi-squares at the beginning and the end of the refinement
    0.2146    0.1173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7324   -0.0571   -0.7289   -0.0565    0.0035    1
    2    3   -1   -4   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3   -3   -1    5   -0.0132    0.0694   -0.0241    0.0824    0.0169    1
    4    1   -1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    0   -2    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6   -1   -1    1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    7   -1   -5    0.1792   -0.5571    0.1201   -0.5972    0.0714    0
    8    5    1   -4    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9   -4   -6    2   -0.1932    0.0488   -0.1940    0.0483    0.0009    1
   10    4    2   -2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11    2    0   -1    0.5338   -0.6161    0.5314   -0.6143    0.0030    1
   12   -2   -4    0   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13    6    4   -2    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14    3    1   -1    0.5311   -0.1512    0.5323   -0.1459    0.0054    1
   15    0   -6   -2   -0.3375   -0.2378   -0.3358   -0.2354    0.0030    1
   16    1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    5    1   -1    0.8511    0.0013    0.7260   -0.0804    0.1494    0
   18    6    0   -2    1.0582   -0.5168    1.0655   -0.4953    0.0227    1
   19    1    3    3    0.0295    0.0451    0.0407    0.0272    0.0211    0
   20    4    2    0    0.4440    0.1646    0.4436    0.1639    0.0008    1
   21    0   -2   -2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    4    2    2    0.2964    0.3320    0.2970    0.3320    0.0006    1
   23    0    0    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -2    0   -0.7348   -0.0572   -0.7289   -0.0565    0.0059    1
    2    3   -1   -4   -0.0038   -0.1905   -0.0133   -0.1793    0.0146    1
    3   -3   -1    5   -0.0182    0.0739   -0.0241    0.0824    0.0104    1
    4    1   -1   -1   -0.1992   -0.5886   -0.1976   -0.5890    0.0016    1
    5    2    0   -2    0.0536   -0.2255    0.0566   -0.2258    0.0030    1
    6   -1   -1    1   -0.1104    0.1174   -0.1046    0.1173    0.0058    1
    7    7   -1   -5    0.1808   -0.5572    0.1201   -0.5972    0.0727    0
    8    5    1   -4    0.1217   -0.2285    0.1441   -0.2219    0.0234    0
    9   -4   -6    2   -0.1950    0.0466   -0.1940    0.0483    0.0020    1
   10    4    2   -2    0.2253   -0.1280    0.2267   -0.1283    0.0014    1
   11    2    0   -1    0.5394   -0.6096    0.5314   -0.6143    0.0092    1
   12   -2   -4    0   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13    6    4   -2    0.2178   -0.0412    0.1981   -0.0091    0.0377    0
   14    3    1   -1    0.5280   -0.1467    0.5323   -0.1459    0.0044    1
   15    0   -6   -2   -0.3378   -0.2349   -0.3358   -0.2354    0.0021    1
   16    1    1    0    0.1263    0.0361    0.1256    0.0356    0.0008    1
   17    5    1   -1    0.8424    0.0066    0.7260   -0.0804    0.1452    0
   18    6    0   -2    1.0567   -0.4975    1.0655   -0.4953    0.0091    1
   19    1    3    3    0.0297    0.0500    0.0407    0.0272    0.0253    0
   20    4    2    0    0.4421    0.1645    0.4436    0.1639    0.0016    1
   21    0   -2   -2   -0.0364   -0.0556   -0.0357   -0.0605    0.0050    1
   22    4    2    2    0.2980    0.3336    0.2970    0.3320    0.0019    1
   23    0    0    1    0.0323    0.2742    0.0342    0.2676    0.0069    1

###            No.547                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0978    1.7754    1.0890   90.0215  109.5537   90.0721      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0922    1.7807    1.0905   90.0000  109.4393   90.0000      0.0000         1.0016    1.6330
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0073    0.0381    0.0163    0.0000    1.0861    0.0000      0.0000         0.0142    0.0364
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6333    0.7142   -0.1525)
 a2 = (   -0.3094   -0.1804    0.4347)
 a3 = (    0.2633    0.7848    0.5143)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6390    0.7151   -0.1514) (    0.0089    0.0083    0.0056)
 a2 = (   -0.3061   -0.1816    0.4344) (    0.0105    0.0046    0.0074)
 a3 = (    0.2632    0.7832    0.5129) (    0.0113    0.0122    0.0081)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -11.3953   52.0967  138.8410    0.4139    0.5535    0.7377
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0040      0.0024    0.0022    0.0137

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9552         3.1275
# Chi-squares at the beginning and the end of the refinement
    0.0344    0.0110
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    2   -0.7390   -0.0582   -0.7289   -0.0565    0.0102    1
    2    1   -1    2   -0.0146   -0.1779   -0.0133   -0.1793    0.0020    1
    3   -4    2   -2   -0.0252    0.0869   -0.0241    0.0824    0.0046    1
    4    0    0    1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    2    0    2    0.0562   -0.2275    0.0566   -0.2258    0.0017    1
    6   -2    0    0   -0.1060    0.1195   -0.1046    0.1173    0.0026    1
    7    1    1    2    0.1186   -0.5997    0.1201   -0.5972    0.0029    1
    8    4    2    2    0.1444   -0.2236    0.1441   -0.2219    0.0016    1
    9   -4   -2    2   -0.1966    0.0495   -0.1940    0.0483    0.0028    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    4    2    0.5356   -0.6164    0.5314   -0.6143    0.0047    1
   12   -1   -1    1   -0.1844   -0.0384   -0.1815   -0.0378    0.0029    1
   13    4    6   -2    0.1969   -0.0082    0.1981   -0.0091    0.0015    1
   14    2    4    0    0.5303   -0.1496    0.5323   -0.1459    0.0042    1
   15   -1   -1    2   -0.3393   -0.2392   -0.3358   -0.2354    0.0051    1
   16    2    4   -2    0.1237    0.0352    0.1256    0.0356    0.0019    1
   17    1    3    0    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18    1    3    1    0.8310   -0.6130    1.0655   -0.4953    0.2624    0
   19    1    3   -2    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    1    7   -2    0.3983    0.2537    0.4436    0.1639    0.1006    0
   21    0   -2    2   -0.0362   -0.0609   -0.0357   -0.0605    0.0006    1
   22    0    6   -2    0.2961    0.3296    0.2970    0.3320    0.0026    1
   23   -2    4   -2    0.0359    0.2682    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    2   -0.7287   -0.0554   -0.7289   -0.0565    0.0012    1
    2    1   -1    2   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -4    2   -2   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4    0    0    1   -0.1965   -0.5864   -0.1976   -0.5890    0.0028    1
    5    2    0    2    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    0   -0.1043    0.1168   -0.1046    0.1173    0.0006    1
    7    1    1    2    0.1195   -0.5974    0.1201   -0.5972    0.0007    1
    8    4    2    2    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9   -4   -2    2   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10    1    1    0    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    4    2    0.5350   -0.6145    0.5314   -0.6143    0.0036    1
   12   -1   -1    1   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13    4    6   -2    0.1975   -0.0086    0.1981   -0.0091    0.0008    1
   14    2    4    0    0.5296   -0.1492    0.5323   -0.1459    0.0042    1
   15   -1   -1    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    2    4   -2    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17    1    3    0    0.7283   -0.0800    0.7260   -0.0804    0.0023    1
   18    1    3    1    0.8308   -0.6122    1.0655   -0.4953    0.2622    0
   19    1    3   -2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    5   -1    0.5321    0.2129    0.4436    0.1639    0.1012    0
   21    0   -2    2   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    0    6   -2    0.2948    0.3304    0.2970    0.3320    0.0027    1
   23   -2    4   -2    0.0344    0.2667    0.0342    0.2676    0.0010    1

###            No.548                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3619    2.2635    0.6877   90.3183  109.3097   91.4695      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3761    2.2436    0.6870   90.0000  109.4393   90.0000      0.0000         2.0032    3.2660
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0092    0.0480    0.0102    0.0000    1.0861    0.0000      0.0000         0.0283    0.0728
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5119   -0.5738    0.1208)
 a2 = (   -0.2324   -0.1524    0.3437)
 a3 = (   -0.4249   -1.2411   -0.8084)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5072   -0.5676    0.1201) (    0.0071    0.0066    0.0044)
 a2 = (   -0.2430   -0.1441    0.3448) (    0.0083    0.0036    0.0058)
 a3 = (   -0.4178   -1.2432   -0.8142) (    0.0180    0.0194    0.0129)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   11.3953  127.9033  -41.1590    0.4139    0.5535    0.7377
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0040      0.0024    0.0022    0.0137

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.6014         3.1244
# Chi-squares at the beginning and the end of the refinement
    0.0983    0.0110
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7218   -0.0466   -0.7289   -0.0565    0.0122    1
    2   -1   -1   -1   -0.0129   -0.1738   -0.0133   -0.1793    0.0055    1
    3    4    2    1   -0.0261    0.0865   -0.0241    0.0824    0.0045    1
    4    0    0   -1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5   -2    0   -1    0.0560   -0.2232    0.0566   -0.2258    0.0026    1
    6    2    0    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    1   -1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8   -4    2   -1    0.1428   -0.2210    0.1441   -0.2219    0.0016    1
    9    4   -2   -1   -0.1932    0.0493   -0.1940    0.0483    0.0013    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    4   -1    0.5394   -0.6278    0.5314   -0.6143    0.0157    1
   12    2   -2   -1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13   -4    6    1    0.1989   -0.0072    0.1981   -0.0091    0.0021    1
   14   -2    4    0    0.5391   -0.1484    0.5323   -0.1459    0.0072    1
   15    1   -1   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -2    4    1    0.1255    0.0371    0.1256    0.0356    0.0015    1
   17   -1    3    0    0.7458   -0.0719    0.7260   -0.0804    0.0215    1
   18   -2    6   -1    0.8525   -0.6304    1.0655   -0.4953    0.2523    0
   19   -1    3    1    0.0423    0.0291    0.0407    0.0272    0.0024    1
   20   -1    7    1    0.3951    0.2672    0.4436    0.1639    0.1142    0
   21    0   -2   -1   -0.0339   -0.0588   -0.0357   -0.0605    0.0025    1
   22    0    6    1    0.2866    0.3396    0.2970    0.3320    0.0128    1
   23    2    4    1    0.0294    0.2662    0.0342    0.2676    0.0050    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7287   -0.0554   -0.7289   -0.0565    0.0012    1
    2   -1   -1   -1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3    4    2    1   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4    0    0   -1   -0.1965   -0.5864   -0.1976   -0.5890    0.0028    1
    5   -2    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6    2    0    0   -0.1043    0.1168   -0.1046    0.1173    0.0006    1
    7   -1    1   -1    0.1195   -0.5974    0.1201   -0.5972    0.0007    1
    8   -4    2   -1    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9    4   -2   -1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10   -1    1    0    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    4   -1    0.5350   -0.6145    0.5314   -0.6143    0.0036    1
   12    2   -2   -1   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13   -4    6    1    0.1975   -0.0086    0.1981   -0.0091    0.0008    1
   14   -2    4    0    0.5296   -0.1492    0.5323   -0.1459    0.0042    1
   15    1   -1   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -2    4    1    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17   -1    3    0    0.7283   -0.0800    0.7260   -0.0804    0.0023    1
   18   -2    6   -1    0.8308   -0.6122    1.0655   -0.4953    0.2622    0
   19   -1    3    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -1    7    1    0.3979    0.2546    0.4436    0.1639    0.1016    0
   21    0   -2   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    0    6    1    0.2948    0.3304    0.2970    0.3320    0.0027    1
   23    2    4    1    0.0344    0.2667    0.0342    0.2676    0.0010    1

###            No.549                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3683    2.2715    0.6802   90.2879  108.8984   90.2194      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3761    2.2436    0.6870   90.0000  109.4393   90.0000      0.0000         2.0032    3.2660
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0092    0.0480    0.0102    0.0000    1.0861    0.0000      0.0000         0.0283    0.0728
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5139    0.5643   -0.1193)
 a2 = (   -0.2368   -0.1394    0.3440)
 a3 = (    0.4286    1.2516    0.8153)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5072    0.5676   -0.1201) (    0.0071    0.0066    0.0044)
 a2 = (   -0.2430   -0.1441    0.3448) (    0.0083    0.0036    0.0058)
 a3 = (    0.4178    1.2432    0.8142) (    0.0180    0.0194    0.0129)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -11.3953   52.0967  138.8410    0.4139    0.5535    0.7377
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0040      0.0024    0.0022    0.0137

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.7538         3.1244
# Chi-squares at the beginning and the end of the refinement
    0.1093    0.0110
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7185   -0.0607   -0.7289   -0.0565    0.0112    1
    2    1   -1    1   -0.0139   -0.1789   -0.0133   -0.1793    0.0007    1
    3   -4    2   -1   -0.0257    0.0846   -0.0241    0.0824    0.0027    1
    4    0    0    1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    2    0    1    0.0573   -0.2278    0.0566   -0.2258    0.0022    1
    6   -2    0    0   -0.1052    0.1156   -0.1046    0.1173    0.0018    1
    7    1    1    1    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    4    2    1    0.1452   -0.2232    0.1441   -0.2219    0.0017    1
    9   -4   -2    1   -0.1927    0.0474   -0.1940    0.0483    0.0016    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    4    1    0.5285   -0.6230    0.5314   -0.6143    0.0092    1
   12   -2   -2    1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    4    6   -1    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14    2    4    0    0.5315   -0.1537    0.5323   -0.1459    0.0078    1
   15   -1   -1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2    4   -1    0.1241    0.0351    0.1256    0.0356    0.0016    1
   17    1    3    0    0.7351   -0.0878    0.7260   -0.0804    0.0117    1
   18    2    6    1    0.8252   -0.6308    1.0655   -0.4953    0.2759    0
   19    1    3   -1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    1    7   -1    0.4022    0.2573    0.4436    0.1639    0.1022    0
   21    0   -2    1   -0.0364   -0.0617   -0.0357   -0.0605    0.0014    1
   22    0    6   -1    0.2968    0.3352    0.2970    0.3320    0.0032    1
   23   -2    4   -1    0.0318    0.2683    0.0342    0.2676    0.0025    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7287   -0.0554   -0.7289   -0.0565    0.0012    1
    2    1   -1    1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -4    2   -1   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4    0    0    1   -0.1965   -0.5864   -0.1976   -0.5890    0.0028    1
    5    2    0    1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2    0    0   -0.1043    0.1168   -0.1046    0.1173    0.0006    1
    7    1    1    1    0.1195   -0.5974    0.1201   -0.5972    0.0007    1
    8    4    2    1    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9   -4   -2    1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10    1    1    0    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    4    1    0.5350   -0.6145    0.5314   -0.6143    0.0036    1
   12   -2   -2    1   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13    4    6   -1    0.1975   -0.0086    0.1981   -0.0091    0.0008    1
   14    2    4    0    0.5296   -0.1492    0.5323   -0.1459    0.0042    1
   15   -1   -1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    2    4   -1    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17    1    3    0    0.7283   -0.0800    0.7260   -0.0804    0.0023    1
   18    2    6    1    0.8308   -0.6122    1.0655   -0.4953    0.2622    0
   19    1    3   -1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    7   -1    0.3979    0.2546    0.4436    0.1639    0.1016    0
   21    0   -2    1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    0    6   -1    0.2948    0.3304    0.2970    0.3320    0.0027    1
   23   -2    4   -1    0.0344    0.2667    0.0342    0.2676    0.0010    1

###            No.553                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0891    1.7841    1.0947   90.2118  109.8952   89.5795      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0919    1.7805    1.0922   90.0000  109.6160   90.0000      0.0000         0.9997    1.6302
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0068    0.0340    0.0192    0.0000    0.9968    0.0000      0.0000         0.0184    0.0330
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5960   -0.6671    0.3916)
 a2 = (   -0.0226    0.3023    0.4715)
 a3 = (   -0.9244    0.2302   -0.1905)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5914   -0.6631    0.3949) (    0.0089    0.0075    0.0051)
 a2 = (   -0.0217    0.3013    0.4735) (    0.0028    0.0084    0.0079)
 a3 = (   -0.9244    0.2326   -0.1903) (    0.0182    0.0091    0.0050)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   25.7247  110.6482 -122.0875    0.3572    0.5079    0.5978
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0021    0.0024    0.0164

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.8905         3.1085
# Chi-squares at the beginning and the end of the refinement
    0.0723    0.0110
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2   -2   -0.7294   -0.0583   -0.7289   -0.0565    0.0019    1
    2   -4    6    2   -0.0143   -0.1772   -0.0133   -0.1793    0.0024    1
    3    1   -1   -1   -0.0249    0.0850   -0.0241    0.0824    0.0026    1
    4   -1    3    0   -0.1960   -0.5841   -0.1976   -0.5890    0.0052    1
    5   -2    4    2    0.0563   -0.2263    0.0566   -0.2258    0.0005    1
    6    1   -1   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    5    1    0.1307   -0.7130    0.1201   -0.5972    0.1164    0
    8   -1    3    2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    0    0   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0    2    2    0.2254   -0.1267    0.2267   -0.1283    0.0020    1
   11    0    6    2    0.5332   -0.6110    0.5314   -0.6143    0.0037    1
   12   -1    1   -2   -0.1822   -0.0383   -0.1815   -0.0378    0.0008    1
   13    1    1    2    0.1951   -0.0076    0.1981   -0.0091    0.0034    1
   14    1    3    2    0.5263   -0.1467    0.5323   -0.1459    0.0061    1
   15   -2    4   -2   -0.3356   -0.2369   -0.3358   -0.2354    0.0015    1
   16    2    0    2    0.1222    0.0351    0.1256    0.0356    0.0034    1
   17    2    4    2    0.7224   -0.0774    0.7260   -0.0804    0.0047    1
   18    1    3    1    0.9352   -0.2768    1.0655   -0.4953    0.2544    0
   19    4   -2    2    0.0399    0.0268    0.0407    0.0272    0.0009    1
   20    4    2    2    0.4362    0.1635    0.4436    0.1639    0.0073    1
   21   -1    1    0   -0.0361   -0.0610   -0.0357   -0.0605    0.0007    1
   22    2    0    0    0.2917    0.3264    0.2970    0.3320    0.0077    1
   23    4   -2   -2    0.0347    0.2645    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    2   -2   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -4    6    2   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1   -1   -1   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4   -1    3    0   -0.1966   -0.5866   -0.1976   -0.5890    0.0026    1
    5   -2    4    2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -1   -2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1    5    1    0.1319   -0.7158    0.1201   -0.5972    0.1193    0
    8   -1    3    2    0.1450   -0.2226    0.1441   -0.2219    0.0011    1
    9    0    0   -1   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    0    2    2    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    0    6    2    0.5348   -0.6142    0.5314   -0.6143    0.0034    1
   12   -1    1   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    1    2    0.1976   -0.0086    0.1981   -0.0091    0.0007    1
   14    1    3    2    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -2    4   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    2    0    2    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    2    4    2    0.7280   -0.0806    0.7260   -0.0804    0.0020    1
   18    1    3    1    0.9410   -0.2820    1.0655   -0.4953    0.2469    0
   19    4   -2    2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    4    2    2    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21   -1    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    2    0    0    0.2954    0.3304    0.2970    0.3320    0.0022    1
   23    4   -2   -2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.554                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.7611    0.8643    1.5415   90.4784  121.4525   91.6294      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.8132    0.8570    1.5755   90.0000  125.2157   90.0000      0.0000         1.1509    0.5439
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0249    0.0174    0.0289    0.0000    1.1128    0.0000      0.0000         0.0158    0.0115
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4057   -0.4535    0.2710)
 a2 = (    0.0076   -0.6463   -0.9608)
 a3 = (    0.2724   -0.5997    0.3806)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4101   -0.4602    0.2752) (    0.0071    0.0060    0.0036)
 a2 = (    0.0436   -0.6268   -0.9833) (    0.0066    0.0187    0.0173)
 a3 = (    0.2315   -0.6207    0.4059) (    0.0126    0.0100    0.0050)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  154.1829   69.4016   57.9551    0.3662    0.5631    0.6741
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0003    0.0014      0.0021    0.0036    0.0158

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         1.7398         3.0754
# Chi-squares at the beginning and the end of the refinement
    1.5613    0.0825
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -6   -2    7   -0.6830    0.0290   -0.7289   -0.0565    0.0971    0
    2   -1   -1   -1   -0.0134   -0.1809   -0.0133   -0.1793    0.0016    1
    3    0    2    6   -0.0224    0.0665   -0.0241    0.0824    0.0160    1
    4   -1   -1    0   -0.2007   -0.5544   -0.1976   -0.5890    0.0347    0
    5    0   -2   -3    0.0633   -0.2351    0.0566   -0.2258    0.0115    1
    6   -3    1    6   -0.0884    0.0892   -0.1046    0.1173    0.0324    0
    7    0   -4   -3    0.1148   -0.5939    0.1201   -0.5972    0.0062    1
    8    1   -1   -2    0.1578   -0.2294    0.1441   -0.2219    0.0156    1
    9   -6    0    7   -0.2144    0.0729   -0.1940    0.0483    0.0319    0
   10    3   -1   -3    0.2414   -0.1283    0.2267   -0.1283    0.0147    1
   11    1   -1   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -7   -1    5   -0.2219   -0.0435   -0.1815   -0.0378    0.0408    0
   13    7   -1   -5    0.2241   -0.0250    0.1981   -0.0091    0.0304    0
   14    3   -1   -2    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -6   -2    3   -0.3024   -0.2070   -0.3358   -0.2354    0.0438    0
   16    2    0   -1    0.1379    0.0391    0.1256    0.0356    0.0128    1
   17    6   -2   -3    0.7272   -0.0825    0.7260   -0.0804    0.0025    1
   18    5   -3   -3    0.8547   -0.4381    1.0655   -0.4953    0.2184    0
   19    7    1   -2    0.0324    0.0251    0.0407    0.0272    0.0086    1
   20    7   -1   -3    0.4505    0.0897    0.4436    0.1639    0.0745    0
   21   -3   -1    0   -0.0325   -0.0540   -0.0357   -0.0605    0.0073    1
   22    2    0    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    3    1    3    0.0266    0.2585    0.0342    0.2676    0.0118    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -3   -1    3   -0.7254   -0.0558   -0.7289   -0.0565    0.0036    1
    2   -1   -1   -1   -0.0134   -0.1753   -0.0133   -0.1793    0.0040    1
    3    0    2    6   -0.0251    0.0868   -0.0241    0.0824    0.0045    1
    4   -1   -1    0   -0.1964   -0.5838   -0.1976   -0.5890    0.0053    1
    5    0   -2   -3    0.0571   -0.2255    0.0566   -0.2258    0.0007    1
    6   -3    1    6   -0.1042    0.1171   -0.1046    0.1173    0.0004    1
    7    0   -4   -3    0.1192   -0.5967    0.1201   -0.5972    0.0010    1
    8    1   -1   -2    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9   -2    0    2   -0.1910    0.0482   -0.1940    0.0483    0.0030    1
   10    3   -1   -3    0.2282   -0.1279    0.2267   -0.1283    0.0016    1
   11    1   -1   -1    0.5360   -0.6150    0.5314   -0.6143    0.0047    1
   12   -7   -1    4   -0.1594   -0.0579   -0.1815   -0.0378    0.0299    0
   13    7   -1   -5    0.2130   -0.0262    0.1981   -0.0091    0.0227    0
   14    3   -1   -2    0.5319   -0.1489    0.5323   -0.1459    0.0029    1
   15   -6   -2    3   -0.3339   -0.2344   -0.3358   -0.2354    0.0021    1
   16    2    0   -1    0.1274    0.0365    0.1256    0.0356    0.0020    1
   17    6   -2   -3    0.7310   -0.0795    0.7260   -0.0804    0.0050    1
   18    5   -3   -3    0.8631   -0.4321    1.0655   -0.4953    0.2120    0
   19    7    1   -2    0.0250    0.0197    0.0407    0.0272    0.0175    1
   20    7   -1   -3    0.4502    0.0916    0.4436    0.1639    0.0726    0
   21   -3   -1    0   -0.0339   -0.0578   -0.0357   -0.0605    0.0033    1
   22    2    0    0    0.2971    0.3332    0.2970    0.3320    0.0011    1
   23    3    1    3    0.0348    0.2695    0.0342    0.2676    0.0020    1

###            No.556                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3748    2.2366    0.6928   91.0180  110.1165   89.6352      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3739    2.2436    0.6881   90.0000  109.4393   90.0000      0.0000         1.9968    3.2607
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0092    0.0442    0.0112    0.0000    1.0861    0.0000      0.0000         0.0282    0.0790
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2030   -0.6280   -0.4056)
 a2 = (    0.2501    0.1408   -0.3429)
 a3 = (    1.0110   -1.1333    0.2390)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2089   -0.6216   -0.4071) (    0.0083    0.0038    0.0039)
 a2 = (    0.2430    0.1441   -0.3448) (    0.0078    0.0040    0.0052)
 a3 = (    1.0144   -1.1352    0.2403) (    0.0231    0.0176    0.0092)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -145.7109   69.4230   57.9456    0.4086    0.6438    0.5447
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0040      0.0024    0.0022    0.0137

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.5440         3.0433
# Chi-squares at the beginning and the end of the refinement
    0.3941    0.0110
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7357   -0.0637   -0.7289   -0.0565    0.0099    1
    2   -4    2   -1   -0.0135   -0.1766   -0.0133   -0.1793    0.0027    1
    3    1   -1    1   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    0    0   -0.1890   -0.5848   -0.1976   -0.5890    0.0096    1
    5   -2    0   -1    0.0570   -0.2250    0.0566   -0.2258    0.0009    1
    6    0    0    1   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7   -4   -2   -1    0.1226   -0.5897    0.1201   -0.5972    0.0079    1
    8   -1   -1   -1    0.1439   -0.2204    0.1441   -0.2219    0.0015    1
    9   -1    1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0   -2   -1    0.2244   -0.1264    0.2267   -0.1283    0.0030    1
   11   -2   -4   -1    0.5278   -0.6003    0.5314   -0.6143    0.0144    1
   12   -2    2    1   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13    1   -3   -1    0.1952   -0.0082    0.1981   -0.0091    0.0031    1
   14    0   -4   -1    0.5211   -0.1477    0.5323   -0.1459    0.0113    1
   15   -4    2    1   -0.3350   -0.2394   -0.3358   -0.2354    0.0040    1
   16    2   -4   -1    0.1230    0.0349    0.1256    0.0356    0.0027    1
   17    0   -6   -1    0.7145   -0.0821    0.7260   -0.0804    0.0117    1
   18   -1   -7   -1    0.9186   -0.2785    1.0655   -0.4953    0.2618    0
   19    4   -6   -1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    1   -5   -1    0.4313    0.0347    0.4436    0.1639    0.1297    0
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3    0    0.2953    0.3252    0.2970    0.3320    0.0070    1
   23    2   -4    1    0.0356    0.2660    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    0    1   -0.7287   -0.0554   -0.7289   -0.0565    0.0012    1
    2   -4    2   -1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3    1   -1    1   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4   -2    0    0   -0.1965   -0.5864   -0.1976   -0.5890    0.0028    1
    5   -2    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6    0    0    1   -0.1043    0.1168   -0.1046    0.1173    0.0006    1
    7   -4   -2   -1    0.1195   -0.5974    0.1201   -0.5972    0.0007    1
    8   -1   -1   -1    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9   -1    1    1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10    0   -2   -1    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2   -4   -1    0.5350   -0.6145    0.5314   -0.6143    0.0036    1
   12   -2    2    1   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13    1   -3   -1    0.1975   -0.0086    0.1981   -0.0091    0.0008    1
   14    0   -4   -1    0.5296   -0.1492    0.5323   -0.1459    0.0042    1
   15   -4    2    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    2   -4   -1    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17    0   -6   -1    0.7283   -0.0800    0.7260   -0.0804    0.0023    1
   18   -1   -7   -1    0.9420   -0.2813    1.0655   -0.4953    0.2470    0
   19    4   -6   -1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1   -5   -1    0.4370    0.0367    0.4436    0.1639    0.1273    0
   21   -1    1    0   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    1   -3    0    0.2948    0.3304    0.2970    0.3320    0.0027    1
   23    2   -4    1    0.0344    0.2667    0.0342    0.2676    0.0010    1

###            No.557                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.3725    2.2376    0.6909   90.0425  109.5064   90.0675      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.3739    2.2436    0.6881   90.0000  109.4393   90.0000      0.0000         1.9968    3.2607
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0092    0.0442    0.0112    0.0000    1.0861    0.0000      0.0000         0.0282    0.0790
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2089    0.6225    0.4079)
 a2 = (    0.2437    0.1453   -0.3453)
 a3 = (   -1.0098    1.1319   -0.2387)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2089    0.6216    0.4071) (    0.0083    0.0038    0.0039)
 a2 = (    0.2430    0.1441   -0.3448) (    0.0078    0.0040    0.0052)
 a3 = (   -1.0144    1.1352   -0.2403) (    0.0231    0.0176    0.0092)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  145.7109  110.5770 -122.0544    0.4086    0.6438    0.5447
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0040      0.0024    0.0022    0.0137

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9090         3.0433
# Chi-squares at the beginning and the end of the refinement
    0.0352    0.0110
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7341   -0.0581   -0.7289   -0.0565    0.0055    1
    2    4    2    1   -0.0143   -0.1784   -0.0133   -0.1793    0.0014    1
    3   -1   -1   -1   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4    2    0    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    2    0    1    0.0569   -0.2286    0.0566   -0.2258    0.0028    1
    6    0    0   -1   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7    4   -2    1    0.1195   -0.6017    0.1201   -0.5972    0.0046    1
    8    1   -1    1    0.1460   -0.2249    0.1441   -0.2219    0.0035    1
    9    1    1   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0   -2    1    0.2294   -0.1289    0.2267   -0.1283    0.0027    1
   11    2   -4    1    0.5402   -0.6191    0.5314   -0.6143    0.0100    1
   12    2    2   -1   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -1   -3    1    0.1993   -0.0075    0.1981   -0.0091    0.0020    1
   14    0   -4    1    0.5345   -0.1483    0.5323   -0.1459    0.0032    1
   15    4    2   -1   -0.3373   -0.2384   -0.3358   -0.2354    0.0033    1
   16   -2   -4    1    0.1255    0.0363    0.1256    0.0356    0.0007    1
   17    0   -6    1    0.7334   -0.0771    0.7260   -0.0804    0.0080    1
   18    1   -7    1    0.9495   -0.2792    1.0655   -0.4953    0.2452    0
   19   -4   -6    1    0.0419    0.0282    0.0407    0.0272    0.0015    1
   20   -1   -5    1    0.4395    0.0392    0.4436    0.1639    0.1248    0
   21    1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3    0    0.2946    0.3317    0.2970    0.3320    0.0024    1
   23   -2   -4   -1    0.0346    0.2673    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    0   -1   -0.7287   -0.0554   -0.7289   -0.0565    0.0012    1
    2    4    2    1   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -1   -1   -1   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4    2    0    0   -0.1965   -0.5864   -0.1976   -0.5890    0.0028    1
    5    2    0    1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6    0    0   -1   -0.1043    0.1168   -0.1046    0.1173    0.0006    1
    7    4   -2    1    0.1195   -0.5974    0.1201   -0.5972    0.0007    1
    8    1   -1    1    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9    1    1   -1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10    0   -2    1    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -4    1    0.5350   -0.6145    0.5314   -0.6143    0.0036    1
   12    2    2   -1   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13   -1   -3    1    0.1975   -0.0086    0.1981   -0.0091    0.0008    1
   14    0   -4    1    0.5296   -0.1492    0.5323   -0.1459    0.0042    1
   15    4    2   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -2   -4    1    0.1248    0.0350    0.1256    0.0356    0.0010    1
   17    0   -6    1    0.7283   -0.0800    0.7260   -0.0804    0.0023    1
   18    1   -7    1    0.9420   -0.2813    1.0655   -0.4953    0.2470    0
   19   -4   -6    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -1   -5    1    0.4370    0.0367    0.4436    0.1639    0.1273    0
   21    1    1    0   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22   -1   -3    0    0.2948    0.3304    0.2970    0.3320    0.0027    1
   23   -2   -4   -1    0.0344    0.2667    0.0342    0.2676    0.0010    1

###            No.562                ###
# Bravais type
   Monoclinic(C)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8753    1.7800    1.3498   89.9190  107.9947   90.4898      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8678    1.7935    1.3441   90.0000  107.0510   90.0000      0.0000         0.6457    1.3343
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0192    0.1704    0.1228    0.0000    4.1223    0.0000      0.0000         0.0456    0.0245
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0960   -0.3075   -1.1573)
 a2 = (   -0.5350   -0.1518    0.0797)
 a3 = (   -0.2379    0.6268   -0.3966)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0655   -0.3192   -1.1604) (    0.0189    0.0307    0.0075)
 a2 = (   -0.5320   -0.1507    0.0715) (    0.0516    0.0133    0.0035)
 a3 = (   -0.2313    0.6282   -0.3968) (    0.0139    0.0644    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -82.4139  103.7711 -162.3674    0.5168    1.7018    0.4079
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0001    0.0002   -0.0322      0.0024    0.0035    0.1036

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.0490         3.0402
# Chi-squares at the beginning and the end of the refinement
    0.5457    0.0788
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3   -1   -0.6747   -0.0473   -0.7289   -0.0565    0.0549    0
    2   -1   -1    2   -0.0149   -0.1647   -0.0133   -0.1793    0.0147    1
    3    2    0   -7   -0.0250    0.0849   -0.0241    0.0824    0.0026    1
    4   -1   -1    1   -0.2007   -0.5544   -0.1976   -0.5890    0.0347    0
    5   -2    0    4    0.0536   -0.2202    0.0566   -0.2258    0.0063    1
    6    1   -3   -5   -0.0977    0.1081   -0.1046    0.1173    0.0115    1
    7   -4    0    5    0.1083   -0.5864    0.1201   -0.5972    0.0160    1
    8   -1    1    2    0.1438   -0.2216    0.1441   -0.2219    0.0004    1
    9    0   -2   -1   -0.1709    0.0422   -0.1940    0.0483    0.0240    0
   10   -1    3    2    0.2319   -0.1292    0.2267   -0.1283    0.0053    1
   11   -1    1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1   -7    0   -0.1384   -0.0494   -0.1815   -0.0378    0.0446    0
   13   -1    7    2    0.2203   -0.0266    0.1981   -0.0091    0.0283    0
   14   -1    3    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -2   -6    1   -0.3111   -0.2116   -0.3358   -0.2354    0.0343    0
   16    0    2    0    0.1379    0.0391    0.1256    0.0356    0.0128    1
   17   -2    6    1    0.7284   -0.0741    0.7260   -0.0804    0.0067    1
   18   -3    5    2    0.8633   -0.4273    1.0655   -0.4953    0.2133    0
   19    1    7   -2    0.0358    0.0279    0.0407    0.0272    0.0050    1
   20   -1    7    0    0.4508    0.0932    0.4436    0.1639    0.0710    0
   21   -1   -3    2   -0.0275   -0.0453   -0.0357   -0.0605    0.0173    1
   22    0    2   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    3   -5    0.0353    0.2686    0.0342    0.2676    0.0014    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -3   -1   -0.7279   -0.0549   -0.7289   -0.0565    0.0019    1
    2   -1   -1    2   -0.0136   -0.1753   -0.0133   -0.1793    0.0040    1
    3    2    0   -7   -0.0254    0.0863   -0.0241    0.0824    0.0041    1
    4   -1   -1    1   -0.1951   -0.5852   -0.1976   -0.5890    0.0045    1
    5   -2    0    4    0.0570   -0.2257    0.0566   -0.2258    0.0005    1
    6    1   -3   -5   -0.1038    0.1164   -0.1046    0.1173    0.0012    1
    7   -4    0    5    0.1208   -0.5962    0.1201   -0.5972    0.0012    1
    8   -1    1    2    0.1453   -0.2226    0.1441   -0.2219    0.0014    1
    9    0   -2   -1   -0.1901    0.0482   -0.1940    0.0483    0.0040    1
   10   -1    3    2    0.2285   -0.1286    0.2267   -0.1283    0.0018    1
   11   -1    1    1    0.5363   -0.6120    0.5314   -0.6143    0.0054    1
   12   -1   -7    0   -0.1588   -0.0574   -0.1815   -0.0378    0.0301    0
   13   -1    7    2    0.2139   -0.0268    0.1981   -0.0091    0.0237    0
   14   -1    3    1    0.5311   -0.1491    0.5323   -0.1459    0.0034    1
   15   -2   -6    1   -0.3342   -0.2345   -0.3358   -0.2354    0.0018    1
   16    0    2    0    0.1285    0.0366    0.1256    0.0356    0.0030    1
   17   -2    6    1    0.7289   -0.0800    0.7260   -0.0804    0.0029    1
   18   -3    5    2    0.8600   -0.4290    1.0655   -0.4953    0.2160    0
   19    1    7   -2    0.0256    0.0204    0.0407    0.0272    0.0166    1
   20   -1    7    0    0.4504    0.0908    0.4436    0.1639    0.0734    0
   21   -1   -3    2   -0.0339   -0.0572   -0.0357   -0.0605    0.0037    1
   22    0    2   -1    0.2979    0.3327    0.2970    0.3320    0.0012    1
   23    1    3   -5    0.0349    0.2696    0.0342    0.2676    0.0020    1

###                                ###
### Candidates for   Monoclinic(P) ###
###                                ###

###            No.1                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8569    1.4260    0.8687   89.9865  109.5039   91.8322      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8668    1.4134    0.8655   90.0000  109.4371   90.0000      0.0000         1.0015    1.6330
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0058    0.0300    0.0129    0.0000    1.0821    0.0000      0.0000         0.0141    0.0363
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8147   -0.9132    0.1923)
 a2 = (   -0.3668   -0.2444    0.5460)
 a3 = (   -0.3300   -0.9835   -0.6444)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8052   -0.9011    0.1908) (    0.0112    0.0104    0.0069)
 a2 = (   -0.3856   -0.2287    0.5473) (    0.0131    0.0057    0.0092)
 a3 = (   -0.3317   -0.9867   -0.6461) (    0.0142    0.0153    0.0100)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   11.3968  127.8985  -41.1596    0.4057    0.5479    0.7375
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0004    0.0038      0.0023    0.0022    0.0131

# Number of computed bands
            400            113
# Figure of merit at the beginning and the end of the refinement
         3.3299        44.6191
# Chi-squares at the beginning and the end of the refinement
    0.1070    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7283   -0.0447   -0.7289   -0.0565    0.0118    1
    2   -1   -1   -2   -0.0119   -0.1754   -0.0133   -0.1793    0.0042    1
    3    2    1    1   -0.0262    0.0857   -0.0241    0.0824    0.0039    1
    4    0    0   -1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1    0   -1    0.0572   -0.2238    0.0566   -0.2258    0.0021    1
    6    1    0    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    1   -2    0.1186   -0.5997    0.1201   -0.5972    0.0029    1
    8   -2    1   -1    0.1435   -0.2209    0.1441   -0.2219    0.0012    1
    9    2   -1   -1   -0.1948    0.0501   -0.1940    0.0483    0.0020    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    2   -1    0.5427   -0.6272    0.5314   -0.6143    0.0171    1
   12    1   -1   -1   -0.1844   -0.0384   -0.1815   -0.0378    0.0029    1
   13   -2    3    1    0.1988   -0.0071    0.1981   -0.0091    0.0021    1
   14   -1    2    0    0.5405   -0.1482    0.5323   -0.1459    0.0085    1
   15    1   -1   -2   -0.3393   -0.2392   -0.3358   -0.2354    0.0051    1
   16   -1    2    1    0.1248    0.0372    0.1256    0.0356    0.0017    1
   17   -1    3    0    0.7483   -0.0704    0.7260   -0.0804    0.0244    1
   18   -2    6   -1    0.8805   -0.3380    1.0655   -0.4953    0.2428    0
   19   -1    3    2    0.0411    0.0285    0.0407    0.0272    0.0013    1
   20   -1    4    1    0.4443    0.1783    0.4436    0.1639    0.0144    1
   21    0   -1   -1   -0.0344   -0.0606   -0.0357   -0.0605    0.0013    1
   22    0    3    1    0.2846    0.3416    0.2970    0.3320    0.0156    1
   23    1    2    1    0.0277    0.2654    0.0342    0.2676    0.0069    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7287   -0.0553   -0.7289   -0.0565    0.0012    1
    2   -1   -1   -2   -0.0134   -0.1772   -0.0133   -0.1793    0.0021    1
    3    2    1    1   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4    0    0   -1   -0.1966   -0.5865   -0.1976   -0.5890    0.0027    1
    5   -1    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    0    0   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7   -1    1   -2    0.1195   -0.5975    0.1201   -0.5972    0.0007    1
    8   -2    1   -1    0.1448   -0.2225    0.1441   -0.2219    0.0009    1
    9    2   -1   -1   -0.1928    0.0483   -0.1940    0.0483    0.0012    1
   10   -1    1    0    0.2266   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    2   -1    0.5350   -0.6147    0.5314   -0.6143    0.0036    1
   12    1   -1   -1   -0.1813   -0.0379   -0.1815   -0.0378    0.0003    1
   13   -2    3    1    0.1976   -0.0086    0.1981   -0.0091    0.0007    1
   14   -1    2    0    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15    1   -1   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    2    1    0.1249    0.0350    0.1256    0.0356    0.0009    1
   17   -1    3    0    0.7285   -0.0801    0.7260   -0.0804    0.0025    1
   18   -1    4   -1    1.0604   -0.5119    1.0655   -0.4953    0.0174    1
   19   -1    3    2    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20   -1    4    1    0.4417    0.1643    0.4436    0.1639    0.0019    1
   21    0   -1   -1   -0.0350   -0.0605   -0.0357   -0.0605    0.0007    1
   22    0    3    1    0.2949    0.3305    0.2970    0.3320    0.0025    1
   23    1    2    1    0.0344    0.2668    0.0342    0.2676    0.0009    1

###            No.2                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8757    1.3902    0.8758   89.8347  110.2765   91.0294      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8681    1.4084    0.8677   90.0000  109.5063   90.0000      0.0000         1.0005    1.6232
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0055    0.0263    0.0126    0.0000    1.0304    0.0000      0.0000         0.0140    0.0291
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8008    0.8977   -0.1882)
 a2 = (   -0.4058   -0.2295    0.5479)
 a3 = (    0.3093    0.9837    0.6469)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8035    0.9008   -0.1907) (    0.0106    0.0099    0.0069)
 a2 = (   -0.3881   -0.2301    0.5483) (    0.0113    0.0047    0.0086)
 a3 = (    0.3293    0.9844    0.6462) (    0.0132    0.0150    0.0099)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -11.4237   51.9780  138.8281    0.4025    0.4640    0.7213
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            123            115
# Figure of merit at the beginning and the end of the refinement
        13.1329        44.4206
# Chi-squares at the beginning and the end of the refinement
    0.2606    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    1   -1    2   -0.0130   -0.1793   -0.0133   -0.1793    0.0003    1
    3   -2    1   -1   -0.0250    0.0848   -0.0241    0.0824    0.0026    1
    4    0    0    1   -0.1881   -0.5984   -0.1976   -0.5890    0.0134    1
    5    1    0    1    0.0596   -0.2282    0.0566   -0.2258    0.0039    1
    6   -1    0    0   -0.1041    0.1167   -0.1046    0.1173    0.0007    1
    7    1    1    2    0.1333   -0.5976    0.1201   -0.5972    0.0132    1
    8    2    1    1    0.1481   -0.2224    0.1441   -0.2219    0.0040    1
    9   -2   -1    1   -0.1930    0.0485   -0.1940    0.0483    0.0011    1
   10    1    1    0    0.2282   -0.1263    0.2267   -0.1283    0.0025    1
   11    1    2    1    0.5444   -0.5942    0.5314   -0.6143    0.0239    1
   12   -1   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    2    3   -1    0.1980   -0.0078    0.1981   -0.0091    0.0013    1
   14    1    2    0    0.5241   -0.1426    0.5323   -0.1459    0.0089    1
   15   -1   -1    2   -0.3396   -0.2418   -0.3358   -0.2354    0.0074    1
   16    1    2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3    0    0.7135   -0.0739    0.7260   -0.0804    0.0140    1
   18    1    4    1    1.0379   -0.4728    1.0655   -0.4953    0.0356    1
   19    1    3   -2    0.0425    0.0283    0.0407    0.0272    0.0020    1
   20    1    4   -1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    3   -1    0.2968    0.3251    0.2970    0.3320    0.0069    1
   23   -1    2   -1    0.0366    0.2672    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    1   -1    2   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -2    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    0    0    1   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    1    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    0    0   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    1    1    2    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8    2    1    1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -2   -1    1   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    2    1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12   -1   -1    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    2    3   -1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2    0    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    2   -1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    1    3    0    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    1    4    1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19    1    3   -2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    4   -1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    0   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    0    3   -1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23   -1    2   -1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.3                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8672    1.4074    0.8713   90.5374  109.8754   89.9856      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8677    1.4084    0.8681   90.0000  109.5063   90.0000      0.0000         0.9995    1.6223
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0055    0.0222    0.0140    0.0000    1.0304    0.0000      0.0000         0.0139    0.0343
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3241   -0.9901   -0.6465)
 a2 = (    0.3927    0.2261   -0.5473)
 a3 = (    0.8027   -0.8999    0.1886)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3293   -0.9844   -0.6462) (    0.0120    0.0058    0.0053)
 a2 = (    0.3881    0.2301   -0.5483) (    0.0099    0.0051    0.0071)
 a3 = (    0.8035   -0.9008    0.1907) (    0.0179    0.0133    0.0071)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -145.6103   69.3444   57.9316    0.3319    0.5861    0.5221
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            117            117
# Figure of merit at the beginning and the end of the refinement
        32.6628        44.0393
# Chi-squares at the beginning and the end of the refinement
    0.1031    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7364   -0.0590   -0.7289   -0.0565    0.0079    1
    2   -2    1   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1   -1    2   -0.0250    0.0848   -0.0241    0.0824    0.0026    1
    4   -1    0    0   -0.1931   -0.5898   -0.1976   -0.5890    0.0046    1
    5   -1    0   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    0    0    1   -0.1041    0.1167   -0.1046    0.1173    0.0007    1
    7   -2   -1   -1    0.1231   -0.5970    0.1201   -0.5972    0.0030    1
    8   -1   -1   -2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    1    2   -0.1930    0.0485   -0.1940    0.0483    0.0011    1
   10    0   -1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1   -2   -1    0.5355   -0.6090    0.5314   -0.6143    0.0066    1
   12   -1    1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1   -3   -2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    0   -2   -1    0.5285   -0.1490    0.5323   -0.1459    0.0049    1
   15   -2    1    1   -0.3374   -0.2391   -0.3358   -0.2354    0.0040    1
   16    1   -2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -3   -1    0.7246   -0.0811    0.7260   -0.0804    0.0016    1
   18   -1   -4   -1    1.0490   -0.5045    1.0655   -0.4953    0.0189    1
   19    2   -3   -1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    1   -4   -1    0.4419    0.1629    0.4436    0.1639    0.0019    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3    0    0.2967    0.3295    0.2970    0.3320    0.0025    1
   23    1   -2    1    0.0350    0.2673    0.0342    0.2676    0.0009    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2   -2    1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -1    2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    0    0   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5   -1    0   -1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    0    0    1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -2   -1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -1   -1   -2    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -1    1    2   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -2   -1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12   -1    1    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3   -2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2    1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -2   -1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    0   -3   -1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18   -1   -4   -1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19    2   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -4   -1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -3    0    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    1   -2    1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.4                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8738    1.3936    0.8779   89.1429  110.6712   90.3431      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8677    1.4084    0.8681   90.0000  109.5063   90.0000      0.0000         0.9995    1.6223
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0055    0.0222    0.0140    0.0000    1.0304    0.0000      0.0000         0.0139    0.0343
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3138    0.9902    0.6460)
 a2 = (    0.4048    0.2290   -0.5466)
 a3 = (   -0.7936    0.9044   -0.1870)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3293    0.9844    0.6462) (    0.0120    0.0058    0.0053)
 a2 = (    0.3881    0.2301   -0.5483) (    0.0099    0.0051    0.0071)
 a3 = (   -0.8035    0.9008   -0.1907) (    0.0179    0.0133    0.0071)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  145.6103  110.6556 -122.0684    0.3319    0.5861    0.5221
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            123            117
# Figure of merit at the beginning and the end of the refinement
        15.2004        44.0393
# Chi-squares at the beginning and the end of the refinement
    0.2946    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    2    1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1   -1   -2   -0.0240    0.0838   -0.0241    0.0824    0.0014    1
    4    1    0    0   -0.1879   -0.5929   -0.1976   -0.5890    0.0105    1
    5    1    0    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    0    0   -1   -0.1025    0.1168   -0.1046    0.1173    0.0022    1
    7    2   -1    1    0.1278   -0.5944    0.1201   -0.5972    0.0081    1
    8    1   -1    2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1    1   -2   -0.1927    0.0493   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1   -2    1    0.5370   -0.5984    0.5314   -0.6143    0.0169    1
   12    1    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1   -3    2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    0   -2    1    0.5245   -0.1461    0.5323   -0.1459    0.0078    1
   15    2    1   -1   -0.3380   -0.2416   -0.3358   -0.2354    0.0066    1
   16   -1   -2    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -3    1    0.7150   -0.0775    0.7260   -0.0804    0.0114    1
   18    1   -4    1    1.0351   -0.4827    1.0655   -0.4953    0.0329    1
   19   -2   -3    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -1   -4    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3    0    0.2950    0.3237    0.2970    0.3320    0.0085    1
   23   -1   -2   -1    0.0371    0.2644    0.0342    0.2676    0.0044    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    2    1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -1   -2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    0    0   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    1    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    0    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    2   -1    1    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8    1   -1    2    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1    1   -2   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -2    1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    1    1   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3    2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -2    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    2    1   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -2    1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    0   -3    1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    1   -4    1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -2   -3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -4    1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -3    0    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23   -1   -2   -1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.5                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8696    1.4016    0.8720   90.8832  109.7768   89.9279      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8668    1.4132    0.8667   90.0000  109.6164   90.0000      0.0000         1.0002    1.6306
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0053    0.0280    0.0176    0.0000    0.9844    0.0000      0.0000         0.0177    0.0334
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1627    0.2895   -0.2396)
 a2 = (    0.0219   -0.3923   -0.5957)
 a3 = (   -0.7423   -0.8299    0.4960)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.1648    0.2930   -0.2398) (    0.0035    0.0113    0.0065)
 a2 = (    0.0273   -0.3796   -0.5965) (    0.0037    0.0098    0.0113)
 a3 = (   -0.7450   -0.8354    0.4975) (    0.0155    0.0201    0.0089)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.9234   59.9349  -20.7587    0.3525    0.4677    0.5739
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0029      0.0021    0.0024    0.0155

# Number of computed bands
            400            159
# Figure of merit at the beginning and the end of the refinement
         9.0967        38.3962
# Chi-squares at the beginning and the end of the refinement
    0.3297    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7263   -0.0654   -0.7289   -0.0565    0.0093    1
    2    1   -3   -2   -0.0145   -0.1765   -0.0133   -0.1793    0.0031    1
    3   -1    1    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0   -3   -1   -0.1948   -0.5777   -0.1976   -0.5890    0.0117    1
    5    1   -2   -1    0.0551   -0.2259    0.0566   -0.2258    0.0015    1
    6   -2    1    1   -0.1047    0.1174   -0.1046    0.1173    0.0002    1
    7    1   -4   -1    0.1118   -0.5915    0.1201   -0.5972    0.0101    1
    8    2   -3   -1    0.1423   -0.2232    0.1441   -0.2219    0.0022    1
    9   -1    0    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1    0    0.2258   -0.1299    0.2267   -0.1283    0.0018    1
   11    1   -3    0    0.5194   -0.6200    0.5314   -0.6143    0.0133    1
   12   -2   -1   -1   -0.1819   -0.0384   -0.1815   -0.0378    0.0007    1
   13    2   -1    1    0.1978   -0.0091    0.1981   -0.0091    0.0003    1
   14    2   -3    1    0.5294   -0.1564    0.5323   -0.1459    0.0109    1
   15   -1   -2   -1   -0.3334   -0.2373   -0.3358   -0.2354    0.0031    1
   16    1    0    1    0.1245    0.0353    0.1256    0.0356    0.0011    1
   17    1   -2    1    0.7313   -0.0916    0.7260   -0.0804    0.0125    1
   18    1   -4    1    1.0456   -0.5398    1.0655   -0.4953    0.0488    0
   19    1    1    2    0.0411    0.0276    0.0407    0.0272    0.0005    1
   20    1   -1    2    0.4452    0.1631    0.4436    0.1639    0.0018    1
   21    0   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    0    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    1    2    0.0342    0.2672    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1   -3   -2   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -1    1    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0   -3   -1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1   -2   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2    1    1   -0.1043    0.1167   -0.1046    0.1173    0.0006    1
    7    1   -4   -1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    2   -3   -1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    0    0   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1    0    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1   -3    0    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -2   -1   -1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    2   -1    1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    2   -3    1    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -1   -2   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1    0    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1   -2    1    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    1   -4    1    1.0587   -0.5120    1.0655   -0.4953    0.0180    1
   19    1    1    2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1   -1    2    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    0   -1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0    0    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1    1    2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.6                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8651    1.4140    0.8683   89.8871  109.7000   90.3305      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8644    1.4174    0.8641   90.0000  109.1579   90.0000      0.0000         1.0003    1.6403
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0326    0.0166    0.0000    0.8626    0.0000      0.0000         0.0172    0.0330
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1502   -1.1763    0.3179)
 a2 = (   -0.5692   -0.0441   -0.4174)
 a3 = (    0.6213   -0.7181   -0.7713)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1505   -1.1725    0.3205) (    0.0118    0.0030    0.0084)
 a2 = (   -0.5666   -0.0416   -0.4184) (    0.0151    0.0056    0.0077)
 a3 = (    0.6254   -0.7124   -0.7760) (    0.0149    0.0126    0.0150)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  156.1890  139.5930   64.1103    0.6073    0.4603    0.6943
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            131            155
# Figure of merit at the beginning and the end of the refinement
        33.4682        38.3145
# Chi-squares at the beginning and the end of the refinement
    0.0464    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2   -1   -1   -0.0141   -0.1764   -0.0133   -0.1793    0.0030    1
    3    2   -1    1   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4   -1   -2   -1   -0.1964   -0.5836   -0.1976   -0.5890    0.0055    1
    5   -1    0   -1    0.0560   -0.2254    0.0566   -0.2258    0.0006    1
    6    1   -2    1   -0.1049    0.1177   -0.1046    0.1173    0.0005    1
    7   -1   -1   -2    0.1172   -0.5950    0.1201   -0.5972    0.0036    1
    8   -1    1   -2    0.1433   -0.2216    0.1441   -0.2219    0.0008    1
    9    0   -3    1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10    0    1   -1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11    0    0   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1   -4    1   -0.1825   -0.0380   -0.1815   -0.0378    0.0010    1
   13    1    3   -2    0.1958   -0.0081    0.1981   -0.0091    0.0025    1
   14    1    2   -3    0.5279   -0.1490    0.5323   -0.1459    0.0053    1
   15   -1   -3    0   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16    1    2   -1    0.1231    0.0352    0.1256    0.0356    0.0025    1
   17    1    1   -2    0.7267   -0.0799    0.7260   -0.0804    0.0008    1
   18    1    0   -3    1.0574   -0.5134    1.0655   -0.4953    0.0199    1
   19    2    3   -1    0.0406    0.0273    0.0407    0.0272    0.0002    1
   20    1    1   -1    0.4393    0.1646    0.4436    0.1639    0.0043    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2    1   -1    0.2927    0.3296    0.2970    0.3320    0.0049    1
   23    1    0    0    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2   -2   -1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3    2   -1    1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -2   -1   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5   -1    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1   -2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -1   -2    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1   -2    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    0   -3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    0   -1    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12   -1   -4    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3   -2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2   -3    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15   -1   -3    0   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1    2   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    1    1   -2    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18    1    0   -3    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19    2    3   -1    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    1    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    2    1   -1    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    1    0    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.7                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8656    1.4136    0.8675   89.6591  109.5887   90.2368      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8641    1.4174    0.8644   90.0000  109.1579   90.0000      0.0000         0.9997    1.6398
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0267    0.0144    0.0000    0.8626    0.0000      0.0000         0.0172    0.0378
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6227   -0.7198   -0.7731)
 a2 = (    0.5706    0.0442    0.4159)
 a3 = (   -0.1496   -1.1716    0.3197)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6254   -0.7124   -0.7760) (    0.0071    0.0087    0.0061)
 a2 = (    0.5666    0.0416    0.4184) (    0.0132    0.0053    0.0055)
 a3 = (   -0.1505   -1.1725    0.3205) (    0.0125    0.0210    0.0080)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -46.8852   60.1921  -20.7544    0.4283    0.5211    0.5373
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            159            155
# Figure of merit at the beginning and the end of the refinement
        28.0295        38.3145
# Chi-squares at the beginning and the end of the refinement
    0.0706    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7245   -0.0562   -0.7289   -0.0565    0.0044    1
    2   -1    1   -2   -0.0140   -0.1757   -0.0133   -0.1793    0.0036    1
    3    1    1    2   -0.0255    0.0859   -0.0241    0.0824    0.0038    1
    4   -1    2   -1   -0.1966   -0.5828   -0.1976   -0.5890    0.0063    1
    5   -1    0   -1    0.0564   -0.2256    0.0566   -0.2258    0.0002    1
    6    1    2    1   -0.1043    0.1165   -0.1046    0.1173    0.0009    1
    7   -2    1   -1    0.1177   -0.5952    0.1201   -0.5972    0.0031    1
    8   -2   -1   -1    0.1442   -0.2222    0.1441   -0.2219    0.0002    1
    9    1    3    0   -0.1912    0.0481   -0.1940    0.0483    0.0029    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1    4   -1   -0.1792   -0.0369   -0.1815   -0.0378    0.0025    1
   13   -2   -3    1    0.1986   -0.0087    0.1981   -0.0091    0.0007    1
   14   -3   -2    1    0.5292   -0.1507    0.5323   -0.1459    0.0056    1
   15    0    3   -1   -0.3343   -0.2343   -0.3358   -0.2354    0.0018    1
   16   -1   -2    1    0.1264    0.0357    0.1256    0.0356    0.0008    1
   17   -2   -1    1    0.7283   -0.0829    0.7260   -0.0804    0.0034    1
   18   -3    0    1    1.0550   -0.5165    1.0655   -0.4953    0.0237    1
   19   -1   -3    2    0.0433    0.0289    0.0407    0.0272    0.0031    1
   20   -1   -1    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    1   -1   -0.0347   -0.0585   -0.0357   -0.0605    0.0022    1
   22   -1   -1    2    0.2970    0.3319    0.2970    0.3320    0.0002    1
   23    0    0    1    0.0343    0.2685    0.0342    0.2676    0.0009    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2   -1    1   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3    1    1    2   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    2   -1   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5   -1    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1    2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2    1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -2   -1   -1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    1    3    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    0    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    1    4   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2   -3    1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3   -2    1    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15    0    3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -1   -2    1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -2   -1    1    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18   -3    0    1    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19   -1   -3    2    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20   -1   -1    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -1    2    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    0    0    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.9                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8637    1.4152    0.8684   90.3409  109.5869   90.0735      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8641    1.4174    0.8644   90.0000  109.1579   90.0000      0.0000         0.9997    1.6398
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0267    0.0144    0.0000    0.8626    0.0000      0.0000         0.0172    0.0378
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6241    0.7214    0.7748)
 a2 = (    0.5679    0.0466    0.4180)
 a3 = (    0.1494    1.1703   -0.3194)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6254    0.7124    0.7760) (    0.0071    0.0087    0.0061)
 a2 = (    0.5666    0.0416    0.4184) (    0.0132    0.0053    0.0055)
 a3 = (    0.1505    1.1725   -0.3205) (    0.0125    0.0210    0.0080)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   46.8852  119.8079  159.2456    0.4283    0.5211    0.5373
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            151            155
# Figure of merit at the beginning and the end of the refinement
        33.1729        38.3145
# Chi-squares at the beginning and the end of the refinement
    0.0804    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7311   -0.0599   -0.7289   -0.0565    0.0041    1
    2    1    1    2   -0.0138   -0.1772   -0.0133   -0.1793    0.0022    1
    3   -1    1   -2   -0.0255    0.0859   -0.0241    0.0824    0.0038    1
    4    1    2    1   -0.1951   -0.5857   -0.1976   -0.5890    0.0042    1
    5    1    0    1    0.0568   -0.2265    0.0566   -0.2258    0.0008    1
    6   -1    2   -1   -0.1051    0.1174   -0.1046    0.1173    0.0005    1
    7    2    1    1    0.1190   -0.5960    0.1201   -0.5972    0.0017    1
    8    2   -1    1    0.1446   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1    3    0   -0.1937    0.0484   -0.1940    0.0483    0.0003    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    0    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1    4    1   -0.1818   -0.0379   -0.1815   -0.0378    0.0003    1
   13    2   -3   -1    0.1980   -0.0085    0.1981   -0.0091    0.0007    1
   14    3   -2   -1    0.5295   -0.1510    0.5323   -0.1459    0.0058    1
   15    0    3    1   -0.3363   -0.2377   -0.3358   -0.2354    0.0024    1
   16    1   -2   -1    0.1252    0.0355    0.1256    0.0356    0.0005    1
   17    2   -1   -1    0.7286   -0.0837    0.7260   -0.0804    0.0043    1
   18    3    0   -1    1.0532   -0.5177    1.0655   -0.4953    0.0256    1
   19    1   -3   -2    0.0419    0.0281    0.0407    0.0272    0.0015    1
   20    1   -1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    1    1   -0.0354   -0.0601   -0.0357   -0.0605    0.0005    1
   22    1   -1   -2    0.2970    0.3319    0.2970    0.3320    0.0002    1
   23    0    0   -1    0.0343    0.2685    0.0342    0.2676    0.0009    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2    1    1    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -1    1   -2   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    1    2    1   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5    1    0    1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -1    2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    2    1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    2   -1    1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    3    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    0    0    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12   -1    4    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    2   -3   -1    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    3   -2   -1    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15    0    3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1   -2   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    2   -1   -1    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18    3    0   -1    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19    1   -3   -2    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    1   -1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -1   -2    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    0    0   -1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.17                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8498    1.4183    0.8757   90.4404  108.5675   91.4538      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8663    1.4137    0.8657   90.0000  109.4108   90.0000      0.0000         1.0006    1.6330
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0170    0.0590    0.0338    0.0000    3.1895    0.0000      0.0000         0.0280    0.0341
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5298    0.4737    1.0184)
 a2 = (   -0.5940    0.3363    0.1778)
 a3 = (   -0.1805   -0.7613    0.9163)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5412    0.4208    1.0139) (    0.0073    0.0341    0.0162)
 a2 = (   -0.5958    0.3370    0.1782) (    0.0260    0.0159    0.0043)
 a3 = (   -0.1759   -0.7948    0.9150) (    0.0334    0.0400    0.0183)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.0849   59.9825  -20.8426    0.5202    1.7092    0.5759
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0023      0.0025    0.0024    0.0569

# Number of computed bands
            400            153
# Figure of merit at the beginning and the end of the refinement
         6.1349        37.9409
# Chi-squares at the beginning and the end of the refinement
    1.3221    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7369   -0.0901   -0.7289   -0.0565    0.0346    0
    2    1    1   -1   -0.0131   -0.1772   -0.0133   -0.1793    0.0022    1
    3   -1   -3    2   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4    2    1   -1   -0.1823   -0.5772   -0.1976   -0.5890    0.0193    1
    5    1    2   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -3    1   -0.1076    0.1189   -0.1046    0.1173    0.0034    1
    7    2    3   -1    0.1167   -0.5853    0.1201   -0.5972    0.0123    1
    8    1    4   -1    0.1436   -0.2225    0.1441   -0.2219    0.0007    1
    9    1   -3    0   -0.1991    0.0461   -0.1940    0.0483    0.0055    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3    0    0.5160   -0.6109    0.5314   -0.6143    0.0158    1
   12    2   -3   -1   -0.1843   -0.0427   -0.1815   -0.0378    0.0056    1
   13   -1    4    1    0.1971   -0.0070    0.1981   -0.0091    0.0023    1
   14    0    5    1    0.5280   -0.1542    0.5323   -0.1459    0.0093    1
   15    2   -1   -1   -0.3295   -0.2465   -0.3358   -0.2354    0.0128    1
   16   -1    2    1    0.1228    0.0364    0.1256    0.0356    0.0029    1
   17    0    3    1    0.7271   -0.0918    0.7260   -0.0804    0.0115    1
   18    1    4    1    1.0261   -0.5355    1.0655   -0.4953    0.0563    0
   19   -1    1    1    0.0394    0.0271    0.0407    0.0272    0.0014    1
   20   -1    3    2    0.4437    0.1639    0.4436    0.1639    0.0001    1
   21    1    0   -1   -0.0357   -0.0621   -0.0357   -0.0605    0.0016    1
   22   -1    1    2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -1    2    0.0342    0.2685    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7289   -0.0540   -0.7289   -0.0565    0.0025    1
    2    1    1   -1   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3   -1   -3    2   -0.0249    0.0852   -0.0241    0.0824    0.0028    1
    4    2    1   -1   -0.1965   -0.5869   -0.1976   -0.5890    0.0023    1
    5    1    2   -1    0.0572   -0.2264    0.0566   -0.2258    0.0010    1
    6    0   -3    1   -0.1040    0.1167   -0.1046    0.1173    0.0009    1
    7    2    3   -1    0.1198   -0.5973    0.1201   -0.5972    0.0004    1
    8    1    4   -1    0.1448   -0.2224    0.1441   -0.2219    0.0008    1
    9    1   -3    0   -0.1925    0.0486   -0.1940    0.0483    0.0016    1
   10    0    1    0    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11    1    3    0    0.5348   -0.6142    0.5314   -0.6143    0.0034    1
   12    2   -3   -1   -0.1813   -0.0376   -0.1815   -0.0378    0.0003    1
   13   -1    4    1    0.1976   -0.0087    0.1981   -0.0091    0.0006    1
   14    0    5    1    0.5294   -0.1496    0.5323   -0.1459    0.0046    1
   15    2   -1   -1   -0.3368   -0.2367   -0.3358   -0.2354    0.0016    1
   16   -1    2    1    0.1250    0.0350    0.1256    0.0356    0.0008    1
   17    0    3    1    0.7283   -0.0805    0.7260   -0.0804    0.0022    1
   18    1    4    1    1.0598   -0.5116    1.0655   -0.4953    0.0173    1
   19   -1    1    1    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20   -1    3    2    0.4419    0.1643    0.4436    0.1639    0.0018    1
   21    1    0   -1   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22   -1    1    2    0.2949    0.3306    0.2970    0.3320    0.0025    1
   23   -1   -1    2    0.0342    0.2666    0.0342    0.2676    0.0011    1

###            No.19                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8640    1.4106    0.8707   90.2092  109.5457   90.1714      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8648    1.4170    0.8664   90.0000  109.6282   90.0000      0.0000         0.9981    1.6354
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0052    0.0236    0.0145    0.0000    0.9650    0.0000      0.0000         0.0173    0.0308
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7480   -0.8363    0.4998)
 a2 = (   -0.0317    0.3806    0.5972)
 a3 = (   -1.1581    0.2930   -0.2410)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7466   -0.8382    0.4972) (    0.0110    0.0091    0.0057)
 a2 = (   -0.0276    0.3778    0.5955) (    0.0034    0.0091    0.0089)
 a3 = (   -1.1654    0.2929   -0.2399) (    0.0216    0.0113    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   25.6395  110.6255 -122.0942    0.3173    0.4862    0.5829
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            159            155
# Figure of merit at the beginning and the end of the refinement
        28.2297        37.9044
# Chi-squares at the beginning and the end of the refinement
    0.0750    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7397   -0.0576   -0.7289   -0.0565    0.0108    1
    2   -2    3    1   -0.0138   -0.1763   -0.0133   -0.1793    0.0031    1
    3    1   -1   -1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4   -1    3    0   -0.1944   -0.5889   -0.1976   -0.5890    0.0032    1
    5   -1    2    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1   -2   -0.1059    0.1194   -0.1046    0.1173    0.0024    1
    7   -1    4    1    0.1209   -0.5970    0.1201   -0.5972    0.0008    1
    8   -1    3    2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    0    0   -1   -0.1956    0.0495   -0.1940    0.0483    0.0020    1
   10    0    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0    3    1    0.5354   -0.6130    0.5314   -0.6143    0.0042    1
   12   -1    1   -2   -0.1832   -0.0381   -0.1815   -0.0378    0.0017    1
   13    1    1    2    0.1983   -0.0083    0.1981   -0.0091    0.0008    1
   14    1    3    2    0.5305   -0.1497    0.5323   -0.1459    0.0042    1
   15   -1    2   -1   -0.3383   -0.2395   -0.3358   -0.2354    0.0048    1
   16    1    0    1    0.1255    0.0358    0.1256    0.0356    0.0002    1
   17    1    2    1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1    4    1    1.0571   -0.5092    1.0655   -0.4953    0.0163    1
   19    2   -1    1    0.0424    0.0285    0.0407    0.0272    0.0021    1
   20    2    1    1    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21   -1    1    0   -0.0350   -0.0595   -0.0357   -0.0605    0.0013    1
   22    1    0    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    2   -1   -1    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2   -2    3    1   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -1   -1   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4   -1    3    0   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5   -1    2    1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1   -1   -2   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7   -1    4    1    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1    3    2    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9    0    0   -1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    0    1    1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11    0    3    1    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12   -1    1   -2   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13    1    1    2    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    1    3    2    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15   -1    2   -1   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16    1    0    1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17    1    2    1    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18    1    4    1    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19    2   -1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    2    1    1    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21   -1    1    0   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22    1    0    0    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23    2   -1   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.20                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8536    1.4255    0.8684   90.0469  108.8062   91.0277      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8648    1.4170    0.8664   90.0000  109.6282   90.0000      0.0000         0.9981    1.6354
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0052    0.0236    0.0145    0.0000    0.9650    0.0000      0.0000         0.0173    0.0308
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7382    0.8685   -0.4827)
 a2 = (   -0.0292    0.3737    0.5932)
 a3 = (    1.1563   -0.2863    0.2472)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7466    0.8382   -0.4972) (    0.0110    0.0091    0.0057)
 a2 = (   -0.0276    0.3778    0.5955) (    0.0034    0.0091    0.0089)
 a3 = (    1.1654   -0.2929    0.2399) (    0.0216    0.0113    0.0061)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -25.6395   69.3745   57.9058    0.3173    0.4862    0.5829
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            400            155
# Figure of merit at the beginning and the end of the refinement
         6.0008        37.9044
# Chi-squares at the beginning and the end of the refinement
    0.6557    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2    2    3   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -1   -1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    3    0   -0.1926   -0.5888   -0.1976   -0.5890    0.0050    1
    5    1    2   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1    2   -0.1050    0.1188   -0.1046    0.1173    0.0016    1
    7    1    4   -1    0.1202   -0.5958    0.1201   -0.5972    0.0014    1
    8    1    3   -2    0.1430   -0.2204    0.1441   -0.2219    0.0019    1
    9    0    0    1   -0.2015    0.0499   -0.1940    0.0483    0.0076    1
   10    0    1   -1    0.2228   -0.1240    0.2267   -0.1283    0.0058    1
   11    0    3   -1    0.5403   -0.6113    0.5314   -0.6143    0.0093    1
   12    1    1    2   -0.1908   -0.0423   -0.1815   -0.0378    0.0103    1
   13   -1    1   -2    0.1886   -0.0048    0.1981   -0.0091    0.0104    1
   14   -1    3   -2    0.5269   -0.1385    0.5323   -0.1459    0.0092    1
   15    1    2    1   -0.3397   -0.2460   -0.3358   -0.2354    0.0113    1
   16   -1    0   -1    0.1135    0.0349    0.1256    0.0356    0.0121    1
   17   -1    2   -1    0.7229   -0.0611    0.7260   -0.0804    0.0195    1
   18   -1    4   -1    1.0755   -0.4879    1.0655   -0.4953    0.0124    1
   19   -2   -1   -1    0.0322    0.0226    0.0407    0.0272    0.0098    1
   20   -2    1   -1    0.4233    0.1713    0.4436    0.1639    0.0216    1
   21    1    1    0   -0.0383   -0.0671   -0.0357   -0.0605    0.0071    1
   22   -1    0    0    0.2742    0.3227    0.2970    0.3320    0.0246    0
   23   -2   -1    1    0.0309    0.2547    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2    2    3   -1   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -1    1   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4    1    3    0   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    1    2   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -1   -1    2   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7    1    4   -1    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8    1    3   -2    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9    0    0    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    0    1   -1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11    0    3   -1    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12    1    1    2   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13   -1    1   -2    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -1    3   -2    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15    1    2    1   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -1    0   -1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17   -1    2   -1    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18   -1    4   -1    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19   -2   -1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -2    1   -1    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21    1    1    0   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22   -1    0    0    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23   -2   -1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.22                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8656    1.4180    0.8658   89.3663  109.7748   90.3977      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8671    1.4156    0.8653   90.0000  109.7064   90.0000      0.0000         1.0020    1.6359
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0050    0.0235    0.0143    0.0000    0.9133    0.0000      0.0000         0.0146    0.0325
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9306   -0.6524   -0.4640)
 a2 = (    0.2125   -0.5660    0.3633)
 a3 = (   -0.9851    0.1090    0.7240)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9281   -0.6493   -0.4666) (    0.0074    0.0077    0.0083)
 a2 = (    0.2100   -0.5649    0.3684) (    0.0058    0.0112    0.0049)
 a3 = (   -0.9850    0.1064    0.7246) (    0.0153    0.0107    0.0127)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -36.1388   40.2271 -115.8809    0.5793    0.4710    0.6991
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
            157            159
# Figure of merit at the beginning and the end of the refinement
        22.4582        37.8626
# Chi-squares at the beginning and the end of the refinement
    0.1351    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7196   -0.0544   -0.7289   -0.0565    0.0095    1
    2   -2   -3    1   -0.0138   -0.1796   -0.0133   -0.1793    0.0006    1
    3    1    4   -1   -0.0240    0.0804   -0.0241    0.0824    0.0020    1
    4   -2   -1    1   -0.1962   -0.5852   -0.1976   -0.5890    0.0040    1
    5   -1   -2    1    0.0580   -0.2290    0.0566   -0.2258    0.0036    1
    6    0    3   -1   -0.1006    0.1121   -0.1046    0.1173    0.0065    1
    7   -1   -1    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -1   -3    2    0.1465   -0.2244    0.1441   -0.2219    0.0035    1
    9   -1    2   -1   -0.1875    0.0471   -0.1940    0.0483    0.0067    1
   10    0   -1    1    0.2286   -0.1288    0.2267   -0.1283    0.0020    1
   11   -1   -1    2    0.5340   -0.6127    0.5314   -0.6143    0.0031    1
   12   -2    1   -1   -0.1779   -0.0366   -0.1815   -0.0378    0.0038    1
   13    1   -1    2    0.1990   -0.0084    0.1981   -0.0091    0.0011    1
   14    0   -1    3    0.5289   -0.1491    0.5323   -0.1459    0.0046    1
   15   -1    0    0   -0.3343   -0.2344   -0.3358   -0.2354    0.0018    1
   16    1    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    0    1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -1    0    3    1.0550   -0.5104    1.0655   -0.4953    0.0184    1
   19    2    1    1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20    1    1    2    0.4402    0.1638    0.4436    0.1639    0.0034    1
   21   -1   -1    0   -0.0362   -0.0614   -0.0357   -0.0605    0.0010    1
   22    1    2    1    0.2924    0.3286    0.2970    0.3320    0.0057    1
   23    1    3    0    0.0327    0.2622    0.0342    0.2676    0.0057    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -2   -3    1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    1    4   -1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4   -2   -1    1   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5   -1   -2    1    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6    0    3   -1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7   -1   -1    1    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8   -1   -3    2    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9   -1    2   -1   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    0   -1    1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11   -1   -1    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -2    1   -1   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13    1   -1    2    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14    0   -1    3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15   -1    0    0   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16    1    0    1    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17    0    0    1    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18   -1    0    3    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19    2    1    1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20    1    1    2    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21   -1   -1    0   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22    1    2    1    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23    1    3    0    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.23                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9855    1.0141    1.0013   91.9005   90.8349   90.4410      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9990    1.0034    0.9975   90.0000   89.9713   90.0000      0.0000         1.0015    1.0059
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0409    0.0149    0.0000    0.8049    0.0000      0.0000         0.0150    0.0436
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2550   -0.9544   -0.2323)
 a2 = (   -0.1480    0.1850   -0.9578)
 a3 = (    0.9533    0.2704   -0.1294)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2375   -0.9455   -0.2271) (    0.0093    0.0029    0.0069)
 a2 = (   -0.1820    0.1854   -0.9621) (    0.0131    0.0124    0.0376)
 a3 = (    0.9563    0.2717   -0.1286) (    0.0151    0.0084    0.0059)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.7755   97.3772  105.8305    0.4159    0.3383    0.5617
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0023    0.0023    0.0410

# Number of computed bands
            400            167
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.8405
# Chi-squares at the beginning and the end of the refinement
    1.9802    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -3    0    1   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3    3   -1    0   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4   -2   -1    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5   -1    0    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6    2   -1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7   -3   -1    0    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8   -3    0   -1    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9    1   -1    2   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10   -1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -1   -1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    0   -1    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1    0   -3    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14   -2   -1   -3    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15   -1   -1    2   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1   -2    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18   -1   -1   -1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19    1    0   -3    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    0   -1   -3    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -1    0    1   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22    1   -1   -2    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23    2   -1   -1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7290   -0.0556   -0.7289   -0.0565    0.0009    1
    2   -3    0    1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    3   -1    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -2   -1    1   -0.1964   -0.5868   -0.1976   -0.5890    0.0025    1
    5   -1    0    0    0.0572   -0.2267    0.0566   -0.2258    0.0011    1
    6    2   -1    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -3   -1    0    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -3    0   -1    0.1450   -0.2226    0.1441   -0.2219    0.0011    1
    9    1   -1    2   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    0   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2   -1   -1    0.5350   -0.6139    0.5314   -0.6143    0.0036    1
   12    0   -1    3   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -1    0   -3    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14   -2   -1   -3    0.5294   -0.1493    0.5323   -0.1459    0.0045    1
   15   -1   -1    2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    0   -1    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17   -1   -1   -2    0.7278   -0.0804    0.7260   -0.0804    0.0018    1
   18   -1   -1   -1    1.0586   -0.5112    1.0655   -0.4953    0.0173    1
   19    1    0   -3    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20    0   -1   -3    0.4418    0.1640    0.4436    0.1639    0.0018    1
   21   -1    0    1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22    1   -1   -2    0.2953    0.3304    0.2970    0.3320    0.0023    1
   23    2   -1   -1    0.0344    0.2669    0.0342    0.2676    0.0008    1

###            No.24                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0048    0.9906    1.0048   90.1692   90.0261   90.9941      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9975    1.0034    0.9990   90.0000   90.0287   90.0000      0.0000         0.9985    1.0044
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0435    0.0149    0.0000    0.8049    0.0000      0.0000         0.0149    0.0410
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9495   -0.2693    0.1288)
 a2 = (   -0.2015    0.1801   -0.9728)
 a3 = (    0.2355   -0.9402   -0.2259)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9563   -0.2717    0.1286) (    0.0025    0.0083    0.0058)
 a2 = (   -0.1820    0.1854   -0.9621) (    0.0137    0.0129    0.0400)
 a3 = (    0.2375   -0.9455   -0.2271) (    0.0096    0.0144    0.0082)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  172.4307  103.1168   14.1313    0.3483    0.4133    0.4910
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0019      0.0023    0.0023    0.0410

# Number of computed bands
            400            168
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.7277
# Chi-squares at the beginning and the end of the refinement
    0.1120    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    0   -3   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    0   -1    3   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -1   -1   -2   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0    0   -1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1   -1    2   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7    0   -1   -3    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    1    0   -3    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -2   -1    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1   -2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -3   -1    0   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    3    0   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    3   -1   -2    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -2   -1   -1   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -1   -1    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18    1   -1   -1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    3    0    1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    3   -1    0    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21   -1    0   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    2   -1    1    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23    1   -1    2    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7290   -0.0556   -0.7289   -0.0565    0.0009    1
    2   -1    0   -3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0   -1    3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -1   -2   -0.1964   -0.5868   -0.1976   -0.5890    0.0025    1
    5    0    0   -1    0.0572   -0.2267    0.0566   -0.2258    0.0011    1
    6   -1   -1    2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    0   -1   -3    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    1    0   -3    0.1450   -0.2226    0.1441   -0.2219    0.0011    1
    9   -2   -1    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    1    0   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -1   -2    0.5350   -0.6139    0.5314   -0.6143    0.0036    1
   12   -3   -1    0   -0.1811   -0.0378   -0.1815   -0.0378    0.0004    1
   13    3    0   -1    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14    3   -1   -2    0.5294   -0.1493    0.5323   -0.1459    0.0045    1
   15   -2   -1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1    0    0    0.1250    0.0351    0.1256    0.0356    0.0008    1
   17    2   -1   -1    0.7278   -0.0804    0.7260   -0.0804    0.0018    1
   18    1   -1   -1    1.0586   -0.5112    1.0655   -0.4953    0.0173    1
   19    3    0    1    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20    3   -1    0    0.4418    0.1640    0.4436    0.1639    0.0018    1
   21   -1    0   -1   -0.0351   -0.0604   -0.0357   -0.0605    0.0006    1
   22    2   -1    1    0.2953    0.3304    0.2970    0.3320    0.0023    1
   23    1   -1    2    0.0344    0.2669    0.0342    0.2676    0.0008    1

###            No.25                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8653    1.4146    0.8682   90.2195  109.7733   90.7283      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8664    1.4170    0.8648   90.0000  109.6282   90.0000      0.0000         1.0019    1.6385
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0052    0.0270    0.0172    0.0000    0.9650    0.0000      0.0000         0.0174    0.0298
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1687    0.2910   -0.2408)
 a2 = (    0.0170   -0.3803   -0.5958)
 a3 = (   -0.7454   -0.8333    0.4980)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.1654    0.2929   -0.2399) (    0.0035    0.0111    0.0065)
 a2 = (    0.0276   -0.3778   -0.5955) (    0.0036    0.0090    0.0111)
 a3 = (   -0.7466   -0.8382    0.4972) (    0.0154    0.0194    0.0088)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.9383   60.0153  -20.7203    0.3486    0.4359    0.5677
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            133            157
# Figure of merit at the beginning and the end of the refinement
        19.1043        37.6622
# Chi-squares at the beginning and the end of the refinement
    0.0791    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7221   -0.0560   -0.7289   -0.0565    0.0068    1
    2    1   -3   -2   -0.0154   -0.1763   -0.0133   -0.1793    0.0037    1
    3   -1    1    1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    0   -3   -1   -0.2044   -0.5812   -0.1976   -0.5890    0.0103    1
    5    1   -2   -1    0.0550   -0.2268    0.0566   -0.2258    0.0018    1
    6   -2    1    1   -0.1063    0.1186   -0.1046    0.1173    0.0021    1
    7    1   -4   -1    0.1116   -0.6008    0.1201   -0.5972    0.0093    1
    8    2   -3   -1    0.1437   -0.2236    0.1441   -0.2219    0.0017    1
    9   -1    0    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3    0    0.5332   -0.6259    0.5314   -0.6143    0.0117    1
   12   -2   -1   -1   -0.1813   -0.0374   -0.1815   -0.0378    0.0005    1
   13    2   -1    1    0.1971   -0.0082    0.1981   -0.0091    0.0013    1
   14    2   -3    1    0.5327   -0.1512    0.5323   -0.1459    0.0052    1
   15   -1   -2   -1   -0.3357   -0.2327   -0.3358   -0.2354    0.0027    1
   16    1    0    1    0.1244    0.0352    0.1256    0.0356    0.0013    1
   17    1   -2    1    0.7345   -0.0823    0.7260   -0.0804    0.0087    1
   18    1   -4    1    1.0709   -0.5288    1.0655   -0.4953    0.0340    1
   19    1    1    2    0.0419    0.0278    0.0407    0.0272    0.0013    1
   20    1   -1    2    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    0   -1   -1   -0.0355   -0.0592   -0.0357   -0.0605    0.0013    1
   22    0    0    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    1    2    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2    1   -3   -2   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    1    1   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4    0   -3   -1   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    1   -2   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -2    1    1   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7    1   -4   -1    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8    2   -3   -1    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9   -1    0    0   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10    1   -1    0    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11    1   -3    0    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12   -2   -1   -1   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13    2   -1    1    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14    2   -3    1    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15   -1   -2   -1   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16    1    0    1    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17    1   -2    1    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18    1   -4    1    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19    1    1    2    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20    1   -1    2    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21    0   -1   -1   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22    0    0    1    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23   -1    1    2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.27                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9906    1.0048    1.0048   90.0261   90.9941   90.1692      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0039    0.9989    0.9972   90.0000   90.0749   90.0000      0.0000         1.0067    1.0018
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0427    0.0461    0.0000    1.6056    0.0000      0.0000         0.0466    0.0151
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2015    0.1801   -0.9728)
 a2 = (    0.2355   -0.9402   -0.2259)
 a3 = (   -0.9495   -0.2693    0.1288)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1829    0.1849   -0.9616) (    0.0212    0.0104    0.0030)
 a2 = (    0.2379   -0.9455   -0.2270) (    0.0120    0.0417    0.0061)
 a3 = (   -0.9568   -0.2715    0.1284) (    0.0455    0.0121    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2202   82.5697  -74.1398    0.4308    1.2568    0.4650
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400            167
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.6391
# Chi-squares at the beginning and the end of the refinement
    0.1276    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3   -1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -1    3    0   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -1   -2   -1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0   -1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1    2   -1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7   -1   -3    0    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    0   -3    1    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -1    1   -2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1    0   -3   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    0   -1    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -2    3    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -1   -1   -2   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    2    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18   -1   -1    1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    0    1    3    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1    0    3    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    0   -1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    1    2    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23   -1    2    1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2    0   -3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -1    3    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -2   -1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0   -1    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    2   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1   -3    0    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    0   -3    1    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9   -1    1   -2   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    0   -1    1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1   -2    1    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12   -1    0   -3   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13    0   -1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -1   -2    3    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15   -1   -1   -2   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16    0    0    1    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17   -1   -1    2    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18   -1   -1    1    1.0584   -0.5118    1.0655   -0.4953    0.0180    1
   19    0    1    3    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -1    0    3    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    0   -1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    1    2    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23   -1    2    1    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.28                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9980    1.0009    1.0011   90.0245   90.2806   90.5921      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0121    0.9920    0.9960   90.0000   89.5245   90.0000      0.0000         1.0162    0.9960
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0003    0.0731    0.0725    0.0000    2.1195    0.0000      0.0000         0.0742    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1930   -0.1785    0.9670)
 a2 = (    0.9531    0.2703   -0.1296)
 a3 = (   -0.2364    0.9437    0.2264)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1804   -0.1887    0.9529) (    0.0062    0.0216    0.0045)
 a2 = (    0.9618    0.2732   -0.1280) (    0.0723    0.0191    0.0055)
 a3 = (   -0.2396    0.9488    0.2247) (    0.0207    0.0725    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.4980   76.5994 -165.8897    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            145            163
# Figure of merit at the beginning and the end of the refinement
        20.8895        37.4919
# Chi-squares at the beginning and the end of the refinement
    0.2864    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7260   -0.0582   -0.7289   -0.0565    0.0034    1
    2    0    1    3   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1    0   -3   -0.0263    0.0877   -0.0241    0.0824    0.0057    1
    4    1    1    2   -0.1988   -0.5843   -0.1976   -0.5890    0.0048    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1   -2   -0.1065    0.1181   -0.1046    0.1173    0.0020    1
    7    1    0    3    0.1164   -0.5980    0.1201   -0.5972    0.0038    1
    8    0   -1    3    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    2   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    2    0.5322   -0.6210    0.5314   -0.6143    0.0068    1
   12    1    3    0   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    0   -3    1    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    1   -3    2    0.5326   -0.1524    0.5323   -0.1459    0.0064    1
   15    1    2    1   -0.3362   -0.2357   -0.3358   -0.2354    0.0006    1
   16    0   -1    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    1   -2    1    0.7354   -0.0847    0.7260   -0.0804    0.0103    1
   18    1   -1    1    1.0650   -0.5290    1.0655   -0.4953    0.0337    1
   19    0   -3   -1    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    1   -3    0    0.4470    0.1659    0.4436    0.1639    0.0040    1
   21    0    1    1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1   -2   -1    0.2985    0.3361    0.2970    0.3320    0.0044    1
   23    1   -1   -2    0.0334    0.2714    0.0342    0.2676    0.0039    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    0    1    3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    1    0   -3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1    2   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    0    0    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1    1   -2   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    1    0    3    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    0   -1    3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    1    2   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    0   -1    1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    1   -1    2    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1    3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    0   -3    1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    1   -3    2    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    1    2    1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1   -2    1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    1   -1    1    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    0   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    0    1    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    1   -2   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    1   -1   -2    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.29                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9992    0.9990    1.0018   89.9956   90.1569   90.0274      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9960    0.9920    1.0121   90.0000   89.5245   90.0000      0.0000         0.9841    0.9801
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0003    0.0139    0.0742    0.0000    2.1195    0.0000      0.0000         0.0719    0.0725
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2368   -0.9455   -0.2269)
 a2 = (   -0.9549   -0.2708    0.1299)
 a3 = (   -0.1829    0.1827   -0.9642)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2396   -0.9488   -0.2247) (    0.0060    0.0036    0.0170)
 a2 = (   -0.9618   -0.2732    0.1280) (    0.0140    0.0064    0.0074)
 a3 = (   -0.1804    0.1887   -0.9529) (    0.0165    0.0147    0.0724)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.4323  165.0932 -135.4092    1.2026    1.0432    1.2933
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            161            163
# Figure of merit at the beginning and the end of the refinement
        34.2913        37.4919
# Chi-squares at the beginning and the end of the refinement
    0.0359    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1    0   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    3    0   -1   -0.0256    0.0864   -0.0241    0.0824    0.0042    1
    4   -2   -1   -1   -0.1963   -0.5849   -0.1976   -0.5890    0.0043    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1049    0.1173   -0.1046    0.1173    0.0003    1
    7   -3    0   -1    0.1185   -0.5962    0.1201   -0.5972    0.0018    1
    8   -3    1    0    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9    1   -2   -1   -0.1928    0.0485   -0.1940    0.0483    0.0013    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1   -1    0.5329   -0.6149    0.5314   -0.6143    0.0016    1
   12    0   -3   -1   -0.1808   -0.0374   -0.1815   -0.0378    0.0008    1
   13   -1    3    0    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14   -2    3   -1    0.5301   -0.1505    0.5323   -0.1459    0.0051    1
   15   -1   -2   -1   -0.3359   -0.2361   -0.3358   -0.2354    0.0007    1
   16    0    1    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17   -1    2   -1    0.7295   -0.0822    0.7260   -0.0804    0.0039    1
   18   -1    1   -1    1.0577   -0.5159    1.0655   -0.4953    0.0220    1
   19    1    3    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    0    3   -1    0.4437    0.1647    0.4436    0.1639    0.0008    1
   21   -1   -1    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1    2   -1    0.2966    0.3324    0.2970    0.3320    0.0005    1
   23    2    1   -1    0.0342    0.2687    0.0342    0.2676    0.0011    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -3   -1    0   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    3    0   -1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -2   -1   -1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5   -1    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    2   -1   -1   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -3    0   -1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8   -3    1    0    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    1   -2   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10   -1    1    0    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -2    1   -1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    0   -3   -1   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13   -1    3    0    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -2    3   -1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15   -1   -2   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1    2   -1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18   -1    1   -1    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    1    3    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    3   -1    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21   -1   -1    0   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    1    2   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    2    1   -1    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.32                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9973    1.0021    1.0007   89.9453   90.1618   90.4955      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0121    0.9920    0.9960   90.0000   89.5245   90.0000      0.0000         1.0162    0.9960
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0003    0.0731    0.0725    0.0000    2.1195    0.0000      0.0000         0.0742    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1736    0.1863   -0.9699)
 a2 = (    0.9522    0.2701   -0.1275)
 a3 = (    0.2365   -0.9441   -0.2265)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1804    0.1887   -0.9529) (    0.0062    0.0216    0.0045)
 a2 = (    0.9618    0.2732   -0.1280) (    0.0723    0.0191    0.0055)
 a3 = (    0.2396   -0.9488   -0.2247) (    0.0207    0.0725    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -97.4980  103.4006   14.1103    0.4092    1.2410    0.3706
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            163            163
# Figure of merit at the beginning and the end of the refinement
        22.0792        37.4919
# Chi-squares at the beginning and the end of the refinement
    0.1925    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2    0    1   -3   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3   -1    0    3   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4   -1    1   -2   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1    2   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7   -1    0   -3    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    0   -1   -3    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9   -1    2    1   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    0   -1   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -1   -1   -2    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12   -1    3    0   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    0   -3   -1    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -1   -3   -2    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15   -1    2   -1   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0   -1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1   -2   -1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -1   -1   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    0   -3    1    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -1   -3    0    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    0    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -2    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -1    2    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    0    1   -3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -1    0    3   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1   -2   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    0    0   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1    2   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -1    0   -3    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    0   -1   -3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9   -1    2    1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    0   -1   -1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -1   -1   -2    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1    3    0   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    0   -3   -1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -1   -3   -2    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15   -1    2   -1   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -2   -1    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18   -1   -1   -1    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    0   -3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -3    0    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    0    1   -1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -1   -2    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1   -1    2    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.34                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0013    0.9855    1.0141   90.4410   91.9005   90.8349      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9972    0.9989    1.0039   90.0000   89.9251   90.0000      0.0000         0.9933    0.9951
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0150    0.0465    0.0000    1.6056    0.0000      0.0000         0.0460    0.0426
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9533    0.2704   -0.1294)
 a2 = (    0.2550   -0.9544   -0.2323)
 a3 = (   -0.1480    0.1850   -0.9578)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9568    0.2715   -0.1284) (    0.0023    0.0059    0.0082)
 a2 = (    0.2379   -0.9455   -0.2270) (    0.0067    0.0139    0.0088)
 a3 = (   -0.1829    0.1849   -0.9616) (    0.0220    0.0172    0.0437)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -150.5468  164.9042 -135.5575    1.2999    0.5533    1.3871
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400            169
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.4158
# Chi-squares at the beginning and the end of the refinement
    0.1480    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    1   -3    0   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3    0    3   -1   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    1   -2   -1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    0   -1    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6    1    2   -1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    0   -3   -1    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8   -1   -3    0    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9    2    1   -1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10   -1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2   -1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    3    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3   -1    0    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14   -3   -2   -1    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    2   -1   -1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -1   -1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18   -1   -1   -1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -3    1    0    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20   -3    0   -1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1   -1    0   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22   -2    1   -1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -1    2   -1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2    1   -3    0   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    0    3   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1   -2   -1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0   -1    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6    1    2   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    0   -3   -1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8   -1   -3    0    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9    2    1   -1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1   -1    0    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1   -2   -1    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12    3    0   -1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -3   -1    0    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -3   -2   -1    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15    2   -1   -1   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16   -1    0    0    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17   -2   -1   -1    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18   -1   -1   -1    1.0584   -0.5118    1.0655   -0.4953    0.0180    1
   19   -3    1    0    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20   -3    0   -1    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2    1   -1    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23   -1    2   -1    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.36                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9855    1.0013    1.0141   91.9005   90.4410   90.8349      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0004    0.9989    1.0007   90.0000   90.1332   90.0000      0.0000         0.9997    0.9982
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0148    0.0842    0.0000    2.4344    0.0000      0.0000         0.0842    0.0868
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2550    0.9544    0.2323)
 a2 = (   -0.9533   -0.2704    0.1294)
 a3 = (    0.1480   -0.1850    0.9578)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2373    0.9439    0.2278) (    0.0065    0.0041    0.0198)
 a2 = (   -0.9550   -0.2712    0.1288) (    0.0148    0.0066    0.0084)
 a3 = (    0.1826   -0.1845    0.9650) (    0.0194    0.0160    0.0844)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.5474   15.1728   44.4409    1.2245    1.2361    1.3246
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0026      0.0024    0.0024    0.0902

# Number of computed bands
            400            169
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.2881
# Chi-squares at the beginning and the end of the refinement
    0.3142    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3   -1    0   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -3    0    1   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    2   -1    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1    0    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -2   -1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    3    0    1    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    3    1    0    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9   -1   -2    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    0   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    0    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    2    3    1    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    1   -2    1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    2    1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    1    1    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -1    3    0    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    0    3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1   -1    0   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22   -1    2    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -2    1    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7285   -0.0558   -0.7289   -0.0565    0.0008    1
    2    3   -1    0   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3   -3    0    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2   -1    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2   -1    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    3    0    1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    3    1    0    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9   -1   -2    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    1    1    0    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    2    1    1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    0   -3    1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    3    0    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    2    3    1    0.5293   -0.1494    0.5323   -0.1459    0.0045    1
   15    1   -2    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0    1    0    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1    2    1    0.7279   -0.0807    0.7260   -0.0804    0.0019    1
   18    1    1    1    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19   -1    3    0    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    0    3    1    0.4418    0.1639    0.4436    0.1639    0.0017    1
   21    1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    2    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -2    1    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.37                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8604    1.4238    0.8646   91.2199  109.1976   90.1410      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8684    1.4113    0.8629   90.0000  108.9918   90.0000      0.0000         1.0064    1.6356
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0126    0.0459    0.0257    0.0000    2.4088    0.0000      0.0000         0.0201    0.0285
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5576   -0.4240   -1.0120)
 a2 = (   -0.5916    0.3349    0.1771)
 a3 = (    0.1497    0.8060   -0.9103)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5374   -0.4204   -1.0087) (    0.0058    0.0223    0.0109)
 a2 = (   -0.5973    0.3373    0.1777) (    0.0200    0.0128    0.0037)
 a3 = (    0.1806    0.7997   -0.9111) (    0.0260    0.0301    0.0130)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -73.1581  120.0704  159.1728    0.3905    1.1531    0.4287
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            129            155
# Figure of merit at the beginning and the end of the refinement
        15.8377        36.9651
# Chi-squares at the beginning and the end of the refinement
    0.2984    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7221   -0.0560   -0.7289   -0.0565    0.0068    1
    2   -1    1    1   -0.0131   -0.1772   -0.0133   -0.1793    0.0022    1
    3    1   -3   -2   -0.0252    0.0836   -0.0241    0.0824    0.0016    1
    4   -2    1    1   -0.1971   -0.5822   -0.1976   -0.5890    0.0068    1
    5   -1    2    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -3   -1   -0.1040    0.1159   -0.1046    0.1173    0.0015    1
    7   -2    3    1    0.1144   -0.5967    0.1201   -0.5972    0.0057    1
    8   -1    4    1    0.1436   -0.2225    0.1441   -0.2219    0.0007    1
    9   -1   -3    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3    0    0.5332   -0.6259    0.5314   -0.6143    0.0117    1
   12   -2   -3    1   -0.1832   -0.0391   -0.1815   -0.0378    0.0021    1
   13    1    4   -1    0.1971   -0.0070    0.1981   -0.0091    0.0023    1
   14    0    5   -1    0.5360   -0.1498    0.5323   -0.1459    0.0053    1
   15   -2   -1    1   -0.3352   -0.2382   -0.3358   -0.2354    0.0028    1
   16    1    2   -1    0.1228    0.0364    0.1256    0.0356    0.0029    1
   17    0    3   -1    0.7411   -0.0766    0.7260   -0.0804    0.0156    1
   18   -1    4   -1    1.0839   -0.5301    1.0655   -0.4953    0.0394    1
   19    1    1   -1    0.0394    0.0271    0.0407    0.0272    0.0014    1
   20    1    3   -2    0.4414    0.1729    0.4436    0.1639    0.0093    1
   21   -1    0    1   -0.0357   -0.0621   -0.0357   -0.0605    0.0016    1
   22    1    1   -2    0.2861    0.3359    0.2970    0.3320    0.0116    1
   23    1   -1   -2    0.0295    0.2631    0.0342    0.2676    0.0066    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2   -1    1    1   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -3   -2   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -2    1    1   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5   -1    2    1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    0   -3   -1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7   -2    3    1    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8   -1    4    1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9   -1   -3    0   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    1    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11   -1    3    0    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12   -2   -3    1   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    1    4   -1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    0    5   -1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -2   -1    1   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    1    2   -1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17    0    3   -1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18   -1    4   -1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    1    1   -1    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20    1    3   -2    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21   -1    0    1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22    1    1   -2    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23    1   -1   -2    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.39                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8595    1.4203    0.8647   89.5743  108.6608   90.7199      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8629    1.4113    0.8684   90.0000  108.9918   90.0000      0.0000         0.9936    1.6252
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0125    0.0361    0.0157    0.0000    2.4088    0.0000      0.0000         0.0198    0.0336
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1777   -0.8109    0.9050)
 a2 = (    0.5937   -0.3361   -0.1743)
 a3 = (    0.5322    0.4234    1.0138)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1806   -0.7997    0.9111) (    0.0234    0.0162    0.0185)
 a2 = (    0.5973   -0.3373   -0.1777) (    0.0160    0.0102    0.0040)
 a3 = (    0.5374    0.4204    1.0087) (    0.0136    0.0231    0.0229)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  108.6398   51.6736  138.7332    0.3712    1.4853    0.5951
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            135            155
# Figure of merit at the beginning and the end of the refinement
        13.2783        36.9651
# Chi-squares at the beginning and the end of the refinement
    0.1541    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2   -1   -1    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    2    3   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1   -1    2   -0.1913   -0.5883   -0.1976   -0.5890    0.0064    1
    5   -1   -2    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    3    0   -0.1042    0.1182   -0.1046    0.1173    0.0010    1
    7   -1   -3    2    0.1199   -0.5930    0.1201   -0.5972    0.0042    1
    8   -1   -4    1    0.1424   -0.2206    0.1441   -0.2219    0.0021    1
    9    0    3    1   -0.1994    0.0504   -0.1940    0.0483    0.0058    1
   10    0   -1    0    0.2224   -0.1259    0.2267   -0.1283    0.0050    1
   11    0   -3    1    0.5317   -0.6096    0.5314   -0.6143    0.0047    1
   12   -1    3    2   -0.1896   -0.0407   -0.1815   -0.0378    0.0086    1
   13    1   -4   -1    0.1905   -0.0068    0.1981   -0.0091    0.0079    1
   14    1   -5    0    0.5246   -0.1450    0.5323   -0.1459    0.0077    1
   15   -1    1    2   -0.3402   -0.2449   -0.3358   -0.2354    0.0105    1
   16    1   -2   -1    0.1162    0.0344    0.1256    0.0356    0.0094    1
   17    1   -3    0    0.7217   -0.0727    0.7260   -0.0804    0.0088    1
   18    1   -4    1    1.0576   -0.5010    1.0655   -0.4953    0.0097    1
   19    1   -1   -1    0.0341    0.0235    0.0407    0.0272    0.0076    1
   20    2   -3   -1    0.4295    0.1669    0.4436    0.1639    0.0144    1
   21   -1    0    1   -0.0381   -0.0662   -0.0357   -0.0605    0.0062    1
   22    2   -1   -1    0.2810    0.3243    0.2970    0.3320    0.0177    1
   23    2    1   -1    0.0317    0.2572    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2   -1   -1    1   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3    2    3   -1   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4   -1   -1    2   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5   -1   -2    1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    1    3    0   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7   -1   -3    2    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8   -1   -4    1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9    0    3    1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0   -1    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    0   -3    1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12   -1    3    2   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13    1   -4   -1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    1   -5    0    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15   -1    1    2   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16    1   -2   -1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17    1   -3    0    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    1   -4    1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19    1   -1   -1    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20    2   -3   -1    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21   -1    0    1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22    2   -1   -1    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23    2    1   -1    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.40                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8645    1.4127    0.8681   90.1410  109.4097   90.2151      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8684    1.4113    0.8629   90.0000  108.9918   90.0000      0.0000         1.0064    1.6356
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0126    0.0459    0.0257    0.0000    2.4088    0.0000      0.0000         0.0201    0.0285
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5389    0.4275    1.0153)
 a2 = (   -0.5961    0.3375    0.1784)
 a3 = (   -0.1775   -0.7878    0.9162)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5374    0.4204    1.0087) (    0.0058    0.0223    0.0109)
 a2 = (   -0.5973    0.3373    0.1777) (    0.0200    0.0128    0.0037)
 a3 = (   -0.1806   -0.7997    0.9111) (    0.0260    0.0301    0.0130)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.1581   59.9296  -20.8272    0.3905    1.1531    0.4287
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            159            155
# Figure of merit at the beginning and the end of the refinement
        34.1334        36.9651
# Chi-squares at the beginning and the end of the refinement
    0.0533    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7327   -0.0581   -0.7289   -0.0565    0.0041    1
    2    1    1   -1   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3   -1   -3    2   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4    2    1   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0023    1
    5    1    2   -1    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6    0   -3    1   -0.1051    0.1175   -0.1046    0.1173    0.0005    1
    7    2    3   -1    0.1199   -0.5972    0.1201   -0.5972    0.0002    1
    8    1    4   -1    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9    1   -3    0   -0.1940    0.0488   -0.1940    0.0483    0.0004    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3    0    0.5331   -0.6144    0.5314   -0.6143    0.0016    1
   12    2   -3   -1   -0.1824   -0.0378   -0.1815   -0.0378    0.0009    1
   13   -1    4    1    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14    0    5    1    0.5297   -0.1509    0.5323   -0.1459    0.0056    1
   15    2   -1   -1   -0.3377   -0.2381   -0.3358   -0.2354    0.0033    1
   16   -1    2    1    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17    0    3    1    0.7289   -0.0833    0.7260   -0.0804    0.0041    1
   18    1    4    1    1.0551   -0.5162    1.0655   -0.4953    0.0233    1
   19   -1    1    1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20   -1    3    2    0.4437    0.1639    0.4436    0.1639    0.0001    1
   21    1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1    2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -1    2    0.0342    0.2685    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    1    1   -1   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1   -3    2   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4    2    1   -1   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    1    2   -1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6    0   -3    1   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    2    3   -1    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    1    4   -1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9    1   -3    0   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    1    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    1    3    0    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12    2   -3   -1   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -1    4    1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    0    5    1    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15    2   -1   -1   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16   -1    2    1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17    0    3    1    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18    1    4    1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19   -1    1    1    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -1    3    2    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    1    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -1    1    2    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -1   -1    2    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.42                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8653    1.4015    0.8727   90.9643  109.0479   90.8611      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8629    1.4113    0.8684   90.0000  108.9918   90.0000      0.0000         0.9936    1.6252
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0125    0.0361    0.0157    0.0000    2.4088    0.0000      0.0000         0.0198    0.0336
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2021    0.7879   -0.9132)
 a2 = (    0.6008   -0.3401   -0.1812)
 a3 = (   -0.5137   -0.4265   -1.0122)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1806    0.7997   -0.9111) (    0.0234    0.0162    0.0185)
 a2 = (    0.5973   -0.3373   -0.1777) (    0.0160    0.0102    0.0040)
 a3 = (   -0.5374   -0.4204   -1.0087) (    0.0136    0.0231    0.0229)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -108.6398  128.3264  -41.2668    0.3712    1.4853    0.5951
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0044      0.0024    0.0023    0.0431

# Number of computed bands
            163            155
# Figure of merit at the beginning and the end of the refinement
        13.6745        36.9651
# Chi-squares at the beginning and the end of the refinement
    0.5795    0.0185
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2    1   -1   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -2    3    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -1   -2   -0.1881   -0.5927   -0.1976   -0.5890    0.0102    1
    5    1   -2   -1    0.0586   -0.2286    0.0566   -0.2258    0.0034    1
    6   -1    3    0   -0.1014    0.1146   -0.1046    0.1173    0.0042    1
    7    1   -3   -2    0.1280   -0.5943    0.1201   -0.5972    0.0083    1
    8    1   -4   -1    0.1467   -0.2239    0.1441   -0.2219    0.0032    1
    9    0    3   -1   -0.1898    0.0487   -0.1940    0.0483    0.0042    1
   10    0   -1    0    0.2284   -0.1293    0.2267   -0.1283    0.0020    1
   11    0   -3   -1    0.5341   -0.5996    0.5314   -0.6143    0.0149    1
   12    1    3   -2   -0.1797   -0.0368   -0.1815   -0.0378    0.0021    1
   13   -1   -4    1    0.2002   -0.0094    0.1981   -0.0091    0.0021    1
   14   -1   -5    0    0.5249   -0.1494    0.5323   -0.1459    0.0082    1
   15    1    1   -2   -0.3376   -0.2399   -0.3358   -0.2354    0.0049    1
   16   -1   -2    1    0.1275    0.0355    0.1256    0.0356    0.0019    1
   17   -1   -3    0    0.7171   -0.0832    0.7260   -0.0804    0.0094    1
   18   -1   -4   -1    1.0316   -0.4928    1.0655   -0.4953    0.0340    1
   19   -1   -1    1    0.0433    0.0288    0.0407    0.0272    0.0030    1
   20   -2   -3    1    0.4416    0.1594    0.4436    0.1639    0.0049    1
   21    1    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2   -1    1    0.2982    0.3264    0.2970    0.3320    0.0058    1
   23   -2    1    1    0.0359    0.2653    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7314   -0.0541   -0.7289   -0.0565    0.0035    1
    2    1   -1   -1   -0.0135   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -2    3    1   -0.0250    0.0850   -0.0241    0.0824    0.0027    1
    4    1   -1   -2   -0.1951   -0.5876   -0.1976   -0.5890    0.0029    1
    5    1   -2   -1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1    3    0   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    1   -3   -2    0.1208   -0.5969    0.1201   -0.5972    0.0008    1
    8    1   -4   -1    0.1447   -0.2226    0.1441   -0.2219    0.0008    1
    9    0    3   -1   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0   -1    0    0.2268   -0.1284    0.2267   -0.1283    0.0001    1
   11    0   -3   -1    0.5361   -0.6124    0.5314   -0.6143    0.0050    1
   12    1    3   -2   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -1   -4    1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -1   -5    0    0.5294   -0.1487    0.5323   -0.1459    0.0040    1
   15    1    1   -2   -0.3366   -0.2374   -0.3358   -0.2354    0.0022    1
   16   -1   -2    1    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1   -3    0    0.7272   -0.0787    0.7260   -0.0804    0.0020    1
   18   -1   -4   -1    1.0591   -0.5058    1.0655   -0.4953    0.0123    1
   19   -1   -1    1    0.0423    0.0277    0.0407    0.0272    0.0017    1
   20   -2   -3    1    0.4410    0.1646    0.4436    0.1639    0.0027    1
   21    1    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -2   -1    1    0.2940    0.3299    0.2970    0.3320    0.0037    1
   23   -2    1    1    0.0343    0.2660    0.0342    0.2676    0.0016    1

###            No.43                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9990    0.9992    1.0018   89.8431   90.0044   90.0274      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9983    1.0012    1.0004   90.0000   90.3343   90.0000      0.0000         0.9979    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0149    0.0432    0.0000    1.3508    0.0000      0.0000         0.0431    0.0390
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9549   -0.2708    0.1299)
 a2 = (    0.2368   -0.9455   -0.2269)
 a3 = (    0.1829   -0.1827    0.9642)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9553   -0.2719    0.1297) (    0.0022    0.0057    0.0078)
 a2 = (    0.2375   -0.9430   -0.2275) (    0.0067    0.0136    0.0084)
 a3 = (    0.1784   -0.1880    0.9654) (    0.0183    0.0157    0.0410)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  150.3934   15.1914   44.6260    1.2640    0.5077    1.3411
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            161            167
# Figure of merit at the beginning and the end of the refinement
        34.2913        36.8916
# Chi-squares at the beginning and the end of the refinement
    0.0300    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3    0   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    0    3    1   -0.0256    0.0864   -0.0241    0.0824    0.0042    1
    4   -1   -2    1   -0.1963   -0.5849   -0.1976   -0.5890    0.0043    1
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    2    1   -0.1049    0.1173   -0.1046    0.1173    0.0003    1
    7    0   -3    1    0.1185   -0.5962    0.1201   -0.5972    0.0018    1
    8    1   -3    0    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -2    1    1   -0.1928    0.0485   -0.1940    0.0483    0.0013    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2    1    0.5329   -0.6149    0.5314   -0.6143    0.0016    1
   12   -3    0    1   -0.1808   -0.0374   -0.1815   -0.0378    0.0008    1
   13    3   -1    0    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    3   -2    1    0.5301   -0.1505    0.5323   -0.1459    0.0051    1
   15   -2   -1    1   -0.3359   -0.2361   -0.3358   -0.2354    0.0007    1
   16    1    0    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    2   -1    1    0.7295   -0.0822    0.7260   -0.0804    0.0039    1
   18    1   -1    1    1.0577   -0.5159    1.0655   -0.4953    0.0220    1
   19    3    1    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    3    0    1    0.4437    0.1647    0.4436    0.1639    0.0008    1
   21   -1   -1    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    2    1    1    0.2966    0.3324    0.2970    0.3320    0.0005    1
   23    1    2    1    0.0342    0.2687    0.0342    0.2676    0.0011    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -3    0   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0    3    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -2    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    0   -3    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -3    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -2    1    1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1   -1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -2    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -3    0    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3   -1    0    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    3   -2    1    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2   -1    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1    0    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2   -1    1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    1   -1    1    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    3    1    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    3    0    1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    2    1    1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    1    2    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.46                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9973    1.0007    1.0021   89.9453   90.4955   90.1618      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0004    1.0012    0.9983   90.0000   90.3343   90.0000      0.0000         1.0021    1.0029
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0391    0.0432    0.0000    1.3508    0.0000      0.0000         0.0433    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1736   -0.1863    0.9699)
 a2 = (   -0.2365    0.9441    0.2265)
 a3 = (   -0.9522   -0.2701    0.1275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1784   -0.1880    0.9654) (    0.0176    0.0091    0.0025)
 a2 = (   -0.2375    0.9430    0.2275) (    0.0113    0.0379    0.0061)
 a3 = (   -0.9553   -0.2719    0.1297) (    0.0424    0.0116    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.7266   82.8869  -74.1907    0.3987    1.0296    0.4405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            163            167
# Figure of merit at the beginning and the end of the refinement
        22.0792        36.8916
# Chi-squares at the beginning and the end of the refinement
    0.0724    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2    0    3   -1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1   -3    0   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4    1    2   -1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -2   -1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7    1    3    0    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    0    3    1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1   -1   -2   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    0    1    1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1    2    1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    1    0   -3   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    0    1    3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    1    2    3    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15    1    1   -2   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    0    1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1    1    2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1    1    1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    0   -1    3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    1    0    3    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    0    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -1    2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -2    1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    0    3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -3    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3    0    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    0    3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -1   -2   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    0    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    2    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    1    0   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    0    1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2    3    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    1    2    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    1    1    1    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    0   -1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    0    3    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -1    2    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    1   -2    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.47                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9980    1.0011    1.0009   90.0245   90.5921   90.2806      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0004    1.0012    0.9983   90.0000   89.6657   90.0000      0.0000         1.0021    1.0029
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0391    0.0432    0.0000    1.3508    0.0000      0.0000         0.0433    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1930    0.1785   -0.9670)
 a2 = (    0.2364   -0.9437   -0.2264)
 a3 = (   -0.9531   -0.2703    0.1296)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1784    0.1880   -0.9654) (    0.0176    0.0091    0.0025)
 a2 = (    0.2375   -0.9430   -0.2275) (    0.0113    0.0379    0.0061)
 a3 = (   -0.9553   -0.2719    0.1297) (    0.0424    0.0116    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.2734   82.8869  -74.1907    0.3987    1.0296    0.4405
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            145            167
# Figure of merit at the beginning and the end of the refinement
        20.8895        36.8916
# Chi-squares at the beginning and the end of the refinement
    0.1260    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7260   -0.0582   -0.7289   -0.0565    0.0034    1
    2    0   -3   -1   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3   -1    3    0   -0.0263    0.0877   -0.0241    0.0824    0.0057    1
    4   -1   -2   -1   -0.1988   -0.5843   -0.1976   -0.5890    0.0048    1
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    2   -1   -0.1065    0.1181   -0.1046    0.1173    0.0020    1
    7   -1   -3    0    0.1164   -0.5980    0.1201   -0.5972    0.0038    1
    8    0   -3    1    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1    1   -2   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2    1    0.5322   -0.6210    0.5314   -0.6143    0.0068    1
   12   -1    0   -3   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    0   -1    3    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14   -1   -2    3    0.5326   -0.1524    0.5323   -0.1459    0.0064    1
   15   -1   -1   -2   -0.3362   -0.2357   -0.3358   -0.2354    0.0006    1
   16    0    0    1    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17   -1   -1    2    0.7354   -0.0847    0.7260   -0.0804    0.0103    1
   18   -1   -1    1    1.0650   -0.5290    1.0655   -0.4953    0.0337    1
   19    0    1    3    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20   -1    0    3    0.4470    0.1659    0.4436    0.1639    0.0040    1
   21    0   -1   -1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22   -1    1    2    0.2985    0.3361    0.2970    0.3320    0.0044    1
   23   -1    2    1    0.0334    0.2714    0.0342    0.2676    0.0039    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    0   -3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    3    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -3    0    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    0   -3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    1   -2   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    0   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -2    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -1    0   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    0   -1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -2    3    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -1    2    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -1   -1    1    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    0    1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    0    3    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    0   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    1    2    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -1    2    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.50                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9990    0.9976    1.0034   90.1487   90.0410   90.0532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9983    1.0012    1.0004   90.0000   89.6657   90.0000      0.0000         0.9979    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0149    0.0432    0.0000    1.3508    0.0000      0.0000         0.0431    0.0390
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9551    0.2709   -0.1279)
 a2 = (   -0.2372    0.9470    0.2272)
 a3 = (    0.1815   -0.1828    0.9628)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9553    0.2719   -0.1297) (    0.0022    0.0057    0.0078)
 a2 = (   -0.2375    0.9430    0.2275) (    0.0067    0.0136    0.0084)
 a3 = (    0.1784   -0.1880    0.9654) (    0.0183    0.0157    0.0410)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -29.6066   15.1914   44.6260    1.2640    0.5077    1.3411
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            159            168
# Figure of merit at the beginning and the end of the refinement
        31.8190        36.7816
# Chi-squares at the beginning and the end of the refinement
    0.0278    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    1    3    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    0   -3    1   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4    1    2    1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -2    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    0    3    1    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8   -1    3    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    2   -1    1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10   -1    1    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -1    2    1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    3    0    1   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -3    1    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -3    2    1    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15    2    1    1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16   -1    0    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -2    1    1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18   -1    1    1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19   -3   -1    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20   -3    0    1    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21    1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2   -1    1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23   -1   -2    1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3    0   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -3    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    2    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    0    3    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    3    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    2   -1    1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    2    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    3    0    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    1    0    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    2    1    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    2    1    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -1    0    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -2    1    1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -1    1    1    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19   -3   -1    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -3    0    1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -2   -1    1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -1   -2    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.51                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9997    1.0004    0.9999   89.8894   90.0282   90.4217      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9965    1.0027    1.0008   90.0000   89.9708   90.0000      0.0000         0.9958    1.0020
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0402    0.0141    0.0000    0.7813    0.0000      0.0000         0.0141    0.0378
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9542    0.2707   -0.1298)
 a2 = (   -0.1764    0.1857   -0.9663)
 a3 = (   -0.2367    0.9448    0.2267)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9573    0.2720   -0.1286) (    0.0024    0.0081    0.0056)
 a2 = (   -0.1821    0.1858   -0.9627) (    0.0125    0.0120    0.0371)
 a3 = (   -0.2382    0.9435    0.2271) (    0.0095    0.0134    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -172.4406   76.8651 -165.8633    0.3334    0.3830    0.4847
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            169            171
# Figure of merit at the beginning and the end of the refinement
        32.1012        36.4737
# Chi-squares at the beginning and the end of the refinement
    0.0449    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7358   -0.0553   -0.7289   -0.0565    0.0070    1
    2    1    0    3   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    0   -1   -3   -0.0256    0.0872   -0.0241    0.0824    0.0051    1
    4    1   -1    2   -0.1957   -0.5881   -0.1976   -0.5890    0.0021    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1   -2   -0.1054    0.1186   -0.1046    0.1173    0.0015    1
    7    0   -1    3    0.1203   -0.5973    0.1201   -0.5972    0.0003    1
    8   -1    0    3    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9    2   -1   -1   -0.1943    0.0493   -0.1940    0.0483    0.0010    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1    2    0.5356   -0.6136    0.5314   -0.6143    0.0042    1
   12    3   -1    0   -0.1821   -0.0375   -0.1815   -0.0378    0.0006    1
   13   -3    0    1    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14   -3   -1    2    0.5303   -0.1497    0.5323   -0.1459    0.0043    1
   15    2   -1    1   -0.3378   -0.2377   -0.3358   -0.2354    0.0031    1
   16   -1    0    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17   -2   -1    1    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -1   -1    1    1.0584   -0.5097    1.0655   -0.4953    0.0161    1
   19   -3    0   -1    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20   -3   -1    0    0.4435    0.1647    0.4436    0.1639    0.0009    1
   21    1    0    1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22   -2   -1   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -1   -2    0.0350    0.2694    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    1    0    3   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    0   -1   -3   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -1    2   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    0    0    1    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    1   -1   -2   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -1    3    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8   -1    0    3    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    2   -1   -1   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10   -1    0    1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -1    2    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    3   -1    0   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -3    0    1    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14   -3   -1    2    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    2   -1    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16   -1    0    0    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17   -2   -1    1    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18   -1   -1    1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -3    0   -1    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20   -3   -1    0    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    1    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -2   -1   -1    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -1   -1   -2    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.54                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0007    0.9973    1.0021   89.5045   90.0547   90.1618      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0008    1.0027    0.9965   90.0000   89.9708   90.0000      0.0000         1.0042    1.0062
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0378    0.0141    0.0000    0.7813    0.0000      0.0000         0.0142    0.0404
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2365    0.9441    0.2265)
 a2 = (    0.1736   -0.1863    0.9699)
 a3 = (    0.9522    0.2701   -0.1275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2382    0.9435    0.2271) (    0.0090    0.0028    0.0065)
 a2 = (    0.1821   -0.1858    0.9627) (    0.0120    0.0115    0.0348)
 a3 = (    0.9573    0.2720   -0.1286) (    0.0143    0.0081    0.0058)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2497   97.3539  105.8927    0.3910    0.3095    0.5497
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004   -0.0005      0.0023    0.0022    0.0388

# Number of computed bands
            163            171
# Figure of merit at the beginning and the end of the refinement
        22.0792        36.4737
# Chi-squares at the beginning and the end of the refinement
    0.1878    0.0189
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2    3    0    1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3   -3    1    0   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4    2    1    1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    1    1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7    3    1    0    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    3    0   -1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9   -1    1    2   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    1    0   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    2    1   -1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    0    1    3   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    1    0   -3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    2    1   -3    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15    1    1    2   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    0   -1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1    1   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1    1   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19   -1    0   -3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    0    1   -3    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    1    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    1   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -2    1   -1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7280   -0.0555   -0.7289   -0.0565    0.0014    1
    2    3    0    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3   -3    1    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    2    1    1   -0.1969   -0.5874   -0.1976   -0.5890    0.0017    1
    5    1    0    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6   -2    1    1   -0.1045    0.1166   -0.1046    0.1173    0.0007    1
    7    3    1    0    0.1207   -0.5982    0.1201   -0.5972    0.0012    1
    8    3    0   -1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9   -1    1    2   -0.1925    0.0480   -0.1940    0.0483    0.0015    1
   10    1    0   -1    0.2267   -0.1275    0.2267   -0.1283    0.0009    1
   11    2    1   -1    0.5367   -0.6128    0.5314   -0.6143    0.0055    1
   12    0    1    3   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    1    0   -3    0.1972   -0.0084    0.1981   -0.0091    0.0012    1
   14    2    1   -3    0.5288   -0.1481    0.5323   -0.1459    0.0041    1
   15    1    1    2   -0.3365   -0.2363   -0.3358   -0.2354    0.0012    1
   16    0    0   -1    0.1247    0.0350    0.1256    0.0356    0.0011    1
   17    1    1   -2    0.7265   -0.0791    0.7260   -0.0804    0.0014    1
   18    1    1   -1    1.0590   -0.5077    1.0655   -0.4953    0.0140    1
   19   -1    0   -3    0.0420    0.0274    0.0407    0.0272    0.0013    1
   20    0    1   -3    0.4408    0.1637    0.4436    0.1639    0.0027    1
   21    1    0    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    1   -2    0.2953    0.3298    0.2970    0.3320    0.0028    1
   23   -2    1   -1    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.57                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1121    0.7842    1.1473   89.8670   91.9162   90.0864      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1238    0.7929    1.1223   90.0000   90.3825   90.0000      0.0000         1.0013    0.7064
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0003    0.0227    0.0313    0.0000    2.6506    0.0000      0.0000         0.0281    0.0167
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5132   -0.2902    0.6796)
 a2 = (   -0.3018    1.2048    0.2891)
 a3 = (   -0.7019   -0.0544   -0.5147)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4875   -0.2875    0.6867) (    0.0196    0.0048    0.0129)
 a2 = (   -0.2997    1.1913    0.2860) (    0.0118    0.0354    0.0071)
 a3 = (   -0.7179   -0.0546   -0.5249) (    0.0285    0.0121    0.0128)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.6231  126.4579  -85.7857    0.3760    1.4808    0.5221
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003   -0.0028      0.0024    0.0024    0.0453

# Number of computed bands
            400            182
# Figure of merit at the beginning and the end of the refinement
         5.3861        36.0547
# Chi-squares at the beginning and the end of the refinement
    0.2258    0.0104
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    3   -1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    1   -3   -1   -0.0223    0.0786   -0.0241    0.0824    0.0042    1
    4    0    1   -1   -0.1842   -0.5798   -0.1976   -0.5890    0.0162    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1   -1   -0.0971    0.1113   -0.1046    0.1173    0.0096    1
    7    1    3   -1    0.1239   -0.5839    0.1201   -0.5972    0.0138    1
    8    1    3    1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1   -1   -3   -0.1848    0.0475   -0.1940    0.0483    0.0093    1
   10    1    1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    1    1    0    0.5261   -0.5904    0.5314   -0.6143    0.0245    1
   12   -1    0   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    3    1    3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    2    1    1    0.5176   -0.1453    0.5323   -0.1459    0.0147    1
   15   -1    1   -3   -0.3292   -0.2356   -0.3358   -0.2354    0.0066    1
   16    1    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3    1    1    0.7044   -0.0775    0.7260   -0.0804    0.0218    1
   18    2    1    0    1.0164   -0.4778    1.0655   -0.4953    0.0521    0
   19    3   -1    3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    2    0    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    3   -1    1    0.2886    0.3169    0.2970    0.3320    0.0172    1
   23    1   -1    0    0.0362    0.2561    0.0342    0.2676    0.0118    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7285   -0.0557   -0.7289   -0.0565    0.0009    1
    2   -1    3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0018    1
    3    1   -3   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0    1   -1   -0.1965   -0.5868   -0.1976   -0.5890    0.0024    1
    5    0    1    0    0.0574   -0.2267    0.0566   -0.2258    0.0012    1
    6    0   -1   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    1    3   -1    0.1199   -0.5975    0.1201   -0.5972    0.0004    1
    8    1    3    1    0.1451   -0.2225    0.1441   -0.2219    0.0012    1
    9   -1   -1   -3   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    1    1    1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11    1    1    0    0.5349   -0.6140    0.5314   -0.6143    0.0035    1
   12   -1    0   -2   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13    3    1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    2    1    1    0.5293   -0.1494    0.5323   -0.1459    0.0046    1
   15   -1    1   -3   -0.3365   -0.2366   -0.3358   -0.2354    0.0014    1
   16    1    0    1    0.1250    0.0351    0.1256    0.0356    0.0009    1
   17    3    1    1    0.7278   -0.0807    0.7260   -0.0804    0.0018    1
   18    2    1    0    1.0584   -0.5118    1.0655   -0.4953    0.0180    1
   19    3   -1    3    0.0421    0.0276    0.0407    0.0272    0.0014    1
   20    2    0    1    0.4419    0.1639    0.4436    0.1639    0.0017    1
   21   -1    1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    3   -1    1    0.2955    0.3305    0.2970    0.3320    0.0021    1
   23    1   -1    0    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.59                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7848    1.1468    1.1116   88.0837   90.0993   90.1433      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7943    1.1220    1.1220   90.0000   90.0620   90.0000      0.0000         0.7080    1.0000
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0230    0.0210    0.0000    1.0999    0.0000      0.0000         0.0133    0.0262
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3015   -1.2037   -0.2892)
 a2 = (   -0.7022   -0.0544   -0.5149)
 a3 = (    0.5134    0.2904   -0.6799)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2995   -1.1887   -0.2868) (    0.0104    0.0037    0.0073)
 a2 = (   -0.7167   -0.0534   -0.5271) (    0.0180    0.0070    0.0084)
 a3 = (    0.4858    0.2878   -0.6896) (    0.0147    0.0114    0.0121)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -158.9336  140.6685  120.7330    0.5343    0.5377    0.8037
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0004    0.0038      0.0024    0.0023    0.0136

# Number of computed bands
            400            181
# Figure of merit at the beginning and the end of the refinement
         5.4833        35.8524
# Chi-squares at the beginning and the end of the refinement
    0.4211    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1    1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    3   -1   -1   -0.0224    0.0787   -0.0241    0.0824    0.0041    1
    4   -1   -1    0   -0.1848   -0.5803   -0.1976   -0.5890    0.0155    1
    5   -1    0    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    1   -1    0   -0.0973    0.1114   -0.1046    0.1173    0.0094    1
    7   -3   -1   -1    0.1240   -0.5848    0.1201   -0.5972    0.0130    1
    8   -3    1   -1    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9    1   -3    1   -0.1849    0.0475   -0.1940    0.0483    0.0092    1
   10   -1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0   -1    0.5271   -0.5907    0.5314   -0.6143    0.0239    1
   12    0   -2    1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1    3   -3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1    1   -2    0.5179   -0.1450    0.5323   -0.1459    0.0144    1
   15   -1   -3    1   -0.3294   -0.2355   -0.3358   -0.2354    0.0064    1
   16    0    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1   -3    0.7046   -0.0770    0.7260   -0.0804    0.0217    1
   18   -1    0   -2    1.0176   -0.4772    1.0655   -0.4953    0.0512    0
   19    1    3   -3    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    0    1   -2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1    1   -3    0.2889    0.3169    0.2970    0.3320    0.0171    1
   23    1    0   -1    0.0364    0.2563    0.0342    0.2676    0.0115    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2   -3   -1    1   -0.0134   -0.1773   -0.0133   -0.1793    0.0020    1
    3    3   -1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0032    1
    4   -1   -1    0   -0.1966   -0.5871   -0.1976   -0.5890    0.0021    1
    5   -1    0    0    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6    1   -1    0   -0.1044    0.1167   -0.1046    0.1173    0.0007    1
    7   -3   -1   -1    0.1201   -0.5975    0.1201   -0.5972    0.0004    1
    8   -3    1   -1    0.1449   -0.2223    0.1441   -0.2219    0.0009    1
    9    1   -3    1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    1   -1    0.2265   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1    0   -1    0.5352   -0.6140    0.5314   -0.6143    0.0038    1
   12    0   -2    1   -0.1812   -0.0377   -0.1815   -0.0378    0.0004    1
   13   -1    3   -3    0.1975   -0.0087    0.1981   -0.0091    0.0007    1
   14   -1    1   -2    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15   -1   -3    1   -0.3367   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    1   -1    0.1250    0.0349    0.1256    0.0356    0.0009    1
   17   -1    1   -3    0.7281   -0.0804    0.7260   -0.0804    0.0021    1
   18   -1    0   -2    1.0597   -0.5114    1.0655   -0.4953    0.0171    1
   19    1    3   -3    0.0422    0.0275    0.0407    0.0272    0.0015    1
   20    0    1   -2    0.4420    0.1641    0.4436    0.1639    0.0016    1
   21   -1   -1    1   -0.0350   -0.0604   -0.0357   -0.0605    0.0007    1
   22    1    1   -3    0.2953    0.3308    0.2970    0.3320    0.0020    1
   23    1    0   -1    0.0342    0.2671    0.0342    0.2676    0.0005    1

###            No.62                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7934    1.1210    1.1243   89.9799   90.0305   90.0123      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1250    1.1180   90.0000   90.0173   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0224    0.0178    0.0000    1.0420    0.0000      0.0000         0.0113    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2997   -1.1910   -0.2832)
 a2 = (   -0.7180   -0.0557   -0.5265)
 a3 = (    0.4839    0.2853   -0.6896)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2992   -1.1874   -0.2869) (    0.0102    0.0036    0.0071)
 a2 = (   -0.7138   -0.0525   -0.5272) (    0.0169    0.0068    0.0083)
 a3 = (    0.4888    0.2898   -0.6908) (    0.0121    0.0103    0.0114)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -158.9581  140.5497  120.6864    0.5317    0.4403    0.7964
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            179            181
# Figure of merit at the beginning and the end of the refinement
        23.9063        35.4560
# Chi-squares at the beginning and the end of the refinement
    0.0527    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1    1   -0.0135   -0.1744   -0.0133   -0.1793    0.0049    1
    3    3   -1   -1   -0.0264    0.0885   -0.0241    0.0824    0.0065    1
    4   -1   -1    0   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5   -1    0    0    0.0563   -0.2237    0.0566   -0.2258    0.0021    1
    6    1   -1    0   -0.1065    0.1188   -0.1046    0.1173    0.0024    1
    7   -3   -1   -1    0.1182   -0.5943    0.1201   -0.5972    0.0034    1
    8   -3    1   -1    0.1432   -0.2203    0.1441   -0.2219    0.0019    1
    9    1   -3    1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10   -1    1   -1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11   -1    0   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0   -2    1   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13   -1    3   -3    0.1974   -0.0085    0.1981   -0.0091    0.0009    1
   14   -1    1   -2    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15   -1   -3    1   -0.3358   -0.2360   -0.3358   -0.2354    0.0006    1
   16    0    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1   -3    0.7299   -0.0826    0.7260   -0.0804    0.0045    1
   18   -1    0   -2    1.0580   -0.5179    1.0655   -0.4953    0.0239    1
   19    1    3   -3    0.0430    0.0288    0.0407    0.0272    0.0028    1
   20    0    1   -2    0.4445    0.1651    0.4436    0.1639    0.0015    1
   21   -1   -1    1   -0.0343   -0.0582   -0.0357   -0.0605    0.0027    1
   22    1    1   -3    0.2974    0.3343    0.2970    0.3320    0.0023    1
   23    1    0   -1    0.0338    0.2710    0.0342    0.2676    0.0034    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2   -3   -1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3    3   -1   -1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5   -1    0    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1   -1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    1   -3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0   -1    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0   -2    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    1   -2    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15   -1   -3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    1   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -1    1   -3    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18   -1    0   -2    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19    1    3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    1   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    1   -3    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    1    0   -1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.64                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7888    1.1338    1.1183   90.9599   90.0784   90.3677      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1250    1.1180   90.0000   90.0173   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0224    0.0178    0.0000    1.0420    0.0000      0.0000         0.0113    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3088    1.1971    0.2807)
 a2 = (   -0.7100   -0.0550   -0.5206)
 a3 = (   -0.4983   -0.2877    0.6846)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2992    1.1874    0.2869) (    0.0102    0.0036    0.0071)
 a2 = (   -0.7138   -0.0525   -0.5272) (    0.0169    0.0068    0.0083)
 a3 = (   -0.4888   -0.2898    0.6908) (    0.0121    0.0103    0.0114)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  158.9581   39.4503  -59.3136    0.5317    0.4403    0.7964
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            183            181
# Figure of merit at the beginning and the end of the refinement
        10.4780        35.4560
# Chi-squares at the beginning and the end of the refinement
    0.1900    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -1   -1   -0.0123   -0.1715   -0.0133   -0.1793    0.0079    1
    3   -3   -1    1   -0.0260    0.0872   -0.0241    0.0824    0.0051    1
    4    1   -1    0   -0.1860   -0.5804   -0.1976   -0.5890    0.0144    1
    5    1    0    0    0.0567   -0.2199    0.0566   -0.2258    0.0059    1
    6   -1   -1    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    3   -1    1    0.1241   -0.5832    0.1201   -0.5972    0.0145    1
    8    3    1    1    0.1422   -0.2163    0.1441   -0.2219    0.0060    1
    9   -1   -3   -1   -0.1909    0.0484   -0.1940    0.0483    0.0032    1
   10    1    1    1    0.2225   -0.1253    0.2267   -0.1283    0.0051    1
   11    1    0    1    0.5270   -0.5938    0.5314   -0.6143    0.0210    1
   12    0   -2   -1   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13    1    3    3    0.1960   -0.0084    0.1981   -0.0091    0.0022    1
   14    1    1    2    0.5193   -0.1460    0.5323   -0.1459    0.0130    1
   15    1   -3   -1   -0.3315   -0.2358   -0.3358   -0.2354    0.0043    1
   16    0    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1    3    0.7128   -0.0791    0.7260   -0.0804    0.0133    1
   18    1    0    2    1.0302   -0.4906    1.0655   -0.4953    0.0356    1
   19   -1    3    3    0.0439    0.0295    0.0407    0.0272    0.0039    1
   20    0    1    2    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21    1   -1   -1   -0.0330   -0.0565   -0.0357   -0.0605    0.0048    1
   22   -1    1    3    0.2943    0.3283    0.2970    0.3320    0.0046    1
   23   -1    0    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2    3   -1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -3   -1    1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    1   -1    0   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5    1    0    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3   -1    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1    1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1   -3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    0    1    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0   -2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    1    2    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15    1   -3   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    1    1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    1    1    3    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18    1    0    2    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19   -1    3    3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    1    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    1    3    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23   -1    0    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.67                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8023    1.1346    1.0997   91.8831   91.3494   91.3508      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1250    1.1180   90.0000   89.9827   90.0000      0.0000         0.7112    1.0063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0224    0.0178    0.0000    1.0420    0.0000      0.0000         0.0113    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2558    1.1893    0.2746)
 a2 = (    0.7100    0.0550    0.5206)
 a3 = (    0.5191    0.2936   -0.6874)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2992    1.1874    0.2869) (    0.0102    0.0036    0.0071)
 a2 = (    0.7138    0.0525    0.5272) (    0.0169    0.0068    0.0083)
 a3 = (    0.4888    0.2898   -0.6908) (    0.0121    0.0103    0.0114)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   21.0419  140.5497  120.6864    0.5317    0.4403    0.7964
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            379            181
# Figure of merit at the beginning and the end of the refinement
         5.7111        35.4560
# Chi-squares at the beginning and the end of the refinement
    1.3232    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    4    1    1   -0.0073   -0.1822   -0.0133   -0.1793    0.0066    1
    3   -3    1   -1   -0.0239    0.0949   -0.0241    0.0824    0.0125    1
    4    1    1    0   -0.2059   -0.5639   -0.1976   -0.5890    0.0264    1
    5    1    0    0    0.0475   -0.2207    0.0566   -0.2258    0.0104    1
    6   -1    1    0   -0.1071    0.1258   -0.1046    0.1173    0.0088    1
    7    3    1   -1    0.1026   -0.5925    0.1201   -0.5972    0.0181    1
    8    3   -1   -1    0.1378   -0.2222    0.1441   -0.2219    0.0063    1
    9   -1    3    1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10    1   -1   -1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11    1    0   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0    2    1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -3   -3    0.1963   -0.0071    0.1981   -0.0091    0.0027    1
   14    1   -1   -2    0.5242   -0.1431    0.5323   -0.1459    0.0086    1
   15    1    3    1   -0.3257   -0.2243   -0.3358   -0.2354    0.0150    1
   16    0   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1   -3    0.7126   -0.0716    0.7260   -0.0804    0.0160    1
   18    1    0   -2    1.0478   -0.4875    1.0655   -0.4953    0.0193    1
   19   -1   -3   -3    0.0462    0.0301    0.0407    0.0272    0.0062    1
   20    0   -1   -2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1    1   -0.0317   -0.0500   -0.0357   -0.0605    0.0112    1
   22   -1   -1   -3    0.2977    0.3145    0.2970    0.3320    0.0176    1
   23   -1    0   -1    0.0479    0.2699    0.0342    0.2676    0.0139    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2    3    1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -3    1   -1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    1    1    0   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5    1    0    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3    1   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    3   -1   -1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    0   -1    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0    2    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -1   -2    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15    1    3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -1   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    1   -1   -3    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18    1    0   -2    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19   -1   -3   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0   -1   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -1   -3    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23   -1    0   -1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.78                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7920    1.1232    1.1243   89.7556   90.1306   90.0864      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1179    1.1251   90.0000   90.0332   90.0000      0.0000         0.7066    0.9935
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0175    0.0215    0.0000    0.8480    0.0000      0.0000         0.0135    0.0223
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2988    1.1930    0.2863)
 a2 = (   -0.4872   -0.2858    0.6882)
 a3 = (    0.7159    0.0555    0.5250)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2987    1.1876    0.2870) (    0.0107    0.0025    0.0061)
 a2 = (   -0.4889   -0.2899    0.6908) (    0.0119    0.0059    0.0099)
 a3 = (    0.7136    0.0527    0.5272) (    0.0169    0.0088    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   16.4615   53.6269   94.1813    0.3625    0.4381    0.6585
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            181            181
# Figure of merit at the beginning and the end of the refinement
        32.7547        35.4074
# Chi-squares at the beginning and the end of the refinement
    0.0370    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -1    1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -3    1    1   -0.0253    0.0856   -0.0241    0.0824    0.0034    1
    4    1    0    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    3    1    1    0.1187   -0.5951    0.1201   -0.5972    0.0025    1
    8    3    1   -1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1   -1    3   -0.1924    0.0486   -0.1940    0.0483    0.0017    1
   10    1    1   -1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    1    1    0    0.5316   -0.6135    0.5314   -0.6143    0.0007    1
   12    0   -1    2   -0.1808   -0.0374   -0.1815   -0.0378    0.0009    1
   13    1    3   -3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    1    2   -1    0.5291   -0.1505    0.5323   -0.1459    0.0056    1
   15    1   -1    3   -0.3356   -0.2364   -0.3358   -0.2354    0.0010    1
   16    0    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3   -1    0.7280   -0.0824    0.7260   -0.0804    0.0028    1
   18    1    2    0    1.0546   -0.5147    1.0655   -0.4953    0.0223    1
   19   -1    3   -3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    0    2   -1    0.4428    0.1643    0.4436    0.1639    0.0009    1
   21    1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    3   -1    0.2957    0.3314    0.2970    0.3320    0.0014    1
   23   -1    1    0    0.0341    0.2675    0.0342    0.2676    0.0002    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    3   -1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3    1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    0    1   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    0    1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    3    1    1    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8    3    1   -1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -1   -1    3   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1    0    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0   -1    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    1   -1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    1    3   -1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    1    2    0    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -1    3   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    2   -1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    1   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    3   -1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23   -1    1    0    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.79                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7994    1.1018    1.1365   91.8923   90.9654   91.3566      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1179    1.1251   90.0000   89.9668   90.0000      0.0000         0.7066    0.9935
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0175    0.0215    0.0000    0.8480    0.0000      0.0000         0.0135    0.0223
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3312   -1.1715   -0.2904)
 a2 = (    0.5182    0.2930   -0.6861)
 a3 = (    0.7087    0.0549    0.5197)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2987   -1.1876   -0.2870) (    0.0107    0.0025    0.0061)
 a2 = (    0.4889    0.2899   -0.6908) (    0.0119    0.0059    0.0099)
 a3 = (    0.7136    0.0527    0.5272) (    0.0169    0.0088    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -163.5385   53.6269   94.1813    0.3625    0.4381    0.6585
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            400            181
# Figure of merit at the beginning and the end of the refinement
         4.1122        35.4074
# Chi-squares at the beginning and the end of the refinement
    1.3745    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    1   -0.0110   -0.1818   -0.0133   -0.1793    0.0034    1
    3    3   -1    1   -0.0256    0.0811   -0.0241    0.0824    0.0020    1
    4   -1    0    1   -0.1857   -0.6034   -0.1976   -0.5890    0.0187    1
    5   -1    0    0    0.0649   -0.2295    0.0566   -0.2258    0.0092    1
    6    1    0    1   -0.1024    0.1100   -0.1046    0.1173    0.0077    1
    7   -3   -1    1    0.1466   -0.5980    0.1201   -0.5972    0.0265    0
    8   -3   -1   -1    0.1541   -0.2197    0.1441   -0.2219    0.0102    1
    9    1    1    3   -0.1851    0.0444   -0.1940    0.0483    0.0098    1
   10   -1   -1   -1    0.2292   -0.1212    0.2267   -0.1283    0.0076    1
   11   -1   -1    0    0.5555   -0.5745    0.5314   -0.6143    0.0465    0
   12    0    1    2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1   -3   -3    0.1967   -0.0063    0.1981   -0.0091    0.0032    1
   14   -1   -2   -1    0.5168   -0.1320    0.5323   -0.1459    0.0208    1
   15   -1    1    3   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16    0   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3   -1    0.6992   -0.0640    0.7260   -0.0804    0.0314    0
   18   -1   -2    0    1.0275   -0.4399    1.0655   -0.4953    0.0671    0
   19    1   -3   -3    0.0434    0.0287    0.0407    0.0272    0.0031    1
   20    0   -2   -1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3   -1    0.2953    0.3219    0.2970    0.3320    0.0103    1
   23    1   -1    0    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2   -3    1    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3   -1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    0    1   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5   -1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    0    1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -3   -1    1    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -3   -1   -1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1    1    3   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -1    0    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0    1    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -1   -1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17   -1   -3   -1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18   -1   -2    0    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19    1   -3   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0   -2   -1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21   -1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1   -3   -1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    1   -1    0    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.88                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7846    1.1118    1.1473   91.9162   91.3508   89.9695      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7951    1.1179    1.1251   90.0000   90.0332   90.0000      0.0000         0.7066    0.9935
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0175    0.0215    0.0000    0.8480    0.0000      0.0000         0.0135    0.0223
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2791   -1.2063   -0.3040)
 a2 = (   -0.5133   -0.2903    0.6798)
 a3 = (   -0.7021   -0.0544   -0.5148)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2987   -1.1876   -0.2870) (    0.0107    0.0025    0.0061)
 a2 = (   -0.4889   -0.2899    0.6908) (    0.0119    0.0059    0.0099)
 a3 = (   -0.7136   -0.0527   -0.5272) (    0.0169    0.0088    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.4615  126.3731  -85.8187    0.3625    0.4381    0.6585
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            400            181
# Figure of merit at the beginning and the end of the refinement
         5.2367        35.4074
# Chi-squares at the beginning and the end of the refinement
    0.8510    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1   -1   -0.0178   -0.1868   -0.0133   -0.1793    0.0088    1
    3    3    1   -1   -0.0182    0.0685   -0.0241    0.0824    0.0151    1
    4   -1    0   -1   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5   -1    0    0    0.0553   -0.2392    0.0566   -0.2258    0.0135    1
    6    1    0   -1   -0.0904    0.1061   -0.1046    0.1173    0.0181    0
    7   -3    1   -1    0.1151   -0.6006    0.1201   -0.5972    0.0061    1
    8   -3    1    1    0.1480   -0.2361    0.1441   -0.2219    0.0147    1
    9    1   -1   -3   -0.1812    0.0471   -0.1940    0.0483    0.0129    1
   10   -1    1    1    0.2355   -0.1358    0.2267   -0.1283    0.0115    1
   11   -1    1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0   -1   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1    3    3    0.2031   -0.0089    0.1981   -0.0091    0.0050    1
   14   -1    2    1    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15   -1   -1   -3   -0.3322   -0.2356   -0.3358   -0.2354    0.0035    1
   16    0    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    3    1    0.7163   -0.0798    0.7260   -0.0804    0.0097    1
   18   -1    2    0    1.0361   -0.4964    1.0655   -0.4953    0.0294    1
   19    1    3    3    0.0393    0.0261    0.0407    0.0272    0.0018    1
   20    0    2    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1   -1   -1   -0.0397   -0.0657   -0.0357   -0.0605    0.0065    1
   22    1    3    1    0.2853    0.3098    0.2970    0.3320    0.0251    0
   23    1    1    0    0.0384    0.2451    0.0342    0.2676    0.0230    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2   -3   -1   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    3    1   -1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    0   -1   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5   -1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -3    1    1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1   -1   -3   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    0    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0   -1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    2    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    1    1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17   -1    3    1    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18   -1    2    0    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19    1    3    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    2    1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21   -1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    3    1    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    1    1    0    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.96                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1210    0.7934    1.1243   89.9695   90.0201   90.0123      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1250    0.7947    1.1185   90.0000   90.1205   90.0000      0.0000         1.0059    0.7105
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0172    0.0264    0.0000    2.4747    0.0000      0.0000         0.0237    0.0177
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7180   -0.0557   -0.5265)
 a2 = (    0.2997   -1.1910   -0.2832)
 a3 = (   -0.4839   -0.2853    0.6896)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7142   -0.0528   -0.5265) (    0.0102    0.0106    0.0147)
 a2 = (    0.2992   -1.1882   -0.2867) (    0.0096    0.0266    0.0084)
 a3 = (   -0.4894   -0.2897    0.6898) (    0.0204    0.0089    0.0208)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -111.0397   39.3904  -59.3078    0.4385    1.2771    0.6137
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            179            182
# Figure of merit at the beginning and the end of the refinement
        23.9063        35.3386
# Chi-squares at the beginning and the end of the refinement
    0.0499    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -3   -1   -0.0135   -0.1744   -0.0133   -0.1793    0.0049    1
    3   -1    3    1   -0.0264    0.0885   -0.0241    0.0824    0.0065    1
    4   -1   -1    0   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5    0   -1    0    0.0563   -0.2237    0.0566   -0.2258    0.0021    1
    6   -1    1    0   -0.1065    0.1188   -0.1046    0.1173    0.0024    1
    7   -1   -3    1    0.1182   -0.5943    0.1201   -0.5972    0.0034    1
    8    1   -3    1    0.1432   -0.2203    0.1441   -0.2219    0.0019    1
    9   -3    1   -1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10    1   -1    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11    0   -1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -2    0   -1   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13    3   -1    3    0.1974   -0.0085    0.1981   -0.0091    0.0009    1
   14    1   -1    2    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15   -3   -1   -1   -0.3358   -0.2360   -0.3358   -0.2354    0.0006    1
   16    1    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    3    0.7299   -0.0826    0.7260   -0.0804    0.0045    1
   18    0   -1    2    1.0580   -0.5179    1.0655   -0.4953    0.0239    1
   19    3    1    3    0.0430    0.0288    0.0407    0.0272    0.0028    1
   20    1    0    2    0.4445    0.1651    0.4436    0.1639    0.0015    1
   21   -1   -1   -1   -0.0343   -0.0582   -0.0357   -0.0605    0.0027    1
   22    1    1    3    0.2974    0.3343    0.2970    0.3320    0.0023    1
   23    0    1    1    0.0338    0.2710    0.0342    0.2676    0.0034    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    3    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -3    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -3    1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -1    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -2    0   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3   -1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -1    2    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -3   -1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -1    3    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    0   -1    2    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    3    1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    0    2    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    1    3    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    0    1    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.97                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1012    0.7998    1.1360   89.8670   91.9162   90.0864      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1185    0.7947    1.1250   90.0000   90.1205   90.0000      0.0000         0.9942    0.7064
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0198    0.0265    0.0000    2.4747    0.0000      0.0000         0.0234    0.0153
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5183   -0.2931    0.6863)
 a2 = (   -0.2959    1.1812    0.2834)
 a3 = (   -0.7089   -0.0549   -0.5198)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4894   -0.2897    0.6898) (    0.0180    0.0045    0.0118)
 a2 = (   -0.2992    1.1882    0.2867) (    0.0111    0.0306    0.0068)
 a3 = (   -0.7142   -0.0528   -0.5265) (    0.0246    0.0113    0.0117)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.5495  126.4355  -85.8107    0.3474    1.3537    0.5028
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            187            182
# Figure of merit at the beginning and the end of the refinement
         9.0975        35.3386
# Chi-squares at the beginning and the end of the refinement
    0.2926    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    3   -1   -0.0152   -0.1744   -0.0133   -0.1793    0.0053    1
    3    1   -3   -1   -0.0248    0.0870   -0.0241    0.0824    0.0047    1
    4    0    1   -1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1   -1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7    1    3   -1    0.1256   -0.5956    0.1201   -0.5972    0.0057    1
    8    1    3    1    0.1464   -0.2213    0.1441   -0.2219    0.0024    1
    9   -1   -1   -3   -0.1891    0.0465   -0.1940    0.0483    0.0053    1
   10    1    1    1    0.2274   -0.1244    0.2267   -0.1283    0.0040    1
   11    1    1    0    0.5439   -0.5933    0.5314   -0.6143    0.0244    1
   12   -1    0   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    3    1    3    0.1966   -0.0068    0.1981   -0.0091    0.0028    1
   14    2    1    1    0.5202   -0.1376    0.5323   -0.1459    0.0147    1
   15   -1    1   -3   -0.3311   -0.2311   -0.3358   -0.2354    0.0064    1
   16    1    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3    1    1    0.7055   -0.0681    0.7260   -0.0804    0.0239    1
   18    2    1    0    1.0363   -0.4627    1.0655   -0.4953    0.0437    1
   19    3   -1    3    0.0446    0.0293    0.0407    0.0272    0.0044    1
   20    2    0    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1    1   -1   -0.0340   -0.0558   -0.0357   -0.0605    0.0051    1
   22    3   -1    1    0.2960    0.3182    0.2970    0.3320    0.0138    1
   23    1   -1    0    0.0403    0.2672    0.0342    0.2676    0.0062    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -3   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1    0    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -1    0   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3    1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    1    1    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    3    1    1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    2    1    0    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    3   -1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2    0    1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    3   -1    1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    1   -1    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.100                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1097    0.7968    1.1321   90.1256   92.4432   90.1058      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1185    0.7947    1.1250   90.0000   90.1205   90.0000      0.0000         0.9942    0.7064
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0198    0.0265    0.0000    2.4747    0.0000      0.0000         0.0234    0.0153
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5203    0.2943   -0.6755)
 a2 = (   -0.2970    1.1858    0.2845)
 a3 = (    0.7116    0.0552    0.5218)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4894    0.2897   -0.6898) (    0.0180    0.0045    0.0118)
 a2 = (   -0.2992    1.1882    0.2867) (    0.0111    0.0306    0.0068)
 a3 = (    0.7142    0.0528    0.5265) (    0.0246    0.0113    0.0117)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -73.5495   53.5645   94.1893    0.3474    1.3537    0.5028
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            400            182
# Figure of merit at the beginning and the end of the refinement
         4.3425        35.3386
# Chi-squares at the beginning and the end of the refinement
    0.2207    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    3    1   -0.0155   -0.1778   -0.0133   -0.1793    0.0027    1
    3   -1   -3    1   -0.0239    0.0837   -0.0241    0.0824    0.0013    1
    4    0    1    1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -1    3    1    0.1248   -0.5917    0.1201   -0.5972    0.0072    1
    8   -1    3   -1    0.1445   -0.2184    0.1441   -0.2219    0.0036    1
    9    1   -1    3   -0.1934    0.0476   -0.1940    0.0483    0.0010    1
   10   -1    1   -1    0.2206   -0.1207    0.2267   -0.1283    0.0098    1
   11   -1    1    0    0.5364   -0.5851    0.5314   -0.6143    0.0296    1
   12    1    0    2   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3    1   -3    0.1865   -0.0064    0.1981   -0.0091    0.0119    1
   14   -2    1   -1    0.5079   -0.1344    0.5323   -0.1459    0.0270    0
   15    1    1    3   -0.3350   -0.2337   -0.3358   -0.2354    0.0019    1
   16   -1    0   -1    0.1155    0.0328    0.1256    0.0356    0.0105    1
   17   -3    1   -1    0.6899   -0.0665    0.7260   -0.0804    0.0387    0
   18   -2    1    0    1.0194   -0.4552    1.0655   -0.4953    0.0610    0
   19   -3   -1   -3    0.0363    0.0238    0.0407    0.0272    0.0056    1
   20   -2    0   -1    0.4170    0.1532    0.4436    0.1639    0.0287    0
   21    1    1    1   -0.0379   -0.0622   -0.0357   -0.0605    0.0027    1
   22   -3   -1   -1    0.2865    0.3080    0.2970    0.3320    0.0262    0
   23   -1   -1    0    0.0390    0.2583    0.0342    0.2676    0.0105    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -3    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    3    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    3   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -1    3   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    0    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    1    0    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    1   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    1   -1    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1    3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -1    0   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -3    1   -1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -2    1    0    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19   -3   -1   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    0   -1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -3   -1   -1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -1   -1    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.110                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1192    0.7934    1.1262   90.0627   90.0907   90.2110      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1250    0.7947    1.1185   90.0000   89.8795   90.0000      0.0000         1.0059    0.7105
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0172    0.0264    0.0000    2.4747    0.0000      0.0000         0.0237    0.0177
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7165    0.0555    0.5310)
 a2 = (   -0.2983    1.1908    0.2857)
 a3 = (   -0.4851   -0.2853    0.6868)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7142    0.0528    0.5265) (    0.0102    0.0106    0.0147)
 a2 = (   -0.2992    1.1882    0.2867) (    0.0096    0.0266    0.0084)
 a3 = (   -0.4894   -0.2897    0.6898) (    0.0204    0.0089    0.0208)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   68.9603   39.3904  -59.3078    0.4385    1.2771    0.6137
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            179            183
# Figure of merit at the beginning and the end of the refinement
        18.0802        35.2419
# Chi-squares at the beginning and the end of the refinement
    0.0813    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7367   -0.0571   -0.7289   -0.0565    0.0078    1
    2    1    3   -1   -0.0140   -0.1781   -0.0133   -0.1793    0.0014    1
    3    1   -3    1   -0.0258    0.0872   -0.0241    0.0824    0.0051    1
    4    1    1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1    0   -0.1073    0.1201   -0.1046    0.1173    0.0039    1
    7    1    3    1    0.1185   -0.5972    0.1201   -0.5972    0.0016    1
    8   -1    3    1    0.1431   -0.2206    0.1441   -0.2219    0.0016    1
    9    3   -1   -1   -0.1989    0.0501   -0.1940    0.0483    0.0052    1
   10   -1    1    1    0.2229   -0.1263    0.2267   -0.1283    0.0043    1
   11    0    1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    2    0   -1   -0.1876   -0.0388   -0.1815   -0.0378    0.0061    1
   13   -3    1    3    0.1927   -0.0083    0.1981   -0.0091    0.0055    1
   14   -1    1    2    0.5259   -0.1496    0.5323   -0.1459    0.0074    1
   15    3    1   -1   -0.3414   -0.2400   -0.3358   -0.2354    0.0072    1
   16   -1    0    1    0.1201    0.0341    0.1256    0.0356    0.0058    1
   17   -1    1    3    0.7256   -0.0821    0.7260   -0.0804    0.0018    1
   18    0    1    2    1.0557   -0.5162    1.0655   -0.4953    0.0231    1
   19   -3   -1    3    0.0380    0.0254    0.0407    0.0272    0.0033    1
   20   -1    0    2    0.4391    0.1630    0.4436    0.1639    0.0045    1
   21    1    1   -1   -0.0371   -0.0629   -0.0357   -0.0605    0.0028    1
   22   -1   -1    3    0.2939    0.3297    0.2970    0.3320    0.0038    1
   23    0   -1    1    0.0339    0.2674    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -3    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3    1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    3    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    3   -1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    1    1    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    2    0   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    1    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    1    2    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    3    1   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -1    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    1    3    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    0    1    2    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19   -3   -1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    0    2    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1   -1    3    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    0   -1    1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.112                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1220    0.7909    1.1270   90.0559   90.0760   90.0116      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1317    0.7874    1.1224   90.0000   89.0789   90.0000      0.0000         1.0083    0.7015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0013    0.0424    0.0404    0.0000    4.1849    0.0000      0.0000         0.0373    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0343    0.4794    0.7506)
 a2 = (   -1.2062   -0.3421    0.1637)
 a3 = (    0.2631   -0.7080    0.4657)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0373    0.4788    0.7418) (    0.0137    0.0259    0.0174)
 a2 = (   -1.2118   -0.3442    0.1612) (    0.0670    0.0177    0.0058)
 a3 = (    0.2646   -0.7166    0.4588) (    0.0093    0.0437    0.0133)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   81.4010   58.1012   20.4261    0.3477    2.2006    0.4085
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            299            303
# Figure of merit at the beginning and the end of the refinement
        24.5622        27.4986
# Chi-squares at the beginning and the end of the refinement
    0.0311    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7289   -0.0577   -0.7289   -0.0565    0.0012    1
    2    3   -1   -3   -0.0141   -0.1759   -0.0133   -0.1793    0.0036    1
    3   -1    0    2   -0.0259    0.0877   -0.0241    0.0824    0.0056    1
    4    3   -1   -1   -0.1976   -0.5853   -0.1976   -0.5890    0.0037    1
    5    1    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1    3   -0.1061    0.1182   -0.1046    0.1173    0.0018    1
    7    2    0   -1    0.1189   -0.5976    0.1201   -0.5972    0.0012    1
    8    3    1   -3    0.1447   -0.2220    0.1441   -0.2219    0.0006    1
    9    0   -1    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10    1    1   -1    0.2267   -0.1274    0.2267   -0.1283    0.0009    1
   11    3    1   -1    0.5353   -0.6142    0.5314   -0.6143    0.0038    1
   12    1   -3    1   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13    1    3   -1    0.1978   -0.0081    0.1981   -0.0091    0.0010    1
   14    3    3   -1    0.5296   -0.1489    0.5323   -0.1459    0.0039    1
   15    1   -1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1    0    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18    2    1    0    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1    3    1    0.0430    0.0286    0.0407    0.0272    0.0026    1
   20    1    3    1    0.4429    0.1640    0.4436    0.1639    0.0006    1
   21    1   -1   -1   -0.0348   -0.0586   -0.0357   -0.0605    0.0021    1
   22    0    1    1    0.2979    0.3317    0.2970    0.3320    0.0010    1
   23   -1    1    3    0.0351    0.2705    0.0342    0.2676    0.0030    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    3   -1   -3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -1    0    2   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    3   -1   -1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    1    0   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1   -1    3   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    2    0   -1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    3    1   -3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    0   -1    1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    1    1   -1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    3    1   -1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1   -3    1   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    1    3   -1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    3    3   -1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    1   -1    0   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1    1    0    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    2    1    0    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19   -1    3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    3    1    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    1   -1   -1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    0    1    1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1    1    3    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.113                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1193    0.7947    1.1243   90.5300   90.0760   90.5717      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1317    0.7874    1.1224   90.0000   89.0789   90.0000      0.0000         1.0083    0.7015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0013    0.0424    0.0404    0.0000    4.1849    0.0000      0.0000         0.0373    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0257   -0.4831   -0.7512)
 a2 = (   -1.2004   -0.3405    0.1629)
 a3 = (   -0.2724    0.7072   -0.4656)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0373   -0.4788   -0.7418) (    0.0137    0.0259    0.0174)
 a2 = (   -1.2118   -0.3442    0.1612) (    0.0670    0.0177    0.0058)
 a3 = (   -0.2646    0.7166   -0.4588) (    0.0093    0.0437    0.0133)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -81.4010  121.8988 -159.5739    0.3477    2.2006    0.4085
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            291            303
# Figure of merit at the beginning and the end of the refinement
        14.0294        27.4986
# Chi-squares at the beginning and the end of the refinement
    0.2904    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7236   -0.0582   -0.7289   -0.0565    0.0056    1
    2   -3   -1    3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    1    0   -2   -0.0262    0.0870   -0.0241    0.0824    0.0050    1
    4   -3   -1    1   -0.1987   -0.5831   -0.1976   -0.5890    0.0059    1
    5   -1    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1   -3   -0.1060    0.1175   -0.1046    0.1173    0.0014    1
    7   -2    0    1    0.1156   -0.5972    0.1201   -0.5972    0.0045    1
    8   -3    1    3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    0   -1   -1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10   -1    1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -3    1    1    0.5305   -0.6215    0.5314   -0.6143    0.0073    1
   12   -1   -3   -1   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -1    3    1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -3    3    1    0.5323   -0.1529    0.5323   -0.1459    0.0070    1
   15   -1   -1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1    0    0.7356   -0.0855    0.7260   -0.0804    0.0109    1
   18   -2    1    0    1.0644   -0.5319    1.0655   -0.4953    0.0367    1
   19    1    3   -1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -1    3   -1    0.4468    0.1659    0.4436    0.1639    0.0038    1
   21   -1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    0    1   -1    0.2977    0.3361    0.2970    0.3320    0.0042    1
   23    1    1   -3    0.0328    0.2705    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -3   -1    3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3    1    0   -2   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -3   -1    1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5   -1    0    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -1   -3   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -2    0    1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8   -3    1    3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    0   -1   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10   -1    1    1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11   -3    1    1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12   -1   -3   -1   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13   -1    3    1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14   -3    3    1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15   -1   -1    0   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0    1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17   -1    1    0    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18   -2    1    0    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19    1    3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    3   -1    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21   -1   -1    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    0    1   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23    1    1   -3    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.114                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1170    0.7937    1.1280   89.8896   90.1425   90.1532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.1317    0.7874    1.1224   90.0000   90.9211   90.0000      0.0000         1.0083    0.7015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0013    0.0424    0.0404    0.0000    4.1849    0.0000      0.0000         0.0373    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0332    0.4855    0.7514)
 a2 = (    1.2020    0.3409   -0.1631)
 a3 = (   -0.2653    0.7063   -0.4655)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0373    0.4788    0.7418) (    0.0137    0.0259    0.0174)
 a2 = (    1.2118    0.3442   -0.1612) (    0.0670    0.0177    0.0058)
 a3 = (   -0.2646    0.7166   -0.4588) (    0.0093    0.0437    0.0133)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   98.5990  121.8988 -159.5739    0.3477    2.2006    0.4085
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0161      0.0023    0.0023    0.0802

# Number of computed bands
            299            305
# Figure of merit at the beginning and the end of the refinement
        17.6571        27.4083
# Chi-squares at the beginning and the end of the refinement
    0.0862    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7297   -0.0612   -0.7289   -0.0565    0.0047    1
    2    3    1    3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -1    0   -2   -0.0258    0.0869   -0.0241    0.0824    0.0048    1
    4    3    1    1   -0.1952   -0.5840   -0.1976   -0.5890    0.0055    1
    5    1    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1   -3   -0.1058    0.1179   -0.1046    0.1173    0.0014    1
    7    2    0    1    0.1177   -0.5952    0.1201   -0.5972    0.0031    1
    8    3   -1    3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    0    1   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    3   -1    1    0.5296   -0.6158    0.5314   -0.6143    0.0024    1
   12    1    3   -1   -0.1816   -0.0380   -0.1815   -0.0378    0.0002    1
   13    1   -3    1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    3   -3    1    0.5300   -0.1522    0.5323   -0.1459    0.0066    1
   15    1    1    0   -0.3356   -0.2373   -0.3358   -0.2354    0.0019    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    0    0.7304   -0.0855    0.7260   -0.0804    0.0068    1
   18    2   -1    0    1.0534   -0.5233    1.0655   -0.4953    0.0305    1
   19   -1   -3   -1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    1   -3   -1    0.4452    0.1641    0.4436    0.1639    0.0017    1
   21    1    1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    0   -1   -1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1   -1   -3    0.0342    0.2700    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7296   -0.0545   -0.7289   -0.0565    0.0021    1
    2    3    1    3   -0.0136   -0.1773   -0.0133   -0.1793    0.0021    1
    3   -1    0   -2   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    3    1    1   -0.1963   -0.5880   -0.1976   -0.5890    0.0016    1
    5    1    0    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1   -3   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    2    0    1    0.1213   -0.5980    0.1201   -0.5972    0.0014    1
    8    3   -1    3    0.1452   -0.2225    0.1441   -0.2219    0.0012    1
    9    0    1   -1   -0.1923    0.0480   -0.1940    0.0483    0.0017    1
   10    1   -1    1    0.2268   -0.1279    0.2267   -0.1283    0.0004    1
   11    3   -1    1    0.5372   -0.6120    0.5314   -0.6143    0.0062    1
   12    1    3   -1   -0.1807   -0.0377   -0.1815   -0.0378    0.0008    1
   13    1   -3    1    0.1977   -0.0087    0.1981   -0.0091    0.0006    1
   14    3   -3    1    0.5289   -0.1481    0.5323   -0.1459    0.0041    1
   15    1    1    0   -0.3366   -0.2366   -0.3358   -0.2354    0.0015    1
   16    0   -1    0    0.1253    0.0350    0.1256    0.0356    0.0007    1
   17    1   -1    0    0.7263   -0.0787    0.7260   -0.0804    0.0016    1
   18    2   -1    0    1.0587   -0.5052    1.0655   -0.4953    0.0120    1
   19   -1   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -3   -1    0.4411    0.1638    0.4436    0.1639    0.0025    1
   21    1    1    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    0   -1   -1    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -1   -1   -3    0.0345    0.2671    0.0342    0.2676    0.0007    1

###            No.115                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7909    1.1220    1.1270   90.0760   90.0559   90.0116      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7918    1.1246    1.1230   90.0000   90.1152   90.0000      0.0000         0.7051    1.0015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0193    0.0201    0.0000    1.0565    0.0000      0.0000         0.0126    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.2062    0.3421   -0.1637)
 a2 = (    0.0343   -0.4794   -0.7506)
 a3 = (   -0.2631    0.7080   -0.4657)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.2045    0.3436   -0.1621) (    0.0032    0.0100    0.0056)
 a2 = (    0.0348   -0.4760   -0.7502) (    0.0044    0.0103    0.0128)
 a3 = (   -0.2638    0.7126   -0.4643) (    0.0121    0.0160    0.0070)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -171.3509  121.4106 -159.5477    0.2949    0.4134    0.5428
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            299            297
# Figure of merit at the beginning and the end of the refinement
        24.5622        27.3827
# Chi-squares at the beginning and the end of the refinement
    0.0293    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7289   -0.0577   -0.7289   -0.0565    0.0012    1
    2    1   -3    3   -0.0141   -0.1759   -0.0133   -0.1793    0.0036    1
    3    0    1   -2   -0.0259    0.0877   -0.0241    0.0824    0.0056    1
    4    1   -3    1   -0.1976   -0.5853   -0.1976   -0.5890    0.0037    1
    5    0   -1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1   -3   -0.1061    0.1182   -0.1046    0.1173    0.0018    1
    7    0   -2    1    0.1189   -0.5976    0.1201   -0.5972    0.0012    1
    8   -1   -3    3    0.1447   -0.2220    0.1441   -0.2219    0.0006    1
    9    1    0   -1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10   -1   -1    1    0.2267   -0.1274    0.2267   -0.1283    0.0009    1
   11   -1   -3    1    0.5353   -0.6142    0.5314   -0.6143    0.0038    1
   12    3   -1   -1   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13   -3   -1    1    0.1978   -0.0081    0.1981   -0.0091    0.0010    1
   14   -3   -3    1    0.5296   -0.1489    0.5323   -0.1459    0.0039    1
   15    1   -1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    0    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -1   -2    0    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -3    1   -1    0.0430    0.0286    0.0407    0.0272    0.0026    1
   20   -3   -1   -1    0.4429    0.1640    0.4436    0.1639    0.0006    1
   21    1   -1    1   -0.0348   -0.0586   -0.0357   -0.0605    0.0021    1
   22   -1    0   -1    0.2979    0.3317    0.2970    0.3320    0.0010    1
   23   -1    1   -3    0.0351    0.2705    0.0342    0.2676    0.0030    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2    1   -3    3   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0    1   -2   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4    1   -3    1   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    0   -1    1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1    1   -3   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7    0   -2    1    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1   -3    3    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9    1    0   -1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10   -1   -1    1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1   -3    1    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12    3   -1   -1   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13   -3   -1    1    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -3   -3    1    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15    1   -1    0   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -1    0    0    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17   -1   -1    0    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18   -1   -2    0    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19   -3    1   -1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3   -1   -1    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21    1   -1    1   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22   -1    0   -1    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23   -1    1   -3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.116                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7947    1.1193    1.1243   90.0760   90.5300   90.5717      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7918    1.1246    1.1230   90.0000   89.8848   90.0000      0.0000         0.7051    1.0015
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0193    0.0201    0.0000    1.0565    0.0000      0.0000         0.0126    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.2004    0.3405   -0.1629)
 a2 = (   -0.0257    0.4831    0.7512)
 a3 = (    0.2724   -0.7072    0.4656)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.2045    0.3436   -0.1621) (    0.0032    0.0100    0.0056)
 a2 = (   -0.0348    0.4760    0.7502) (    0.0044    0.0103    0.0128)
 a3 = (    0.2638   -0.7126    0.4643) (    0.0121    0.0160    0.0070)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -8.6491   58.5894   20.4523    0.2949    0.4134    0.5428
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0017      0.0021    0.0024    0.0151

# Number of computed bands
            291            297
# Figure of merit at the beginning and the end of the refinement
        14.0294        27.3827
# Chi-squares at the beginning and the end of the refinement
    0.0538    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7236   -0.0582   -0.7289   -0.0565    0.0056    1
    2    1    3   -3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0   -1    2   -0.0262    0.0870   -0.0241    0.0824    0.0050    1
    4    1    3   -1   -0.1987   -0.5831   -0.1976   -0.5890    0.0059    1
    5    0    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1    3   -0.1060    0.1175   -0.1046    0.1173    0.0014    1
    7    0    2   -1    0.1156   -0.5972    0.1201   -0.5972    0.0045    1
    8   -1    3   -3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    1    0    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10   -1    1   -1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -1    3   -1    0.5305   -0.6215    0.5314   -0.6143    0.0073    1
   12    3    1    1   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -3    1   -1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -3    3   -1    0.5323   -0.1529    0.5323   -0.1459    0.0070    1
   15    1    1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1    0    0.7356   -0.0855    0.7260   -0.0804    0.0109    1
   18   -1    2    0    1.0644   -0.5319    1.0655   -0.4953    0.0367    1
   19   -3   -1    1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -3    1    1    0.4468    0.1659    0.4436    0.1639    0.0038    1
   21    1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    0    1    0.2977    0.3361    0.2970    0.3320    0.0042    1
   23   -1   -1    3    0.0328    0.2705    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7284   -0.0549   -0.7289   -0.0565    0.0016    1
    2    1    3   -3   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -1    2   -0.0250    0.0856   -0.0241    0.0824    0.0033    1
    4    1    3   -1   -0.1969   -0.5869   -0.1976   -0.5890    0.0022    1
    5    0    1   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1   -1    3   -0.1046    0.1168   -0.1046    0.1173    0.0004    1
    7    0    2   -1    0.1202   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1    3   -3    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9    1    0    1   -0.1928    0.0480   -0.1940    0.0483    0.0013    1
   10   -1    1   -1    0.2266   -0.1277    0.2267   -0.1283    0.0007    1
   11   -1    3   -1    0.5370   -0.6135    0.5314   -0.6143    0.0056    1
   12    3    1    1   -0.1810   -0.0381   -0.1815   -0.0378    0.0006    1
   13   -3    1   -1    0.1972   -0.0085    0.1981   -0.0091    0.0011    1
   14   -3    3   -1    0.5292   -0.1479    0.5323   -0.1459    0.0037    1
   15    1    1    0   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -1    0    0    0.1247    0.0349    0.1256    0.0356    0.0011    1
   17   -1    1    0    0.7271   -0.0782    0.7260   -0.0804    0.0024    1
   18   -1    2    0    1.0613   -0.5071    1.0655   -0.4953    0.0126    1
   19   -3   -1    1    0.0421    0.0273    0.0407    0.0272    0.0014    1
   20   -3    1    1    0.4405    0.1642    0.4436    0.1639    0.0031    1
   21    1    1   -1   -0.0349   -0.0603   -0.0357   -0.0605    0.0008    1
   22   -1    0    1    0.2946    0.3296    0.2970    0.3320    0.0034    1
   23   -1   -1    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.117                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7937    1.1280    1.1170   89.8575   90.1532   90.1104      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7916    1.1236    1.1243   90.0000   89.8767   90.0000      0.0000         0.7040    0.9993
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0194    0.0190    0.0000    0.8839    0.0000      0.0000         0.0119    0.0195
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.2020   -0.3409    0.1631)
 a2 = (   -0.2653    0.7063   -0.4655)
 a3 = (    0.0332   -0.4855   -0.7514)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.2052   -0.3420    0.1626) (    0.0025    0.0092    0.0069)
 a2 = (   -0.2646    0.7118   -0.4642) (    0.0079    0.0142    0.0064)
 a3 = (    0.0359   -0.4761   -0.7504) (    0.0098    0.0103    0.0125)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  166.1390  147.5067    4.0871    0.5766    0.4128    0.7056
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
            299            305
# Figure of merit at the beginning and the end of the refinement
        17.6571        27.3375
# Chi-squares at the beginning and the end of the refinement
    0.0618    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7297   -0.0612   -0.7289   -0.0565    0.0047    1
    2   -1    3   -3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0   -2    1   -0.0258    0.0869   -0.0241    0.0824    0.0048    1
    4   -1    1   -3   -0.1952   -0.5840   -0.1976   -0.5890    0.0055    1
    5    0    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -3    1   -0.1058    0.1179   -0.1046    0.1173    0.0014    1
    7    0    1   -2    0.1177   -0.5952    0.1201   -0.5972    0.0031    1
    8    1    3   -3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1   -1    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1    1   -1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    1    1   -3    0.5296   -0.6158    0.5314   -0.6143    0.0024    1
   12   -3   -1   -1   -0.1816   -0.0380   -0.1815   -0.0378    0.0002    1
   13    3    1   -1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    3    1   -3    0.5300   -0.1522    0.5323   -0.1459    0.0066    1
   15   -1    0   -1   -0.3356   -0.2373   -0.3358   -0.2354    0.0019    1
   16    1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    0   -1    0.7304   -0.0855    0.7260   -0.0804    0.0068    1
   18    1    0   -2    1.0534   -0.5233    1.0655   -0.4953    0.0305    1
   19    3   -1    1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    3   -1   -1    0.4452    0.1641    0.4436    0.1639    0.0017    1
   21   -1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1   -1    0    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    1   -3    1    0.0342    0.2700    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1   -1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -1    3   -3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0   -2    1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4   -1    1   -3   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    0    1   -1    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6   -1   -3    1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    0    1   -2    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8    1    3   -3    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9   -1   -1    0   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    1    1   -1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11    1    1   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -3   -1   -1   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13    3    1   -1    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14    3    1   -3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15   -1    0   -1   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16    1    0    0    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17    1    0   -1    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18    1    0   -2    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19    3   -1    1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20    3   -1   -1    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21   -1    1   -1   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22    1   -1    0    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23    1   -3    1    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.118                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7909    1.1270    1.1220   90.0760   90.0116   90.0559      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7916    1.1236    1.1243   90.0000   90.1233   90.0000      0.0000         0.7040    0.9993
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0194    0.0190    0.0000    0.8839    0.0000      0.0000         0.0119    0.0195
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.2062   -0.3421    0.1637)
 a2 = (    0.2631   -0.7080    0.4657)
 a3 = (   -0.0343    0.4794    0.7506)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.2052   -0.3420    0.1626) (    0.0025    0.0092    0.0069)
 a2 = (    0.2646   -0.7118    0.4642) (    0.0079    0.0142    0.0064)
 a3 = (   -0.0359    0.4761    0.7504) (    0.0098    0.0103    0.0125)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.8610   32.4933 -175.9129    0.5766    0.4128    0.7056
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0005    0.0014      0.0023    0.0023    0.0144

# Number of computed bands
            299            305
# Figure of merit at the beginning and the end of the refinement
        24.5622        27.3375
# Chi-squares at the beginning and the end of the refinement
    0.0344    0.0183
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7289   -0.0577   -0.7289   -0.0565    0.0012    1
    2   -1   -3    3   -0.0141   -0.1759   -0.0133   -0.1793    0.0036    1
    3    0    2   -1   -0.0259    0.0877   -0.0241    0.0824    0.0056    1
    4   -1   -1    3   -0.1976   -0.5853   -0.1976   -0.5890    0.0037    1
    5    0   -1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    3   -1   -0.1061    0.1182   -0.1046    0.1173    0.0018    1
    7    0   -1    2    0.1189   -0.5976    0.1201   -0.5972    0.0012    1
    8    1   -3    3    0.1447   -0.2220    0.1441   -0.2219    0.0006    1
    9   -1    1    0   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10    1   -1    1    0.2267   -0.1274    0.2267   -0.1283    0.0009    1
   11    1   -1    3    0.5353   -0.6142    0.5314   -0.6143    0.0038    1
   12   -3    1    1   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13    3   -1    1    0.1978   -0.0081    0.1981   -0.0091    0.0010    1
   14    3   -1    3    0.5296   -0.1489    0.5323   -0.1459    0.0039    1
   15   -1    0    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    0    1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18    1    0    2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19    3    1   -1    0.0430    0.0286    0.0407    0.0272    0.0026    1
   20    3    1    1    0.4429    0.1640    0.4436    0.1639    0.0006    1
   21   -1   -1    1   -0.0348   -0.0586   -0.0357   -0.0605    0.0021    1
   22    1    1    0    0.2979    0.3317    0.2970    0.3320    0.0010    1
   23    1    3   -1    0.0351    0.2705    0.0342    0.2676    0.0030    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -1   -3    3   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    0    2   -1   -0.0253    0.0855   -0.0241    0.0824    0.0033    1
    4   -1   -1    3   -0.1968   -0.5879   -0.1976   -0.5890    0.0013    1
    5    0   -1    1    0.0575   -0.2266    0.0566   -0.2258    0.0013    1
    6   -1    3   -1   -0.1046    0.1165   -0.1046    0.1173    0.0008    1
    7    0   -1    2    0.1211   -0.5982    0.1201   -0.5972    0.0015    1
    8    1   -3    3    0.1453   -0.2222    0.1441   -0.2219    0.0013    1
    9   -1    1    0   -0.1924    0.0480   -0.1940    0.0483    0.0017    1
   10    1   -1    1    0.2266   -0.1276    0.2267   -0.1283    0.0008    1
   11    1   -1    3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -3    1    1   -0.1808   -0.0377   -0.1815   -0.0378    0.0007    1
   13    3   -1    1    0.1973   -0.0086    0.1981   -0.0091    0.0009    1
   14    3   -1    3    0.5287   -0.1481    0.5323   -0.1459    0.0042    1
   15   -1    0    1   -0.3367   -0.2363   -0.3358   -0.2354    0.0013    1
   16    1    0    0    0.1250    0.0349    0.1256    0.0356    0.0010    1
   17    1    0    1    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18    1    0    2    1.0593   -0.5064    1.0655   -0.4953    0.0128    1
   19    3    1   -1    0.0423    0.0275    0.0407    0.0272    0.0016    1
   20    3    1    1    0.4410    0.1637    0.4436    0.1639    0.0025    1
   21   -1   -1    1   -0.0351   -0.0603   -0.0357   -0.0605    0.0007    1
   22    1    1    0    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23    1    3   -1    0.0343    0.2673    0.0342    0.2676    0.0004    1

###            No.121                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6276    1.7995    0.8856   90.0757   90.1314   90.5509      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6311    1.7858    0.8873   90.0000   90.0173   90.0000      0.0000         0.7112    2.0125
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0356    0.0141    0.0000    1.0420    0.0000      0.0000         0.0113    0.0440
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3697   -1.5070   -0.3628)
 a2 = (   -0.4438   -0.0344   -0.3328)
 a3 = (    0.6230    0.3596   -0.8705)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3769   -1.4960   -0.3615) (    0.0128    0.0045    0.0090)
 a2 = (   -0.4497   -0.0330   -0.3321) (    0.0106    0.0043    0.0052)
 a3 = (    0.6159    0.3651   -0.8703) (    0.0152    0.0129    0.0143)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -158.9581  140.5497  120.6864    0.5317    0.4403    0.7964
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            335            331
# Figure of merit at the beginning and the end of the refinement
        15.3391        26.2189
# Chi-squares at the beginning and the end of the refinement
    0.0826    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7454   -0.0578   -0.7289   -0.0565    0.0165    1
    2   -3   -2    1   -0.0144   -0.1773   -0.0133   -0.1793    0.0023    1
    3    3   -2   -1   -0.0245    0.0860   -0.0241    0.0824    0.0036    1
    4   -1   -2    0   -0.1936   -0.5890   -0.1976   -0.5890    0.0041    1
    5   -1    0    0    0.0557   -0.2271    0.0566   -0.2258    0.0016    1
    6    1   -2    0   -0.1043    0.1193   -0.1046    0.1173    0.0020    1
    7   -3   -2   -1    0.1191   -0.5966    0.1201   -0.5972    0.0011    1
    8   -3    2   -1    0.1435   -0.2242    0.1441   -0.2219    0.0023    1
    9    1   -6    1   -0.1958    0.0504   -0.1940    0.0483    0.0028    1
   10   -1    2   -1    0.2272   -0.1303    0.2267   -0.1283    0.0021    1
   11   -1    0   -1    0.5319   -0.6148    0.5314   -0.6143    0.0007    1
   12    0   -4    1   -0.1841   -0.0382   -0.1815   -0.0378    0.0026    1
   13   -1    6   -3    0.1991   -0.0090    0.1981   -0.0091    0.0010    1
   14   -1    2   -2    0.5308   -0.1525    0.5323   -0.1459    0.0067    1
   15   -1   -6    1   -0.3392   -0.2411   -0.3358   -0.2354    0.0067    1
   16    0    2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    2   -3    0.7289   -0.0838    0.7260   -0.0804    0.0045    1
   18   -1    0   -2    1.0521   -0.5130    1.0655   -0.4953    0.0222    1
   19    1    6   -3    0.0418    0.0280    0.0407    0.0272    0.0013    1
   20    0    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -2    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -3    0.2965    0.3298    0.2970    0.3320    0.0023    1
   23    1    0   -1    0.0362    0.2670    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2   -3   -2    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3    3   -2   -1   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4   -1   -2    0   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5   -1    0    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    1   -2    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -2   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    2   -1    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    1   -6    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    2   -1    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0   -1    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    0   -4    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    6   -3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    2   -2    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15   -1   -6    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0    2   -1    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -1    2   -3    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18   -1    0   -2    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19    1    6   -3    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    0    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -2    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    1    2   -3    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23    1    0   -1    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.123                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6276    0.8856    1.7995   90.0757   90.5509   90.1314      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6311    0.8872    1.7860   90.0000   90.0332   90.0000      0.0000         0.3533    0.4968
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0139    0.0341    0.0000    0.8480    0.0000      0.0000         0.0067    0.0111
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3697    1.5070    0.3628)
 a2 = (   -0.6230   -0.3596    0.8705)
 a3 = (    0.4438    0.0344    0.3328)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3764    1.4962    0.3616) (    0.0134    0.0031    0.0076)
 a2 = (   -0.6160   -0.3653    0.8703) (    0.0150    0.0074    0.0125)
 a3 = (    0.4495    0.0332    0.3321) (    0.0106    0.0055    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   16.4615   53.6269   94.1813    0.3625    0.4381    0.6585
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            335            331
# Figure of merit at the beginning and the end of the refinement
        15.3391        26.1830
# Chi-squares at the beginning and the end of the refinement
    0.0529    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7454   -0.0578   -0.7289   -0.0565    0.0165    1
    2    3   -1    2   -0.0144   -0.1773   -0.0133   -0.1793    0.0023    1
    3   -3    1    2   -0.0245    0.0860   -0.0241    0.0824    0.0036    1
    4    1    0    2   -0.1936   -0.5890   -0.1976   -0.5890    0.0041    1
    5    1    0    0    0.0557   -0.2271    0.0566   -0.2258    0.0016    1
    6   -1    0    2   -0.1043    0.1193   -0.1046    0.1173    0.0020    1
    7    3    1    2    0.1191   -0.5966    0.1201   -0.5972    0.0011    1
    8    3    1   -2    0.1435   -0.2242    0.1441   -0.2219    0.0023    1
    9   -1   -1    6   -0.1958    0.0504   -0.1940    0.0483    0.0028    1
   10    1    1   -2    0.2272   -0.1303    0.2267   -0.1283    0.0021    1
   11    1    1    0    0.5319   -0.6148    0.5314   -0.6143    0.0007    1
   12    0   -1    4   -0.1841   -0.0382   -0.1815   -0.0378    0.0026    1
   13    1    3   -6    0.1991   -0.0090    0.1981   -0.0091    0.0010    1
   14    1    2   -2    0.5308   -0.1525    0.5323   -0.1459    0.0067    1
   15    1   -1    6   -0.3392   -0.2411   -0.3358   -0.2354    0.0067    1
   16    0    1   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3   -2    0.7289   -0.0838    0.7260   -0.0804    0.0045    1
   18    1    2    0    1.0521   -0.5130    1.0655   -0.4953    0.0222    1
   19   -1    3   -6    0.0418    0.0280    0.0407    0.0272    0.0013    1
   20    0    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -1    2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3   -2    0.2965    0.3298    0.2970    0.3320    0.0023    1
   23   -1    1    0    0.0362    0.2670    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    3   -1    2   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -3    1    2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    0    2   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    3    1    2    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8    3    1   -2    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -1   -1    6   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -2    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1    0    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    0   -1    4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3   -6    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    6   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    1   -2    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    1    3   -2    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    1    2    0    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -1    3   -6    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    1   -1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    1   -1    2   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1    3   -2    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23   -1    1    0    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.125                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8784    0.6378    1.7849   90.0153   90.0770   90.0328      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8878    0.6307    1.7859   90.0000   89.8795   90.0000      0.0000         0.4971    0.3532
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0157    0.0420    0.0000    2.4747    0.0000      0.0000         0.0117    0.0077
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6280    0.3626   -0.8776)
 a2 = (    0.3740   -1.4828   -0.3462)
 a3 = (   -0.4474   -0.0347   -0.3355)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6166    0.3650   -0.8692) (    0.0227    0.0057    0.0149)
 a2 = (    0.3770   -1.4970   -0.3612) (    0.0140    0.0386    0.0086)
 a3 = (   -0.4499   -0.0333   -0.3317) (    0.0155    0.0071    0.0074)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -106.4505  126.4355  -85.8107    0.3474    1.3537    0.5028
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            331            332
# Figure of merit at the beginning and the end of the refinement
         8.3224        26.1647
# Chi-squares at the beginning and the end of the refinement
    0.2251    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7454   -0.0578   -0.7289   -0.0565    0.0165    1
    2    1   -3   -2   -0.0139   -0.1693   -0.0133   -0.1793    0.0100    1
    3   -1    3   -2   -0.0290    0.0991   -0.0241    0.0824    0.0174    1
    4    0   -1   -2   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    0   -1    0    0.0554   -0.2195    0.0566   -0.2258    0.0064    1
    6    0    1   -2   -0.1142    0.1272   -0.1046    0.1173    0.0138    1
    7   -1   -3   -2    0.1229   -0.5973    0.1201   -0.5972    0.0028    1
    8   -1   -3    2    0.1424   -0.2162    0.1441   -0.2219    0.0060    1
    9    1    1   -6   -0.2017    0.0499   -0.1940    0.0483    0.0078    1
   10   -1   -1    2    0.2230   -0.1235    0.2267   -0.1283    0.0061    1
   11   -1   -1    0    0.5428   -0.6069    0.5314   -0.6143    0.0136    1
   12    1    0   -4   -0.1841   -0.0382   -0.1815   -0.0378    0.0026    1
   13   -3   -1    6    0.1952   -0.0074    0.1981   -0.0091    0.0034    1
   14   -2   -1    2    0.5273   -0.1438    0.5323   -0.1459    0.0054    1
   15    1   -1   -6   -0.3387   -0.2367   -0.3358   -0.2354    0.0032    1
   16   -1    0    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1    2    0.7243   -0.0748    0.7260   -0.0804    0.0058    1
   18   -2   -1    0    1.0601   -0.4927    1.0655   -0.4953    0.0059    1
   19   -3    1    6    0.0454    0.0300    0.0407    0.0272    0.0054    1
   20   -1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -1   -2   -0.0321   -0.0536   -0.0357   -0.0605    0.0078    1
   22   -3    1    2    0.3047    0.3345    0.2970    0.3320    0.0081    1
   23   -1    1    0    0.0389    0.2826    0.0342    0.2676    0.0157    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -3   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    3   -2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0   -1   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0   -1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -3   -2    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -3    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    1   -6   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1   -1    2    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -1    0    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12    1    0   -4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3   -1    6    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -1    2    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1   -6   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -1    0    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -3   -1    2    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18   -2   -1    0    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19   -3    1    6    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    0    1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21    1   -1   -2   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -3    1    2    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23   -1    1    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.127                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8904    0.8926    1.2583   89.8569   90.0987   90.2470      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8873    0.8929    1.2622   90.0000   90.0173   90.0000      0.0000         0.7030    0.7074
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0195    0.0201    0.0000    1.0420    0.0000      0.0000         0.0112    0.0141
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6154    0.3603   -0.8677)
 a2 = (    0.9012    0.0699    0.6619)
 a3 = (    0.1881   -0.7509   -0.1802)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6159    0.3651   -0.8703) (    0.0081    0.0131    0.0065)
 a2 = (    0.8993    0.0661    0.6642) (    0.0237    0.0088    0.0097)
 a3 = (    0.1885   -0.7480   -0.1808) (    0.0069    0.0125    0.0047)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -52.4779  103.1741   14.1310    0.4710    0.6671    0.4327
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0057      0.0024    0.0022    0.0122

# Number of computed bands
            345            345
# Figure of merit at the beginning and the end of the refinement
        24.6477        25.6815
# Chi-squares at the beginning and the end of the refinement
    0.0433    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    1    1   -6   -0.0139   -0.1762   -0.0133   -0.1793    0.0031    1
    3   -1    1    6   -0.0254    0.0861   -0.0241    0.0824    0.0039    1
    4    0    1   -2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    1    2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    1   -6    0.1191   -0.5956    0.1201   -0.5972    0.0019    1
    8   -1   -1   -6    0.1442   -0.2222    0.1441   -0.2219    0.0003    1
    9    1    3    2   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10   -1   -1   -2    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11   -1    0   -2    0.5327   -0.6132    0.5314   -0.6143    0.0017    1
   12    1    2    0   -0.1809   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -3   -3   -2    0.1981   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2   -1   -2    0.5291   -0.1500    0.5323   -0.1459    0.0052    1
   15    1    3   -2   -0.3359   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3   -1   -2    0.7277   -0.0817    0.7260   -0.0804    0.0022    1
   18   -1    0   -1    1.0549   -0.5128    1.0655   -0.4953    0.0204    1
   19   -3   -3    2    0.0425    0.0285    0.0407    0.0272    0.0022    1
   20   -2   -1    0    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21    1    1   -2   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -3   -1    2    0.2961    0.3313    0.2970    0.3320    0.0011    1
   23   -1    0    2    0.0344    0.2681    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7301   -0.0543   -0.7289   -0.0565    0.0026    1
    2    1    1   -6   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -1    1    6   -0.0252    0.0854   -0.0241    0.0824    0.0031    1
    4    0    1   -2   -0.1961   -0.5878   -0.1976   -0.5890    0.0019    1
    5    0    0   -1    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6    0    1    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    1   -6    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -1   -6    0.1450   -0.2225    0.1441   -0.2219    0.0011    1
    9    1    3    2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1   -2    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0   -2    0.5372   -0.6122    0.5314   -0.6143    0.0061    1
   12    1    2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3   -3   -2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -1   -2    0.5291   -0.1481    0.5323   -0.1459    0.0039    1
   15    1    3   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16   -1   -1    0    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -3   -1   -2    0.7266   -0.0784    0.7260   -0.0804    0.0021    1
   18   -1    0   -1    1.0595   -0.5048    1.0655   -0.4953    0.0113    1
   19   -3   -3    2    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20   -2   -1    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1   -2   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -3   -1    2    0.2949    0.3298    0.2970    0.3320    0.0031    1
   23   -1    0    2    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.128                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8926    0.8904    1.2583   89.9013   90.1431   90.2470      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8930    0.8872    1.2621   90.0000   90.0332   90.0000      0.0000         0.7076    0.7030
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0199    0.0241    0.0000    0.8480    0.0000      0.0000         0.0135    0.0110
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9012    0.0699    0.6619)
 a2 = (    0.6154    0.3603   -0.8677)
 a3 = (   -0.1881    0.7509    0.1802)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8991    0.0664    0.6642) (    0.0059    0.0109    0.0079)
 a2 = (    0.6160    0.3653   -0.8703) (    0.0210    0.0093    0.0153)
 a3 = (   -0.1882    0.7481    0.1808) (    0.0072    0.0145    0.0053)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  142.4688   76.8313 -165.8524    0.4888    0.4746    0.4503
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            345            345
# Figure of merit at the beginning and the end of the refinement
        24.6477        25.6463
# Chi-squares at the beginning and the end of the refinement
    0.0592    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    1    1    6   -0.0139   -0.1762   -0.0133   -0.1793    0.0031    1
    3    1   -1   -6   -0.0254    0.0861   -0.0241    0.0824    0.0039    1
    4    1    0    2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    0   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1   -1    6    0.1191   -0.5956    0.1201   -0.5972    0.0019    1
    8   -1   -1    6    0.1442   -0.2222    0.1441   -0.2219    0.0003    1
    9    3    1   -2   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10   -1   -1    2    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11    0   -1    2    0.5327   -0.6132    0.5314   -0.6143    0.0017    1
   12    2    1    0   -0.1809   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -3   -3    2    0.1981   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -2    2    0.5291   -0.1500    0.5323   -0.1459    0.0052    1
   15    3    1    2   -0.3359   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -1   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3    2    0.7277   -0.0817    0.7260   -0.0804    0.0022    1
   18    0   -1    1    1.0549   -0.5128    1.0655   -0.4953    0.0204    1
   19   -3   -3   -2    0.0425    0.0285    0.0407    0.0272    0.0022    1
   20   -1   -2    0    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21    1    1    2   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1   -3   -2    0.2961    0.3313    0.2970    0.3320    0.0011    1
   23    0   -1   -2    0.0344    0.2681    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    1    1    6   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -1   -6   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    0    2   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    0    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    0   -2   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    1   -1    6    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -1   -1    6    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    3    1   -2   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    2    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -1    2    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    2    1    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3   -3    2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -2    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    3    1    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    0    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17   -1   -3    2    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    0   -1    1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -3   -3   -2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -2    0    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    1    1    2   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -1   -3   -2    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    0   -1   -2    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.129                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8904    1.2583    0.8926   89.8569   90.2470   90.0987      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8878    1.2615    0.8930   90.0000   90.1205   90.0000      0.0000         0.9942    1.4127
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0314    0.0210    0.0000    2.4747    0.0000      0.0000         0.0234    0.0306
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6154   -0.3603    0.8677)
 a2 = (   -0.1881    0.7509    0.1802)
 a3 = (   -0.9012   -0.0699   -0.6619)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6166   -0.3650    0.8692) (    0.0227    0.0057    0.0149)
 a2 = (   -0.1885    0.7485    0.1806) (    0.0070    0.0193    0.0043)
 a3 = (   -0.8999   -0.0666   -0.6633) (    0.0310    0.0142    0.0148)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.5495  126.4355  -85.8107    0.3474    1.3537    0.5028
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0037      0.0023    0.0023    0.0420

# Number of computed bands
            345            347
# Figure of merit at the beginning and the end of the refinement
        24.6477        25.5930
# Chi-squares at the beginning and the end of the refinement
    0.0393    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2   -1    6   -1   -0.0139   -0.1762   -0.0133   -0.1793    0.0031    1
    3    1   -6   -1   -0.0254    0.0861   -0.0241    0.0824    0.0039    1
    4    0    2   -1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -2   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1    6   -1    0.1191   -0.5956    0.1201   -0.5972    0.0019    1
    8    1    6    1    0.1442   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1   -2   -3   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10    1    2    1    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11    1    2    0    0.5327   -0.6132    0.5314   -0.6143    0.0017    1
   12   -1    0   -2   -0.1809   -0.0374   -0.1815   -0.0378    0.0007    1
   13    3    2    3    0.1981   -0.0085    0.1981   -0.0091    0.0006    1
   14    2    2    1    0.5291   -0.1500    0.5323   -0.1459    0.0052    1
   15   -1    2   -3   -0.3359   -0.2365   -0.3358   -0.2354    0.0011    1
   16    1    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3    2    1    0.7277   -0.0817    0.7260   -0.0804    0.0022    1
   18    1    1    0    1.0549   -0.5128    1.0655   -0.4953    0.0204    1
   19    3   -2    3    0.0425    0.0285    0.0407    0.0272    0.0022    1
   20    2    0    1    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21   -1    2   -1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    3   -2    1    0.2961    0.3313    0.2970    0.3320    0.0011    1
   23    1   -2    0    0.0344    0.2681    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7302   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    6   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -6   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    0    1    0    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    6   -1    0.1210   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    6    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -2   -3   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1    2    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    2    0    0.5371   -0.6122    0.5314   -0.6143    0.0061    1
   12   -1    0   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3    2    3    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    2    1    0.5291   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    2   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0015    1
   16    1    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    3    2    1    0.7265   -0.0785    0.7260   -0.0804    0.0020    1
   18    1    1    0    1.0591   -0.5049    1.0655   -0.4953    0.0116    1
   19    3   -2    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2    0    1    0.4409    0.1640    0.4436    0.1639    0.0027    1
   21   -1    2   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    3   -2    1    0.2949    0.3297    0.2970    0.3320    0.0031    1
   23    1   -2    0    0.0346    0.2668    0.0342    0.2676    0.0009    1

###            No.130                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0752    0.9000    1.0990   91.0409  109.7796   91.4038      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0938    0.8872    1.0932   90.0000  109.5063   90.0000      0.0000         1.0005    0.8116
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0070    0.0166    0.0159    0.0000    1.0304    0.0000      0.0000         0.0140    0.0146
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6503   -0.7290    0.1535)
 a2 = (   -0.5856   -0.3902    0.8609)
 a3 = (   -0.2634   -0.7852   -0.4999)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6377   -0.7149    0.1513) (    0.0084    0.0079    0.0055)
 a2 = (   -0.6160   -0.3653    0.8703) (    0.0180    0.0075    0.0137)
 a3 = (   -0.2613   -0.7813   -0.5129) (    0.0104    0.0119    0.0079)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   11.4237  128.0220  -41.1719    0.4025    0.4640    0.7213
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            359            347
# Figure of merit at the beginning and the end of the refinement
         6.1394        25.5723
# Chi-squares at the beginning and the end of the refinement
    0.2798    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7124   -0.0438   -0.7289   -0.0565    0.0208    1
    2   -2   -1   -4   -0.0113   -0.1660   -0.0133   -0.1793    0.0135    1
    3    4    1    2   -0.0272    0.0891   -0.0241    0.0824    0.0074    1
    4    0    0   -1   -0.1920   -0.5723   -0.1976   -0.5890    0.0176    1
    5   -1    0   -1    0.0549   -0.2147    0.0566   -0.2258    0.0112    1
    6    1    0    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -2    1   -4    0.1155   -0.5839    0.1201   -0.5972    0.0141    1
    8   -4    1   -2    0.1390   -0.2140    0.1441   -0.2219    0.0094    1
    9    4   -1   -2   -0.1902    0.0489   -0.1940    0.0483    0.0039    1
   10   -2    1    0    0.2223   -0.1259    0.2267   -0.1283    0.0050    1
   11   -1    1   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    2   -1   -2   -0.1772   -0.0369   -0.1815   -0.0378    0.0045    1
   13   -4    3    2    0.1980   -0.0071    0.1981   -0.0091    0.0020    1
   14   -1    1    0    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    2   -1   -4   -0.3285   -0.2316   -0.3358   -0.2354    0.0082    1
   16   -1    1    1    0.1271    0.0378    0.1256    0.0356    0.0027    1
   17   -2    3    0    0.7378   -0.0694    0.7260   -0.0804    0.0161    1
   18   -1    2   -1    1.0864   -0.5117    1.0655   -0.4953    0.0266    1
   19   -2    3    4    0.0453    0.0314    0.0407    0.0272    0.0062    1
   20   -1    2    1    0.4413    0.1771    0.4436    0.1639    0.0134    1
   21    0   -1   -2   -0.0304   -0.0536   -0.0357   -0.0605    0.0087    1
   22    0    3    2    0.2840    0.3409    0.2970    0.3320    0.0157    1
   23    1    1    1    0.0279    0.2673    0.0342    0.2676    0.0063    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2   -2   -1   -4   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    4    1    2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    0    0   -1   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5   -1    0   -1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    0    0   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -2    1   -4    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8   -4    1   -2    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    4   -1   -2   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10   -2    1    0    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1   -1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    2   -1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -4    3    2    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    1    0    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    2   -1   -4   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17   -2    3    0    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18   -1    2   -1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -2    3    4    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    2    1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    0   -1   -2   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22    0    3    2    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23    1    1    1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.132                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0917    0.8814    1.1073   88.4716  110.1392   90.8480      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0932    0.8872    1.0938   90.0000  109.5063   90.0000      0.0000         0.9995    0.8112
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0070    0.0140    0.0176    0.0000    1.0304    0.0000      0.0000         0.0139    0.0171
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2628    0.7832    0.5190)
 a2 = (    0.6400    0.3657   -0.8630)
 a3 = (   -0.6304    0.7140   -0.1359)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2613    0.7813    0.5129) (    0.0095    0.0046    0.0042)
 a2 = (    0.6160    0.3653   -0.8703) (    0.0157    0.0081    0.0113)
 a3 = (   -0.6377    0.7149   -0.1513) (    0.0142    0.0105    0.0057)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  145.6103  110.6556 -122.0684    0.3319    0.5861    0.5221
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0006    0.0058      0.0023    0.0022    0.0121

# Number of computed bands
            359            347
# Figure of merit at the beginning and the end of the refinement
         6.1468        25.5723
# Chi-squares at the beginning and the end of the refinement
    0.2849    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    4    1    2   -0.0166   -0.1896   -0.0133   -0.1793    0.0108    1
    3   -2   -1   -4   -0.0202    0.0713   -0.0241    0.0824    0.0118    1
    4    1    0    0   -0.1999   -0.5957   -0.1976   -0.5890    0.0070    1
    5    1    0    1    0.0593   -0.2413    0.0566   -0.2258    0.0158    1
    6    0    0   -1   -0.0945    0.1070   -0.1046    0.1173    0.0145    1
    7    4   -1    2    0.1237   -0.6108    0.1201   -0.5972    0.0141    1
    8    2   -1    4    0.1529   -0.2353    0.1441   -0.2219    0.0159    1
    9    2    1   -4   -0.1834    0.0460   -0.1940    0.0483    0.0109    1
   10    0   -1    2    0.2370   -0.1324    0.2267   -0.1283    0.0111    1
   11    1   -1    1    0.5470   -0.6142    0.5314   -0.6143    0.0155    1
   12    2    1   -2   -0.1766   -0.0367   -0.1815   -0.0378    0.0051    1
   13   -2   -3    4    0.2025   -0.0078    0.1981   -0.0091    0.0045    1
   14    0   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    4    1   -2   -0.3372   -0.2365   -0.3358   -0.2354    0.0018    1
   16   -1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -3    2    0.7207   -0.0750    0.7260   -0.0804    0.0076    1
   18    1   -2    1    1.0526   -0.4893    1.0655   -0.4953    0.0142    1
   19   -4   -3    2    0.0396    0.0262    0.0407    0.0272    0.0015    1
   20   -1   -2    1    0.4340    0.1599    0.4436    0.1639    0.0104    1
   21    2    1    0   -0.0401   -0.0664   -0.0357   -0.0605    0.0074    1
   22   -2   -3    0    0.2901    0.3159    0.2970    0.3320    0.0175    1
   23   -1   -1   -1    0.0369    0.2522    0.0342    0.2676    0.0156    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7303   -0.0545   -0.7289   -0.0565    0.0024    1
    2    4    1    2   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -2   -1   -4   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    0    0   -0.1961   -0.5876   -0.1976   -0.5890    0.0021    1
    5    1    0    1    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6    0    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    4   -1    2    0.1209   -0.5978    0.1201   -0.5972    0.0010    1
    8    2   -1    4    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    2    1   -4   -0.1925    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    2    0.2268   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -1    1    0.5371   -0.6124    0.5314   -0.6143    0.0060    1
   12    2    1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2   -3    4    0.1978   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -1    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    4    1   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    1    0.1253    0.0350    0.1256    0.0356    0.0006    1
   17    0   -3    2    0.7267   -0.0783    0.7260   -0.0804    0.0022    1
   18    1   -2    1    1.0596   -0.5049    1.0655   -0.4953    0.0113    1
   19   -4   -3    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -2    1    0.4408    0.1642    0.4436    0.1639    0.0028    1
   21    2    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0010    1
   22   -2   -3    0    0.2947    0.3296    0.2970    0.3320    0.0033    1
   23   -1   -1   -1    0.0347    0.2667    0.0342    0.2676    0.0011    1

###            No.133                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9765    0.9755    1.1555   90.4902  114.6841   90.0494      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9773    0.9781    1.1519   90.0000  114.7418   90.0000      0.0000         0.8484    0.8492
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0134    0.0151    0.0292    0.0000    1.7045    0.0000      0.0000         0.0285    0.0270
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6008    0.7912    0.5324)
 a2 = (   -0.8633    0.4888    0.2584)
 a3 = (    0.1640   -0.1778    0.9213)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6038    0.7887    0.5317) (    0.0049    0.0127    0.0175)
 a2 = (   -0.8617    0.4870    0.2562) (    0.0142    0.0101    0.0068)
 a3 = (    0.1716   -0.1818    0.9226) (    0.0161    0.0145    0.0298)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   62.0314   32.2975   -5.2993    0.5159    1.1257    0.6574
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0005   -0.0050      0.0024    0.0024    0.0434

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         7.8512         9.9530
# Chi-squares at the beginning and the end of the refinement
    0.0660    0.0171
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7299   -0.0559   -0.7289   -0.0565    0.0011    1
    2    2    1   -1   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3   -1   -1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    3    1    0   -0.1920   -0.5853   -0.1976   -0.5890    0.0067    1
    5    2    2   -1    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6   -1   -3    2   -0.1016    0.1146   -0.1046    0.1173    0.0041    1
    7    1    1    0    0.1216   -0.5929    0.1201   -0.5972    0.0045    1
    8    2    4   -1    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9    1   -3    1   -0.1899    0.0483   -0.1940    0.0483    0.0041    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3    1    0.5314   -0.6055    0.5314   -0.6143    0.0088    1
   12    1   -1    0   -0.1795   -0.0371   -0.1815   -0.0378    0.0022    1
   13   -2    4    1    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14   -1    4    2    0.6008   -0.1303    0.5323   -0.1459    0.0702    0
   15    3   -1    0   -0.3348   -0.2368   -0.3358   -0.2354    0.0016    1
   16   -2    2    1    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17   -1    3    2    0.7195   -0.0803    0.7260   -0.0804    0.0065    1
   18    0    4    3    1.0422   -0.5003    1.0655   -0.4953    0.0238    1
   19   -2    1    1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20   -1    1    1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21    2    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3    1    3    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23   -3   -1    3    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7314   -0.0542   -0.7289   -0.0565    0.0034    1
    2    2    1   -1   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -1    1   -0.0250    0.0849   -0.0241    0.0824    0.0027    1
    4    3    1    0   -0.1952   -0.5876   -0.1976   -0.5890    0.0028    1
    5    2    2   -1    0.0570   -0.2264    0.0566   -0.2258    0.0008    1
    6   -1   -3    2   -0.1039    0.1165   -0.1046    0.1173    0.0011    1
    7    1    1    0    0.1207   -0.5969    0.1201   -0.5972    0.0007    1
    8    2    4   -1    0.1446   -0.2226    0.1441   -0.2219    0.0009    1
    9    1   -3    1   -0.1924    0.0484   -0.1940    0.0483    0.0016    1
   10    0    1    0    0.2267   -0.1285    0.2267   -0.1283    0.0002    1
   11    1    3    1    0.5356   -0.6124    0.5314   -0.6143    0.0046    1
   12    1   -1    0   -0.1810   -0.0379   -0.1815   -0.0378    0.0005    1
   13   -2    4    1    0.1981   -0.0089    0.1981   -0.0091    0.0003    1
   14   -1    4    2    0.6062   -0.1306    0.5323   -0.1459    0.0755    0
   15    3   -1    0   -0.3367   -0.2374   -0.3358   -0.2354    0.0022    1
   16   -2    2    1    0.1254    0.0351    0.1256    0.0356    0.0006    1
   17   -1    3    2    0.7270   -0.0793    0.7260   -0.0804    0.0014    1
   18    0    4    3    1.0582   -0.5066    1.0655   -0.4953    0.0135    1
   19   -2    1    1    0.0424    0.0277    0.0407    0.0272    0.0017    1
   20   -1    1    1    0.4412    0.1643    0.4436    0.1639    0.0024    1
   21    2    0   -1   -0.0349   -0.0602   -0.0357   -0.0605    0.0008    1
   22   -3    1    3    0.2944    0.3299    0.2970    0.3320    0.0033    1
   23   -3   -1    3    0.0344    0.2661    0.0342    0.2676    0.0015    1

###            No.134                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.4364    0.4788    1.4548   89.5898   91.9074   90.0468      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.4389    0.4809    1.4451   90.0000   90.2997   90.0000      0.0000         0.9957    0.3328
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.0077    0.0674    0.0000    1.5308    0.0000      0.0000         0.0465    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6645   -0.1885    0.0902)
 a2 = (    0.4943   -1.9734   -0.4730)
 a3 = (    0.1032   -0.1290    0.6676)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6629   -0.1885    0.0898) (    0.0016    0.0041    0.0064)
 a2 = (    0.4944   -1.9635   -0.4730) (    0.0142    0.0308    0.0183)
 a3 = (    0.1237   -0.1298    0.6684) (    0.0132    0.0118    0.0309)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  150.3912   15.1664   44.6226    1.5174    0.5468    1.5455
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003    0.0014      0.0023    0.0031    0.0454

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7808         7.0750
# Chi-squares at the beginning and the end of the refinement
    0.1301    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -1   -1    0   -0.0139   -0.1760   -0.0133   -0.1793    0.0034    1
    3    0    1    1   -0.0243    0.0857   -0.0241    0.0824    0.0033    1
    4   -3   -2    3   -0.1878   -0.5894   -0.1976   -0.5890    0.0098    1
    5    0   -1    0    0.0565   -0.2255    0.0566   -0.2258    0.0003    1
    6   -3    2    3   -0.1034    0.1184   -0.1046    0.1173    0.0016    1
    7    0   -1    1    0.1255   -0.5918    0.1201   -0.5972    0.0076    1
    8    1   -1    0    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -6    1    3   -0.1937    0.0497   -0.1940    0.0483    0.0014    1
   10    3   -1    0    0.2263   -0.1281    0.2267   -0.1283    0.0004    1
   11    3   -2    3    0.5341   -0.5984    0.5314   -0.6143    0.0161    1
   12   -3    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    7   -1    0    0.2112   -0.0268    0.1981   -0.0091    0.0220    0
   14    5   -1    2    0.5983   -0.1281    0.5323   -0.1459    0.0684    0
   15   -6   -1    3   -0.3368   -0.2407   -0.3358   -0.2354    0.0054    1
   16    1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    6   -1    3    0.7147   -0.0781    0.7260   -0.0804    0.0116    1
   18    3   -1    3    1.0337   -0.4846    1.0655   -0.4953    0.0335    1
   19    6    1    0    0.0109    0.0097    0.0407    0.0272    0.0346    0
   20    3    0    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -3   -1    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    6    1    3    0.2953    0.3239    0.2970    0.3320    0.0082    1
   23    3    2    3    0.0377    0.2656    0.0342    0.2676    0.0041    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7302   -0.0549   -0.7289   -0.0565    0.0021    1
    2   -1   -1    0   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    0    1    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -3   -2    3   -0.1959   -0.5874   -0.1976   -0.5890    0.0023    1
    5    0   -1    0    0.0572   -0.2265    0.0566   -0.2258    0.0010    1
    6   -3    2    3   -0.1042    0.1166   -0.1046    0.1173    0.0007    1
    7    0   -1    1    0.1209   -0.5975    0.1201   -0.5972    0.0009    1
    8    1   -1    0    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -6    1    3   -0.1923    0.0482   -0.1940    0.0483    0.0017    1
   10    3   -1    0    0.2270   -0.1280    0.2267   -0.1283    0.0004    1
   11    3   -2    3    0.5367   -0.6121    0.5314   -0.6143    0.0057    1
   12   -3    0    1   -0.1807   -0.0377   -0.1815   -0.0378    0.0009    1
   13    7   -1    0    0.2112   -0.0268    0.1981   -0.0091    0.0220    0
   14    6   -1    2    0.5454   -0.0743    0.5323   -0.1459    0.0729    0
   15   -6   -1    3   -0.3364   -0.2366   -0.3358   -0.2354    0.0014    1
   16    1    0    0    0.1254    0.0353    0.1256    0.0356    0.0004    1
   17    6   -1    3    0.7265   -0.0788    0.7260   -0.0804    0.0017    1
   18    3   -1    3    1.0582   -0.5055    1.0655   -0.4953    0.0126    1
   19    6    1    0    0.0108    0.0091    0.0407    0.0272    0.0350    0
   20    3    0    1    0.4411    0.1641    0.4436    0.1639    0.0025    1
   21   -3   -1    0   -0.0350   -0.0599   -0.0357   -0.0605    0.0009    1
   22    6    1    3    0.2951    0.3299    0.2970    0.3320    0.0028    1
   23    3    2    3    0.0346    0.2670    0.0342    0.2676    0.0008    1

###            No.135                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5402    1.7929    1.0490   90.1375  100.1429   90.9554      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5442    1.7862    1.0454   90.0000  100.2603   90.0000      0.0000         0.5206    1.7085
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0015    0.0378    0.0214    0.0000    0.8500    0.0000      0.0000         0.0106    0.0393
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1421    0.2001    1.4809)
 a2 = (   -0.4490   -0.0348   -0.3292)
 a3 = (   -0.1184   -0.9279    0.2507)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.1124    0.2016    1.4862) (    0.0109    0.0198    0.0081)
 a2 = (   -0.4496   -0.0330   -0.3320) (    0.0115    0.0043    0.0048)
 a3 = (   -0.1195   -0.9306    0.2543) (    0.0094    0.0203    0.0057)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  126.6911   83.0031   -0.9870    0.4305    0.6105    0.4328
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0056      0.0024    0.0026    0.0132

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.1683         6.9480
# Chi-squares at the beginning and the end of the refinement
    0.3039    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -2   -5   -0.0127   -0.1795   -0.0133   -0.1793    0.0006    1
    3   -1   -2    5   -0.0251    0.0828   -0.0241    0.0824    0.0011    1
    4    1   -4   -3   -0.1917   -0.5931   -0.1976   -0.5890    0.0073    1
    5    1    0   -3    0.0602   -0.2284    0.0566   -0.2258    0.0045    1
    6   -1   -4    3   -0.1029    0.1133   -0.1046    0.1173    0.0043    1
    7    1   -1   -2    0.1304   -0.5976    0.1201   -0.5972    0.0103    1
    8    1    1   -2    0.1488   -0.2221    0.1441   -0.2219    0.0047    1
    9   -1   -6    1   -0.1889    0.0467   -0.1940    0.0483    0.0054    1
   10    1    2   -1    0.2283   -0.1257    0.2267   -0.1283    0.0031    1
   11    1    0   -1    0.5428   -0.5981    0.5314   -0.6143    0.0197    1
   12   -1   -7    0   -0.1922   -0.0020   -0.1815   -0.0378    0.0374    0
   13    1    3    0    0.1979   -0.0076    0.1981   -0.0091    0.0015    1
   14    2    3   -1    0.4376   -0.1524    0.5323   -0.1459    0.0950    0
   15    0   -3   -1   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16    1    4    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    1    0    0.7161   -0.0744    0.7260   -0.0804    0.0115    1
   18    2    0   -1    0.9097   -0.5579    1.0655   -0.4953    0.1679    0
   19    1    6    3    0.0426    0.0284    0.0407    0.0272    0.0022    1
   20    1    2    1    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21    0   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2    3    0.2952    0.3270    0.2970    0.3320    0.0053    1
   23    0    0    1    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7303   -0.0542   -0.7289   -0.0565    0.0026    1
    2    1   -2   -5   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -1   -2    5   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4    1   -4   -3   -0.1960   -0.5877   -0.1976   -0.5890    0.0021    1
    5    1    0   -3    0.0571   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1   -4    3   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7    1   -1   -2    0.1209   -0.5975    0.1201   -0.5972    0.0009    1
    8    1    1   -2    0.1449   -0.2226    0.1441   -0.2219    0.0010    1
    9   -1   -6    1   -0.1923    0.0481   -0.1940    0.0483    0.0017    1
   10    1    2   -1    0.2267   -0.1282    0.2267   -0.1283    0.0001    1
   11    1    0   -1    0.5365   -0.6122    0.5314   -0.6143    0.0055    1
   12   -1   -7    0   -0.1954   -0.0020   -0.1815   -0.0378    0.0384    0
   13    1    3    0    0.1979   -0.0088    0.1981   -0.0091    0.0004    1
   14    2    3   -1    0.4398   -0.1577    0.5323   -0.1459    0.0933    0
   15    0   -3   -1   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16    1    4    1    0.1254    0.0350    0.1256    0.0356    0.0007    1
   17    1    1    0    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18    3    0   -1    1.0585   -0.5056    1.0655   -0.4953    0.0125    1
   19    1    6    3    0.0426    0.0277    0.0407    0.0272    0.0019    1
   20    1    2    1    0.4411    0.1639    0.4436    0.1639    0.0024    1
   21    0   -1   -1   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1    2    3    0.2950    0.3298    0.2970    0.3320    0.0030    1
   23    0    0    1    0.0345    0.2667    0.0342    0.2676    0.0010    1

###            No.137                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1042    0.5455    1.7362   90.5264  106.9873   90.4000      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0960    0.5504    1.7430   90.0000  108.0102   90.0000      0.0000         0.6288    0.3158
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0086    0.0099    0.0883    0.0000    1.3791    0.0000      0.0000         0.0321    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9116    0.1898    0.1727)
 a2 = (   -0.4217    1.7336    0.4227)
 a3 = (    0.0955   -0.1117    0.5841)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9241    0.1910    0.1735) (    0.0019    0.0070    0.0109)
 a2 = (   -0.4321    1.7156    0.4131) (    0.0131    0.0305    0.0164)
 a3 = (    0.1077   -0.1132    0.5827) (    0.0118    0.0109    0.0296)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   38.4904   16.8870  -25.5906    1.4197    0.6779    1.4786
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0002   -0.0019      0.0033    0.0031    0.0509

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.0058         6.6343
# Chi-squares at the beginning and the end of the refinement
    0.1019    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2    2    2   -1   -0.0326   -0.1460   -0.0133   -0.1793    0.0386    0
    3    0   -1    1   -0.0227    0.0811   -0.0241    0.0824    0.0019    1
    4    1    1    1   -0.1905   -0.5895   -0.1976   -0.5890    0.0072    1
    5    0    1    0    0.0560   -0.2302    0.0566   -0.2258    0.0044    1
    6    1   -1    1   -0.0998    0.1157   -0.1046    0.1173    0.0051    1
    7    0    1    1    0.1200   -0.5966    0.1201   -0.5972    0.0006    1
    8   -2    2    1    0.1802   -0.2086    0.1441   -0.2219    0.0385    0
    9    4   -1    1   -0.1916    0.0500   -0.1940    0.0483    0.0030    1
   10   -2    1    1    0.2307   -0.1333    0.2267   -0.1283    0.0064    1
   11   -1    1    2    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1    0    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -4    1    2    0.2238   -0.0433    0.1981   -0.0091    0.0428    0
   14   -3    1    3    0.5328   -0.1539    0.5323   -0.1459    0.0080    1
   15    4    1    1   -0.3376   -0.2421   -0.3358   -0.2354    0.0070    1
   16   -2    0    1    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17   -4    1    5    0.7289   -0.0844    0.7260   -0.0804    0.0050    1
   18   -2    1    4    1.0472   -0.5100    1.0655   -0.4953    0.0234    1
   19   -4   -2    3    0.0200    0.0363    0.0407    0.0272    0.0226    0
   20   -1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    2    1   -1   -0.0361   -0.0615   -0.0357   -0.0605    0.0010    1
   22   -4   -1    5    0.2945    0.3271    0.2970    0.3320    0.0055    1
   23   -1   -1    2    0.0365    0.2617    0.0342    0.2676    0.0063    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7302   -0.0552   -0.7289   -0.0565    0.0019    1
    2    2    2   -1   -0.0321   -0.1437   -0.0133   -0.1793    0.0403    0
    3    0   -1    1   -0.0253    0.0853   -0.0241    0.0824    0.0032    1
    4    1    1    1   -0.1966   -0.5877   -0.1976   -0.5890    0.0016    1
    5    0    1    0    0.0570   -0.2270    0.0566   -0.2258    0.0013    1
    6    1   -1    1   -0.1044    0.1165   -0.1046    0.1173    0.0008    1
    7    0    1    1    0.1210   -0.5983    0.1201   -0.5972    0.0014    1
    8   -2    2    1    0.1798   -0.2030    0.1441   -0.2219    0.0405    0
    9    4   -1    1   -0.1922    0.0481   -0.1940    0.0483    0.0019    1
   10   -2    1    1    0.2274   -0.1280    0.2267   -0.1283    0.0008    1
   11   -1    1    2    0.5376   -0.6121    0.5314   -0.6143    0.0065    1
   12    1    0    0   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13   -4    1    2    0.2189   -0.0408    0.1981   -0.0091    0.0379    0
   14   -3    1    3    0.5294   -0.1478    0.5323   -0.1459    0.0035    1
   15    4    1    1   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -2    0    1    0.1255    0.0356    0.1256    0.0356    0.0001    1
   17   -4    1    5    0.7263   -0.0782    0.7260   -0.0804    0.0021    1
   18   -2    1    4    1.0583   -0.5043    1.0655   -0.4953    0.0115    1
   19   -4   -2    3    0.0213    0.0384    0.0407    0.0272    0.0224    0
   20   -1    0    1    0.4410    0.1641    0.4436    0.1639    0.0026    1
   21    2    1   -1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22   -4   -1    5    0.2953    0.3298    0.2970    0.3320    0.0027    1
   23   -1   -1    2    0.0346    0.2673    0.0342    0.2676    0.0006    1

###            No.138                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0955    0.5509    1.7412   91.8253  107.7543   90.8431      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0960    0.5504    1.7430   90.0000  108.0102   90.0000      0.0000         0.6288    0.3158
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0086    0.0099    0.0883    0.0000    1.3791    0.0000      0.0000         0.0321    0.0139
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9296   -0.1671   -0.1652)
 a2 = (   -0.4299    1.7163    0.4118)
 a3 = (   -0.1118    0.1349   -0.5775)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9241   -0.1910   -0.1735) (    0.0019    0.0070    0.0109)
 a2 = (   -0.4321    1.7156    0.4131) (    0.0131    0.0305    0.0164)
 a3 = (   -0.1077    0.1132   -0.5827) (    0.0118    0.0109    0.0296)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -38.4904  163.1130  154.4094    1.4197    0.6779    1.4786
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0002   -0.0019      0.0033    0.0031    0.0509

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.1790         6.6343
# Chi-squares at the beginning and the end of the refinement
    0.7917    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7125   -0.0220   -0.7289   -0.0565    0.0382    0
    2   -2    2    1   -0.0320   -0.1405   -0.0133   -0.1793    0.0431    0
    3    0   -1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    1   -1   -0.2057   -0.5883   -0.1976   -0.5890    0.0082    1
    5    0    1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1   -1   -0.0973    0.1114   -0.1046    0.1173    0.0093    1
    7    0    1   -1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8    2    2   -1    0.1792   -0.2037    0.1441   -0.2219    0.0396    0
    9   -4   -1   -1   -0.1802    0.0500   -0.1940    0.0483    0.0140    1
   10    2    1   -1    0.2278   -0.1305    0.2267   -0.1283    0.0025    1
   11    1    1   -2    0.5439   -0.6126    0.5314   -0.6143    0.0126    1
   12   -1    0    0   -0.1722   -0.0310   -0.1815   -0.0378    0.0116    1
   13    4    1   -2    0.2221   -0.0440    0.1981   -0.0091    0.0423    0
   14    3    1   -3    0.5299   -0.1489    0.5323   -0.1459    0.0038    1
   15   -4    1   -1   -0.3375   -0.2234   -0.3358   -0.2354    0.0122    1
   16    2    0   -1    0.1318    0.0354    0.1256    0.0356    0.0062    1
   17    4    1   -5    0.7272   -0.0756    0.7260   -0.0804    0.0049    1
   18    2    1   -4    1.0737   -0.4911    1.0655   -0.4953    0.0092    1
   19    4   -2   -3    0.0234    0.0419    0.0407    0.0272    0.0226    0
   20    1    0   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -2    1    1   -0.0334   -0.0553   -0.0357   -0.0605    0.0057    1
   22    4   -1   -5    0.2946    0.3303    0.2970    0.3320    0.0029    1
   23    1   -1   -2    0.0338    0.2640    0.0342    0.2676    0.0036    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7302   -0.0552   -0.7289   -0.0565    0.0019    1
    2   -2    2    1   -0.0321   -0.1437   -0.0133   -0.1793    0.0403    0
    3    0   -1   -1   -0.0253    0.0853   -0.0241    0.0824    0.0032    1
    4   -1    1   -1   -0.1966   -0.5877   -0.1976   -0.5890    0.0016    1
    5    0    1    0    0.0570   -0.2270    0.0566   -0.2258    0.0013    1
    6   -1   -1   -1   -0.1044    0.1165   -0.1046    0.1173    0.0008    1
    7    0    1   -1    0.1210   -0.5983    0.1201   -0.5972    0.0014    1
    8    2    2   -1    0.1798   -0.2030    0.1441   -0.2219    0.0405    0
    9   -4   -1   -1   -0.1922    0.0481   -0.1940    0.0483    0.0019    1
   10    2    1   -1    0.2274   -0.1280    0.2267   -0.1283    0.0008    1
   11    1    1   -2    0.5376   -0.6121    0.5314   -0.6143    0.0065    1
   12   -1    0    0   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13    4    1   -2    0.2189   -0.0408    0.1981   -0.0091    0.0379    0
   14    3    1   -3    0.5294   -0.1478    0.5323   -0.1459    0.0035    1
   15   -4    1   -1   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16    2    0   -1    0.1255    0.0356    0.1256    0.0356    0.0001    1
   17    4    1   -5    0.7263   -0.0782    0.7260   -0.0804    0.0021    1
   18    2    1   -4    1.0583   -0.5043    1.0655   -0.4953    0.0115    1
   19    4   -2   -3    0.0213    0.0384    0.0407    0.0272    0.0224    0
   20    1    0   -1    0.4410    0.1641    0.4436    0.1639    0.0026    1
   21   -2    1    1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22    4   -1   -5    0.2953    0.3298    0.2970    0.3320    0.0027    1
   23    1   -1   -2    0.0346    0.2673    0.0342    0.2676    0.0006    1

###            No.140                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0992    0.5500    1.7421   90.4201  108.2975   90.1051      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0960    0.5504    1.7487   90.0000  108.5776   90.0000      0.0000         0.6268    0.3148
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0125    0.0080    0.0685    0.0000    1.9367    0.0000      0.0000         0.0282    0.0123
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8126    0.3002   -0.4096)
 a2 = (    0.4341   -1.7161   -0.4149)
 a3 = (   -0.1107    0.1080   -0.5845)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8164    0.3041   -0.4093) (    0.0104    0.0066    0.0177)
 a2 = (    0.4321   -1.7156   -0.4131) (    0.0143    0.0246    0.0139)
 a3 = (   -0.1077    0.1132   -0.5827) (    0.0131    0.0096    0.0256)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -118.1356  151.1735 -100.9666    0.7290    1.2219    0.9255
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0002   -0.0019      0.0033    0.0031    0.0509

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.4700         6.6343
# Chi-squares at the beginning and the end of the refinement
    0.0509    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -2   -0.7296   -0.0594   -0.7289   -0.0565    0.0030    1
    2    2   -2   -1   -0.0320   -0.1445   -0.0133   -0.1793    0.0395    0
    3    0    1   -1   -0.0255    0.0854   -0.0241    0.0824    0.0033    1
    4    1   -1   -2   -0.1956   -0.5871   -0.1976   -0.5890    0.0028    1
    5    0   -1    0    0.0575   -0.2272    0.0566   -0.2258    0.0017    1
    6    1    1   -2   -0.1050    0.1167   -0.1046    0.1173    0.0007    1
    7    0   -1   -1    0.1201   -0.5973    0.1201   -0.5972    0.0001    1
    8   -2   -2    1    0.1797   -0.2029    0.1441   -0.2219    0.0404    0
    9    4    1   -5   -0.1931    0.0481   -0.1940    0.0483    0.0010    1
   10   -2   -1    1    0.2271   -0.1281    0.2267   -0.1283    0.0005    1
   11   -1   -1   -1    0.5333   -0.6140    0.5314   -0.6143    0.0019    1
   12    1    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -4   -1    2    0.2187   -0.0410    0.1981   -0.0091    0.0379    0
   14   -3   -1    0    0.5296   -0.1504    0.5323   -0.1459    0.0052    1
   15    4   -1   -5   -0.3367   -0.2375   -0.3358   -0.2354    0.0023    1
   16   -2    0    1    0.1252    0.0355    0.1256    0.0356    0.0004    1
   17   -4   -1   -1    0.7286   -0.0831    0.7260   -0.0804    0.0038    1
   18   -2   -1   -2    1.0547   -0.5164    1.0655   -0.4953    0.0237    1
   19   -4    2    1    0.0209    0.0380    0.0407    0.0272    0.0225    0
   20   -1    0    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    2   -1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -4    1   -1    0.2970    0.3321    0.2970    0.3320    0.0001    1
   23   -1    1   -1    0.0338    0.2684    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -2   -0.7302   -0.0552   -0.7289   -0.0565    0.0019    1
    2    2   -2   -1   -0.0321   -0.1437   -0.0133   -0.1793    0.0403    0
    3    0    1   -1   -0.0253    0.0853   -0.0241    0.0824    0.0032    1
    4    1   -1   -2   -0.1966   -0.5877   -0.1976   -0.5890    0.0016    1
    5    0   -1    0    0.0570   -0.2270    0.0566   -0.2258    0.0013    1
    6    1    1   -2   -0.1044    0.1165   -0.1046    0.1173    0.0008    1
    7    0   -1   -1    0.1210   -0.5983    0.1201   -0.5972    0.0014    1
    8   -2   -2    1    0.1798   -0.2030    0.1441   -0.2219    0.0405    0
    9    4    1   -5   -0.1922    0.0481   -0.1940    0.0483    0.0019    1
   10   -2   -1    1    0.2274   -0.1280    0.2267   -0.1283    0.0008    1
   11   -1   -1   -1    0.5376   -0.6121    0.5314   -0.6143    0.0065    1
   12    1    0   -1   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13   -4   -1    2    0.2189   -0.0408    0.1981   -0.0091    0.0379    0
   14   -3   -1    0    0.5294   -0.1478    0.5323   -0.1459    0.0035    1
   15    4   -1   -5   -0.3365   -0.2362   -0.3358   -0.2354    0.0011    1
   16   -2    0    1    0.1255    0.0356    0.1256    0.0356    0.0001    1
   17   -4   -1   -1    0.7263   -0.0782    0.7260   -0.0804    0.0021    1
   18   -2   -1   -2    1.0583   -0.5043    1.0655   -0.4953    0.0115    1
   19   -4    2    1    0.0213    0.0384    0.0407    0.0272    0.0224    0
   20   -1    0    0    0.4410    0.1641    0.4436    0.1639    0.0026    1
   21    2   -1   -1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22   -4    1   -1    0.2953    0.3298    0.2970    0.3320    0.0027    1
   23   -1    1   -1    0.0346    0.2673    0.0342    0.2676    0.0006    1

###            No.142                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.4788    1.4364    1.4548   88.0926   90.4102   90.0468      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.4787    1.4308    1.4601   90.0000   89.5755   90.0000      0.0000         0.3278    0.9799
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.0211    0.1182    0.0000    2.4629    0.0000      0.0000         0.0264    0.0791
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4943   -1.9734   -0.4730)
 a2 = (   -0.6645   -0.1885    0.0902)
 a3 = (   -0.1032    0.1290   -0.6676)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4983   -1.9742   -0.4676) (    0.0128    0.0089    0.0406)
 a2 = (   -0.6669   -0.1894    0.0888) (    0.0100    0.0051    0.0053)
 a3 = (   -0.1249    0.1303   -0.6607) (    0.0119    0.0112    0.0558)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.4281  165.0881 -135.4116    1.4665    1.1695    1.5044
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003   -0.0162      0.0024    0.0031    0.0888

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7808         6.5082
# Chi-squares at the beginning and the end of the refinement
    0.0637    0.0176
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -1   -1    0   -0.0139   -0.1760   -0.0133   -0.1793    0.0034    1
    3    1    0   -1   -0.0243    0.0857   -0.0241    0.0824    0.0033    1
    4   -2   -3   -3   -0.1878   -0.5894   -0.1976   -0.5890    0.0098    1
    5   -1    0    0    0.0565   -0.2255    0.0566   -0.2258    0.0003    1
    6    2   -3   -3   -0.1034    0.1184   -0.1046    0.1173    0.0016    1
    7   -1    0   -1    0.1255   -0.5918    0.1201   -0.5972    0.0076    1
    8   -1    1    0    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1   -6   -3   -0.1937    0.0497   -0.1940    0.0483    0.0014    1
   10   -1    3    0    0.2263   -0.1281    0.2267   -0.1283    0.0004    1
   11   -2    3   -3    0.5341   -0.5984    0.5314   -0.6143    0.0161    1
   12    0   -3   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1    7    0    0.2112   -0.0268    0.1981   -0.0091    0.0220    0
   14   -1    5   -2    0.5983   -0.1281    0.5323   -0.1459    0.0684    0
   15   -1   -6   -3   -0.3368   -0.2407   -0.3358   -0.2354    0.0054    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    6   -3    0.7147   -0.0781    0.7260   -0.0804    0.0116    1
   18   -1    3   -3    1.0337   -0.4846    1.0655   -0.4953    0.0335    1
   19    1    6    0    0.0109    0.0097    0.0407    0.0272    0.0346    0
   20    0    3   -1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -1   -3    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1    6   -3    0.2953    0.3239    0.2970    0.3320    0.0082    1
   23    2    3   -3    0.0377    0.2656    0.0342    0.2676    0.0041    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7297   -0.0548   -0.7289   -0.0565    0.0019    1
    2   -1   -1    0   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3    1    0   -1   -0.0252    0.0854   -0.0241    0.0824    0.0032    1
    4   -2   -3   -3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    0    0    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6    2   -3   -3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    0   -1    0.1212   -0.5976    0.1201   -0.5972    0.0011    1
    8   -1    1    0    0.1452   -0.2224    0.1441   -0.2219    0.0012    1
    9    1   -6   -3   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10   -1    3    0    0.2268   -0.1279    0.2267   -0.1283    0.0005    1
   11   -2    3   -3    0.5367   -0.6118    0.5314   -0.6143    0.0058    1
   12    0   -3   -1   -0.1807   -0.0376   -0.1815   -0.0378    0.0009    1
   13   -1    6    0    0.2185   -0.0410    0.1981   -0.0091    0.0378    0
   14   -1    6   -2    0.5452   -0.0744    0.5323   -0.1459    0.0727    0
   15   -1   -6   -3   -0.3365   -0.2365   -0.3358   -0.2354    0.0013    1
   16    0    1    0    0.1254    0.0352    0.1256    0.0356    0.0005    1
   17   -1    6   -3    0.7263   -0.0790    0.7260   -0.0804    0.0013    1
   18   -1    3   -3    1.0578   -0.5058    1.0655   -0.4953    0.0130    1
   19    1    6    0    0.0107    0.0090    0.0407    0.0272    0.0351    0
   20    0    3   -1    0.4412    0.1639    0.4436    0.1639    0.0023    1
   21   -1   -3    0   -0.0350   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    6   -3    0.2954    0.3301    0.2970    0.3320    0.0025    1
   23    2    3   -3    0.0345    0.2672    0.0342    0.2676    0.0006    1

###            No.143                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.4788    1.4548    1.4364   88.0926   90.0468   90.4102      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.4806    1.4485    1.4363   90.0000   90.0005   90.0000      0.0000         0.3346    1.0085
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0574    0.0211    0.0000    0.8362    0.0000      0.0000         0.0049    0.0424
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4943    1.9734    0.4730)
 a2 = (    0.1032   -0.1290    0.6676)
 a3 = (    0.6645    0.1885   -0.0902)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4955    1.9647    0.4722) (    0.0189    0.0059    0.0139)
 a2 = (    0.1258   -0.1285    0.6665) (    0.0086    0.0083    0.0254)
 a3 = (    0.6642    0.1889   -0.0890) (    0.0102    0.0064    0.0043)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.2299   97.3442  105.8753    0.3993    0.3214    0.5590
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003   -0.0001   -0.0028      0.0023    0.0028    0.0409

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7808         6.5010
# Chi-squares at the beginning and the end of the refinement
    1.6836    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    1    0    1   -0.0139   -0.1760   -0.0133   -0.1793    0.0034    1
    3   -1    1    0   -0.0243    0.0857   -0.0241    0.0824    0.0033    1
    4    2    3    3   -0.1878   -0.5894   -0.1976   -0.5890    0.0098    1
    5    1    0    0    0.0565   -0.2255    0.0566   -0.2258    0.0003    1
    6   -2    3    3   -0.1034    0.1184   -0.1046    0.1173    0.0016    1
    7    1    1    0    0.1255   -0.5918    0.1201   -0.5972    0.0076    1
    8    1    0   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1    3    6   -0.1937    0.0497   -0.1940    0.0483    0.0014    1
   10    1    0   -3    0.2263   -0.1281    0.2267   -0.1283    0.0004    1
   11    2    3   -3    0.5341   -0.5984    0.5314   -0.6143    0.0161    1
   12    0    1    3   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    0   -7    0.2112   -0.0268    0.1981   -0.0091    0.0220    0
   14    1    2   -5    0.5983   -0.1281    0.5323   -0.1459    0.0684    0
   15    1    3    6   -0.3368   -0.2407   -0.3358   -0.2354    0.0054    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3   -6    0.7147   -0.0781    0.7260   -0.0804    0.0116    1
   18    1    3   -3    1.0337   -0.4846    1.0655   -0.4953    0.0335    1
   19   -1    0   -6    0.0109    0.0097    0.0407    0.0272    0.0346    0
   20    0    1   -3    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1    0    3   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22   -1    3   -6    0.2953    0.3239    0.2970    0.3320    0.0082    1
   23   -2    3   -3    0.0377    0.2656    0.0342    0.2676    0.0041    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7284   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1    0    1   -0.0136   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -1    1    0   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    2    3    3   -0.1966   -0.5871   -0.1976   -0.5890    0.0022    1
    5    1    0    0    0.0575   -0.2267    0.0566   -0.2258    0.0013    1
    6   -2    3    3   -0.1045    0.1168   -0.1046    0.1173    0.0005    1
    7    1    1    0    0.1207   -0.5978    0.1201   -0.5972    0.0008    1
    8    1    0   -1    0.1454   -0.2223    0.1441   -0.2219    0.0014    1
    9   -1    3    6   -0.1926    0.0482   -0.1940    0.0483    0.0015    1
   10    1    0   -3    0.2268   -0.1273    0.2267   -0.1283    0.0010    1
   11    2    3   -3    0.5363   -0.6125    0.5314   -0.6143    0.0052    1
   12    0    1    3   -0.1810   -0.0376   -0.1815   -0.0378    0.0006    1
   13    1    0   -6    0.2181   -0.0405    0.1981   -0.0091    0.0372    0
   14    1    2   -6    0.5450   -0.0741    0.5323   -0.1459    0.0730    0
   15    1    3    6   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    0   -1    0.1247    0.0353    0.1256    0.0356    0.0010    1
   17    1    3   -6    0.7264   -0.0790    0.7260   -0.0804    0.0014    1
   18    1    3   -3    1.0582   -0.5076    1.0655   -0.4953    0.0144    1
   19   -1    0   -6    0.0103    0.0087    0.0407    0.0272    0.0357    0
   20    0    1   -3    0.4408    0.1639    0.4436    0.1639    0.0028    1
   21    1    0    3   -0.0353   -0.0603   -0.0357   -0.0605    0.0005    1
   22   -1    3   -6    0.2952    0.3299    0.2970    0.3320    0.0028    1
   23   -2    3   -3    0.0345    0.2671    0.0342    0.2676    0.0006    1

###            No.144                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9574    0.7781    1.3425   90.0836   90.5957   89.9992      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9526    0.7778    1.3496   90.0000   90.2594   90.0000      0.0000         0.7058    0.5763
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0183    0.0306    0.0000    0.9539    0.0000      0.0000         0.0160    0.0145
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6106   -0.2838   -0.7986)
 a2 = (   -1.0318   -0.0738   -0.7627)
 a3 = (    0.0911    0.7134   -0.1941)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6126   -0.2916   -0.8011) (    0.0063    0.0096    0.0049)
 a2 = (   -1.0327   -0.0762   -0.7620) (    0.0293    0.0114    0.0124)
 a3 = (    0.0904    0.7095   -0.1935) (    0.0085    0.0171    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -127.8353  104.9348  172.9022    0.4473    0.6122    0.4504
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0006   -0.0008    0.0054      0.0037    0.0027    0.0124

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.3972         4.9364
# Chi-squares at the beginning and the end of the refinement
    0.1238    0.0733
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2   -1   -1    5   -0.0320   -0.1434   -0.0133   -0.1793    0.0405    0
    3    2   -1   -6   -0.0219    0.0613   -0.0241    0.0824    0.0213    0
    4   -1   -1    2   -0.1995   -0.5900   -0.1976   -0.5890    0.0021    1
    5   -1    0    2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1   -2   -0.1069    0.1198   -0.1046    0.1173    0.0034    1
    7   -3   -1    4    0.0717   -0.6221    0.1201   -0.5972    0.0544    0
    8   -3    1    3    0.1788   -0.2014    0.1441   -0.2219    0.0403    0
    9    2   -3   -1   -0.1971    0.0494   -0.1940    0.0483    0.0032    1
   10   -2    1    1    0.2258   -0.1261    0.2267   -0.1283    0.0024    1
   11   -2    0    1    0.5434   -0.6159    0.5314   -0.6143    0.0120    1
   12    1   -2    1   -0.1846   -0.0385   -0.1815   -0.0378    0.0032    1
   13   -3    2    0    0.2163   -0.0391    0.1981   -0.0091    0.0351    0
   14   -3    1    0    0.5311   -0.1442    0.5323   -0.1459    0.0021    1
   15    0   -1    1   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16   -1    1   -1    0.1223    0.0355    0.1256    0.0356    0.0033    1
   17   -4    1   -1    0.7295   -0.0712    0.7260   -0.0804    0.0098    1
   18   -1    0    0    1.0754   -0.4999    1.0655   -0.4953    0.0110    1
   19   -1    2   -5    0.0353    0.0387    0.0407    0.0272    0.0127    1
   20   -2    1   -2    0.4378    0.1677    0.4436    0.1639    0.0070    1
   21    0   -1    3   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1   -5    0.2913    0.3305    0.2970    0.3320    0.0059    1
   23    0    0   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7293   -0.0546   -0.7289   -0.0565    0.0019    1
    2   -1   -1    5   -0.0315   -0.1449   -0.0133   -0.1793    0.0390    0
    3    1    0   -6   -0.0006    0.0780   -0.0241    0.0824    0.0239    0
    4   -1   -1    2   -0.1972   -0.5888   -0.1976   -0.5890    0.0004    1
    5   -1    0    2    0.0577   -0.2271    0.0566   -0.2258    0.0017    1
    6    1   -1   -2   -0.1047    0.1167   -0.1046    0.1173    0.0006    1
    7   -3   -1    4    0.0730   -0.6199    0.1201   -0.5972    0.0523    0
    8   -3    1    3    0.1795   -0.2023    0.1441   -0.2219    0.0405    0
    9    2   -3   -1   -0.1933    0.0480   -0.1940    0.0483    0.0008    1
   10   -2    1    1    0.2262   -0.1274    0.2267   -0.1283    0.0011    1
   11   -2    0    1    0.5379   -0.6129    0.5314   -0.6143    0.0066    1
   12    1   -2    1   -0.1819   -0.0383   -0.1815   -0.0378    0.0006    1
   13   -3    2    0    0.2172   -0.0408    0.1981   -0.0091    0.0370    0
   14   -3    1    0    0.5284   -0.1476    0.5323   -0.1459    0.0043    1
   15    0   -1    1   -0.3374   -0.2372   -0.3358   -0.2354    0.0024    1
   16   -1    1   -1    0.1238    0.0343    0.1256    0.0356    0.0022    1
   17   -4    1   -1    0.7259   -0.0780    0.7260   -0.0804    0.0023    1
   18   -1    0    0    1.0609   -0.5055    1.0655   -0.4953    0.0112    1
   19   -1    2   -5    0.0361    0.0380    0.0407    0.0272    0.0117    1
   20   -2    1   -2    0.4396    0.1634    0.4436    0.1639    0.0040    1
   21    0   -1    3   -0.0353   -0.0614   -0.0357   -0.0605    0.0009    1
   22   -2    1   -5    0.2943    0.3288    0.2970    0.3320    0.0042    1
   23    0    0   -1    0.0346    0.2662    0.0342    0.2676    0.0015    1

###            No.145                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7781    1.3425    0.9574   90.5957   89.9992   90.0836      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7773    1.3472    0.9550   90.0000   89.6668   90.0000      0.0000         0.8140    1.4107
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0002    0.0379    0.0213    0.0000    1.9454    0.0000      0.0000         0.0182    0.0400
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.0318   -0.0738   -0.7627)
 a2 = (    0.0911    0.7134   -0.1941)
 a3 = (    0.6106   -0.2838   -0.7986)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0360   -0.0757   -0.7590) (    0.0131    0.0141    0.0170)
 a2 = (    0.0891    0.7113   -0.1926) (    0.0073    0.0206    0.0043)
 a3 = (    0.6129   -0.2926   -0.7971) (    0.0218    0.0098    0.0200)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -113.7359  139.8730   64.2765    0.6355    0.9876    0.6694
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0008   -0.0007   -0.0010      0.0035    0.0031    0.0332

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.3972         4.9081
# Chi-squares at the beginning and the end of the refinement
    0.1140    0.0749
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2   -1    5   -1   -0.0320   -0.1434   -0.0133   -0.1793    0.0405    0
    3   -1   -6    2   -0.0219    0.0613   -0.0241    0.0824    0.0213    0
    4   -1    2   -1   -0.1995   -0.5900   -0.1976   -0.5890    0.0021    1
    5    0    2   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -2    1   -0.1069    0.1198   -0.1046    0.1173    0.0034    1
    7   -1    4   -3    0.0717   -0.6221    0.1201   -0.5972    0.0544    0
    8    1    3   -3    0.1788   -0.2014    0.1441   -0.2219    0.0403    0
    9   -3   -1    2   -0.1971    0.0494   -0.1940    0.0483    0.0032    1
   10    1    1   -2    0.2258   -0.1261    0.2267   -0.1283    0.0024    1
   11    0    1   -2    0.5434   -0.6159    0.5314   -0.6143    0.0120    1
   12   -2    1    1   -0.1846   -0.0385   -0.1815   -0.0378    0.0032    1
   13    2    0   -3    0.2163   -0.0391    0.1981   -0.0091    0.0351    0
   14    1    0   -3    0.5311   -0.1442    0.5323   -0.1459    0.0021    1
   15   -1    1    0   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16    1   -1   -1    0.1223    0.0355    0.1256    0.0356    0.0033    1
   17    1   -1   -4    0.7295   -0.0712    0.7260   -0.0804    0.0098    1
   18    0    0   -1    1.0754   -0.4999    1.0655   -0.4953    0.0110    1
   19    2   -5   -1    0.0353    0.0387    0.0407    0.0272    0.0127    1
   20    1   -2   -2    0.4378    0.1677    0.4436    0.1639    0.0070    1
   21   -1    3    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -5   -2    0.2913    0.3305    0.2970    0.3320    0.0059    1
   23    0   -1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7287   -0.0540   -0.7289   -0.0565    0.0025    1
    2   -1    5   -1   -0.0311   -0.1450   -0.0133   -0.1793    0.0387    0
    3    0   -6    1   -0.0005    0.0779   -0.0241    0.0824    0.0240    0
    4   -1    2   -1   -0.1967   -0.5889   -0.1976   -0.5890    0.0009    1
    5    0    2   -1    0.0581   -0.2267    0.0566   -0.2258    0.0017    1
    6   -1   -2    1   -0.1045    0.1167   -0.1046    0.1173    0.0006    1
    7   -1    4   -3    0.0735   -0.6194    0.1201   -0.5972    0.0517    0
    8    1    3   -3    0.1793   -0.2018    0.1441   -0.2219    0.0406    0
    9   -3   -1    2   -0.1933    0.0482   -0.1940    0.0483    0.0007    1
   10    1    1   -2    0.2258   -0.1272    0.2267   -0.1283    0.0015    1
   11    0    1   -2    0.5373   -0.6126    0.5314   -0.6143    0.0061    1
   12   -2    1    1   -0.1821   -0.0383   -0.1815   -0.0378    0.0008    1
   13    2    0   -3    0.2169   -0.0409    0.1981   -0.0091    0.0369    0
   14    1    0   -3    0.5281   -0.1479    0.5323   -0.1459    0.0046    1
   15   -1    1    0   -0.3376   -0.2374   -0.3358   -0.2354    0.0027    1
   16    1   -1   -1    0.1237    0.0342    0.1256    0.0356    0.0024    1
   17    1   -1   -4    0.7263   -0.0785    0.7260   -0.0804    0.0019    1
   18    0    0   -1    1.0610   -0.5068    1.0655   -0.4953    0.0124    1
   19    2   -5   -1    0.0361    0.0378    0.0407    0.0272    0.0115    1
   20    1   -2   -2    0.4399    0.1636    0.4436    0.1639    0.0037    1
   21   -1    3    0   -0.0351   -0.0617   -0.0357   -0.0605    0.0013    1
   22    1   -5   -2    0.2941    0.3293    0.2970    0.3320    0.0039    1
   23    0   -1    0    0.0342    0.2661    0.0342    0.2676    0.0016    1

###            No.146                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1031    0.5439    1.7353   89.5283  106.1440   90.8869      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0951    0.5450    1.7587   90.0000  107.6955   90.0000      0.0000         0.6227    0.3099
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0219    0.0136    0.0857    0.0000    3.5876    0.0000      0.0000         0.0411    0.0212
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1589   -0.7903   -0.4910)
 a2 = (   -1.7485   -0.5221    0.2257)
 a3 = (   -0.1118    0.1349   -0.5738)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1633   -0.8063   -0.4919) (    0.0112    0.0184    0.0333)
 a2 = (   -1.7509   -0.4967    0.2328) (    0.0467    0.0133    0.0110)
 a3 = (   -0.1088    0.1136   -0.5758) (    0.0094    0.0114    0.0399)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -76.1158  148.0842 -152.3141    0.5753    2.3742    0.7039
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0002   -0.0201      0.0032    0.0032    0.0943

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.0200         4.8731
# Chi-squares at the beginning and the end of the refinement
    0.4713    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -3   -0.7154   -0.0404   -0.7289   -0.0565    0.0210    1
    2   -4   -1    2   -0.0320   -0.1422   -0.0133   -0.1793    0.0415    0
    3    1    0   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -4   -1   -1   -0.2009   -0.5823   -0.1976   -0.5890    0.0075    1
    5   -2    0    1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    4   -1   -5   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7   -1    0    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -4    1    2    0.1781   -0.1986    0.1441   -0.2219    0.0412    0
    9    1   -1   -2   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10   -2    1    1    0.2239   -0.1226    0.2267   -0.1283    0.0064    1
   11   -4    1   -1    0.5492   -0.6052    0.5314   -0.6143    0.0200    1
   12    0   -1   -1   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13   -2    2    1    0.2127   -0.0364    0.1981   -0.0091    0.0309    0
   14   -3    2   -1    0.5906   -0.1823    0.5323   -0.1459    0.0687    0
   15   -1   -1   -1   -0.3334   -0.2308   -0.3358   -0.2354    0.0052    1
   16    0    1    0    0.1185    0.0354    0.1256    0.0356    0.0071    1
   17   -1    1   -1    0.7147   -0.0531    0.7260   -0.0804    0.0295    1
   18   -2    1   -2    1.0802   -0.4623    1.0655   -0.4953    0.0361    1
   19    4    2   -3    0.0191    0.0348    0.0407    0.0272    0.0229    0
   20    0    1   -1    0.4207    0.1689    0.4436    0.1639    0.0234    0
   21   -2   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1   -2    0.2759    0.3195    0.2970    0.3320    0.0245    0
   23    4    1   -5    0.0325    0.2553    0.0342    0.2676    0.0124    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -3   -0.7299   -0.0550   -0.7289   -0.0565    0.0018    1
    2   -4   -1    2   -0.0321   -0.1438   -0.0133   -0.1793    0.0402    0
    3    1    0   -1   -0.0254    0.0853   -0.0241    0.0824    0.0031    1
    4   -4   -1   -1   -0.1965   -0.5878   -0.1976   -0.5890    0.0016    1
    5   -2    0    1    0.0571   -0.2270    0.0566   -0.2258    0.0013    1
    6    4   -1   -5   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7   -1    0    0    0.1210   -0.5981    0.1201   -0.5972    0.0013    1
    8   -4    1    2    0.1797   -0.2029    0.1441   -0.2219    0.0404    0
    9    1   -1   -2   -0.1921    0.0481   -0.1940    0.0483    0.0019    1
   10   -2    1    1    0.2271   -0.1280    0.2267   -0.1283    0.0005    1
   11   -4    1   -1    0.5369   -0.6119    0.5314   -0.6143    0.0059    1
   12    0   -1   -1   -0.1806   -0.0374   -0.1815   -0.0378    0.0011    1
   13   -2    2    1    0.2187   -0.0410    0.1981   -0.0091    0.0379    0
   14   -2    2   -1    0.5452   -0.0744    0.5323   -0.1459    0.0727    0
   15   -1   -1   -1   -0.3367   -0.2362   -0.3358   -0.2354    0.0012    1
   16    0    1    0    0.1254    0.0354    0.1256    0.0356    0.0003    1
   17   -1    1   -1    0.7261   -0.0791    0.7260   -0.0804    0.0013    1
   18   -2    1   -2    1.0573   -0.5054    1.0655   -0.4953    0.0131    1
   19    3    2   -2    0.0191    0.0247    0.0407    0.0272    0.0218    0
   20    0    1   -1    0.4412    0.1638    0.4436    0.1639    0.0023    1
   21   -2   -1    1   -0.0353   -0.0598   -0.0357   -0.0605    0.0008    1
   22    1    1   -2    0.2956    0.3299    0.2970    0.3320    0.0025    1
   23    4    1   -5    0.0345    0.2673    0.0342    0.2676    0.0005    1

###            No.147                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.1036    0.5434    1.7362   90.2473  106.1339   90.7733      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0951    0.5450    1.7587   90.0000  107.6955   90.0000      0.0000         0.6227    0.3099
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0219    0.0136    0.0857    0.0000    3.5876    0.0000      0.0000         0.0411    0.0212
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1589    0.7899    0.4908)
 a2 = (   -1.7610   -0.4745    0.2477)
 a3 = (    0.1117   -0.1348    0.5735)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1633    0.8063    0.4919) (    0.0112    0.0184    0.0333)
 a2 = (   -1.7509   -0.4967    0.2328) (    0.0467    0.0133    0.0110)
 a3 = (    0.1088   -0.1136    0.5758) (    0.0094    0.0114    0.0399)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.1158   31.9158   27.6859    0.5753    2.3742    0.7039
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0002   -0.0201      0.0032    0.0032    0.0943

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.0632         4.8731
# Chi-squares at the beginning and the end of the refinement
    0.3255    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    3   -0.7018   -0.0235   -0.7289   -0.0565    0.0427    0
    2    4   -1   -2   -0.0319   -0.1382   -0.0133   -0.1793    0.0451    0
    3   -1    0    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    4   -1    1   -0.2056   -0.5814   -0.1976   -0.5890    0.0110    1
    5    2    0   -1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -4   -1    5   -0.0970    0.1102   -0.1046    0.1173    0.0104    1
    7    1    0    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    4    1   -2    0.1787   -0.2016    0.1441   -0.2219    0.0402    0
    9   -1   -1    2   -0.1774    0.0484   -0.1940    0.0483    0.0166    1
   10    2    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    4    1    1    0.5426   -0.6056    0.5314   -0.6143    0.0141    1
   12    0   -1    1   -0.1684   -0.0306   -0.1815   -0.0378    0.0150    1
   13    2    2   -1    0.2204   -0.0427    0.1981   -0.0091    0.0403    0
   14    2    2    1    0.5404   -0.0719    0.5323   -0.1459    0.0745    0
   15    1   -1    1   -0.3322   -0.2189   -0.3358   -0.2354    0.0169    1
   16    0    1    0    0.1311    0.0353    0.1256    0.0356    0.0055    1
   17    1    1    1    0.7184   -0.0718    0.7260   -0.0804    0.0115    1
   18    2    1    2    1.0647   -0.4796    1.0655   -0.4953    0.0157    1
   19   -3    2    2    0.0230    0.0293    0.0407    0.0272    0.0178    0
   20    0    1    1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21    2   -1   -1   -0.0325   -0.0535   -0.0357   -0.0605    0.0077    1
   22   -1    1    2    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23   -4    1    5    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    3   -0.7299   -0.0550   -0.7289   -0.0565    0.0018    1
    2    4   -1   -2   -0.0321   -0.1438   -0.0133   -0.1793    0.0402    0
    3   -1    0    1   -0.0254    0.0853   -0.0241    0.0824    0.0031    1
    4    4   -1    1   -0.1965   -0.5878   -0.1976   -0.5890    0.0016    1
    5    2    0   -1    0.0571   -0.2270    0.0566   -0.2258    0.0013    1
    6   -4   -1    5   -0.1044    0.1164   -0.1046    0.1173    0.0009    1
    7    1    0    0    0.1210   -0.5981    0.1201   -0.5972    0.0013    1
    8    4    1   -2    0.1797   -0.2029    0.1441   -0.2219    0.0404    0
    9   -1   -1    2   -0.1921    0.0481   -0.1940    0.0483    0.0019    1
   10    2    1   -1    0.2271   -0.1280    0.2267   -0.1283    0.0005    1
   11    4    1    1    0.5369   -0.6119    0.5314   -0.6143    0.0059    1
   12    0   -1    1   -0.1806   -0.0374   -0.1815   -0.0378    0.0011    1
   13    2    2   -1    0.2187   -0.0410    0.1981   -0.0091    0.0379    0
   14    2    2    1    0.5452   -0.0744    0.5323   -0.1459    0.0727    0
   15    1   -1    1   -0.3367   -0.2362   -0.3358   -0.2354    0.0012    1
   16    0    1    0    0.1254    0.0354    0.1256    0.0356    0.0003    1
   17    1    1    1    0.7261   -0.0791    0.7260   -0.0804    0.0013    1
   18    2    1    2    1.0573   -0.5054    1.0655   -0.4953    0.0131    1
   19   -3    2    2    0.0191    0.0247    0.0407    0.0272    0.0218    0
   20    0    1    1    0.4412    0.1638    0.4436    0.1639    0.0023    1
   21    2   -1   -1   -0.0353   -0.0598   -0.0357   -0.0605    0.0008    1
   22   -1    1    2    0.2956    0.3299    0.2970    0.3320    0.0025    1
   23   -4    1    5    0.0345    0.2673    0.0342    0.2676    0.0005    1

###            No.148                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7781    0.9574    1.3425   90.5957   90.0836   89.9992      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7772    0.9533    1.3497   90.0000   89.8485   90.0000      0.0000         0.5758    0.7063
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0216    0.0336    0.0000    1.1907    0.0000      0.0000         0.0143    0.0159
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0318    0.0738    0.7627)
 a2 = (   -0.6106    0.2838    0.7986)
 a3 = (   -0.0911   -0.7134    0.1941)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0341    0.0791    0.7616) (    0.0056    0.0164    0.0079)
 a2 = (   -0.6116    0.2940    0.7999) (    0.0186    0.0104    0.0147)
 a3 = (   -0.0897   -0.7099    0.1923) (    0.0107    0.0181    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   37.8185   74.8674   -7.0816    0.4417    0.6389    0.5506
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0009   -0.0003    0.0036      0.0035    0.0028    0.0128

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.3972         4.8589
# Chi-squares at the beginning and the end of the refinement
    0.1943    0.0754
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2    1    1   -5   -0.0320   -0.1434   -0.0133   -0.1793    0.0405    0
    3    1   -2    6   -0.0219    0.0613   -0.0241    0.0824    0.0213    0
    4    1    1   -2   -0.1995   -0.5900   -0.1976   -0.5890    0.0021    1
    5    0    1   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1    2   -0.1069    0.1198   -0.1046    0.1173    0.0034    1
    7    1    3   -4    0.0717   -0.6221    0.1201   -0.5972    0.0544    0
    8   -1    3   -3    0.1788   -0.2014    0.1441   -0.2219    0.0403    0
    9    3   -2    1   -0.1971    0.0494   -0.1940    0.0483    0.0032    1
   10   -1    2   -1    0.2258   -0.1261    0.2267   -0.1283    0.0024    1
   11    0    2   -1    0.5434   -0.6159    0.5314   -0.6143    0.0120    1
   12    2   -1   -1   -0.1846   -0.0385   -0.1815   -0.0378    0.0032    1
   13   -2    3    0    0.2163   -0.0391    0.1981   -0.0091    0.0351    0
   14   -1    3    0    0.5311   -0.1442    0.5323   -0.1459    0.0021    1
   15    1    0   -1   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16   -1    1    1    0.1223    0.0355    0.1256    0.0356    0.0033    1
   17   -1    4    1    0.7295   -0.0712    0.7260   -0.0804    0.0098    1
   18    0    1    0    1.0754   -0.4999    1.0655   -0.4953    0.0110    1
   19   -2    1    5    0.0353    0.0387    0.0407    0.0272    0.0127    1
   20   -1    2    2    0.4378    0.1677    0.4436    0.1639    0.0070    1
   21    1    0   -3   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    2    5    0.2913    0.3305    0.2970    0.3320    0.0059    1
   23    0    0    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7287   -0.0560   -0.7289   -0.0565    0.0005    1
    2    1    1   -5   -0.0314   -0.1456   -0.0133   -0.1793    0.0383    0
    3    0   -1    6   -0.0004    0.0771   -0.0241    0.0824    0.0243    0
    4    1    1   -2   -0.1965   -0.5881   -0.1976   -0.5890    0.0014    1
    5    0    1   -2    0.0581   -0.2273    0.0566   -0.2258    0.0022    1
    6    1   -1    2   -0.1040    0.1167   -0.1046    0.1173    0.0008    1
    7    1    3   -4    0.0728   -0.6191    0.1201   -0.5972    0.0522    0
    8   -1    3   -3    0.1799   -0.2022    0.1441   -0.2219    0.0409    0
    9    3   -2    1   -0.1933    0.0484   -0.1940    0.0483    0.0007    1
   10   -1    2   -1    0.2264   -0.1271    0.2267   -0.1283    0.0013    1
   11    0    2   -1    0.5363   -0.6133    0.5314   -0.6143    0.0049    1
   12    2   -1   -1   -0.1823   -0.0382   -0.1815   -0.0378    0.0009    1
   13   -2    3    0    0.2172   -0.0404    0.1981   -0.0091    0.0366    0
   14   -1    3    0    0.5284   -0.1479    0.5323   -0.1459    0.0043    1
   15    1    0   -1   -0.3373   -0.2376   -0.3358   -0.2354    0.0027    1
   16   -1    1    1    0.1232    0.0347    0.1256    0.0356    0.0025    1
   17   -1    4    1    0.7264   -0.0789    0.7260   -0.0804    0.0015    1
   18    0    1    0    1.0594   -0.5090    1.0655   -0.4953    0.0151    1
   19   -2    1    5    0.0354    0.0375    0.0407    0.0272    0.0115    1
   20   -1    2    2    0.4395    0.1637    0.4436    0.1639    0.0041    1
   21    1    0   -3   -0.0356   -0.0621   -0.0357   -0.0605    0.0016    1
   22   -1    2    5    0.2937    0.3288    0.2970    0.3320    0.0046    1
   23    0    0    1    0.0344    0.2654    0.0342    0.2676    0.0023    1

###            No.149                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7792    1.3505    0.9503   90.0436   90.2340   90.2344      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7790    1.3500    0.9509   90.0000   90.3030   90.0000      0.0000         0.8191    1.4196
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0255    0.0195    0.0000    0.8330    0.0000      0.0000         0.0168    0.0307
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6501   -1.1029   -0.0900)
 a2 = (    0.4686   -0.3186    0.4766)
 a3 = (   -0.6155    0.2924    0.8019)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6518   -1.1025   -0.0882) (    0.0099    0.0058    0.0078)
 a2 = (    0.4703   -0.3163    0.4769) (    0.0120    0.0073    0.0079)
 a3 = (   -0.6151    0.2931    0.8010) (    0.0167    0.0115    0.0152)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -6.0923   40.3535 -115.9435    0.5419    0.4570    0.7279
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0007    0.0031      0.0027    0.0026    0.0138

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.6653         4.8571
# Chi-squares at the beginning and the end of the refinement
    0.0262    0.0168
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    0   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2   -2   -1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    3    3   -1   -0.0012    0.0786   -0.0241    0.0824    0.0232    0
    4   -3    1    2   -0.1967   -0.5921   -0.1976   -0.5890    0.0032    1
    5   -1   -1    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    5   -2   -0.1044    0.1171   -0.1046    0.1173    0.0003    1
    7   -2   -1    3    0.1699   -0.5693    0.1201   -0.5972    0.0570    0
    8   -1   -2    2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    5   -2   -0.1933    0.0492   -0.1940    0.0483    0.0012    1
   10    0   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1   -1    4    0.5400   -0.6135    0.5314   -0.6143    0.0086    1
   12   -2    5   -2   -0.1968   -0.0011   -0.1815   -0.0378    0.0397    0
   13    1   -2    2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    1   -2    4    0.5188   -0.0902    0.5323   -0.1459    0.0574    0
   15   -1    1    0   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16    1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    4    0.7291   -0.0785    0.7260   -0.0804    0.0036    1
   18    0    0    1    1.0630   -0.5050    1.0655   -0.4953    0.0100    1
   19    2   -1    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    2   -1    3    0.4488    0.1254    0.4436    0.1639    0.0388    0
   21   -1    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    3    1    2    0.2956    0.3315    0.2970    0.3320    0.0015    1
   23    1    1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    3    0   -0.7301   -0.0550   -0.7289   -0.0565    0.0019    1
    2   -2   -1    1   -0.0137   -0.1769   -0.0133   -0.1793    0.0025    1
    3    3    3   -1   -0.0013    0.0793   -0.0241    0.0824    0.0230    0
    4   -3    1    2   -0.1964   -0.5882   -0.1976   -0.5890    0.0015    1
    5   -1   -1    1    0.0571   -0.2263    0.0566   -0.2258    0.0007    1
    6    1    5   -2   -0.1053    0.1168   -0.1046    0.1173    0.0008    1
    7   -2   -1    3    0.1685   -0.5669    0.1201   -0.5972    0.0570    0
    8   -1   -2    2    0.1448   -0.2221    0.1441   -0.2219    0.0008    1
    9   -1    5   -2   -0.1929    0.0479   -0.1940    0.0483    0.0012    1
   10    0   -1    1    0.2262   -0.1277    0.2267   -0.1283    0.0008    1
   11   -1   -1    4    0.5371   -0.6114    0.5314   -0.6143    0.0063    1
   12   -2    5   -2   -0.1958   -0.0022   -0.1815   -0.0378    0.0384    0
   13    1   -2    2    0.1973   -0.0088    0.1981   -0.0091    0.0008    1
   14    1   -2    4    0.5162   -0.0901    0.5323   -0.1459    0.0581    0
   15   -1    1    0   -0.3368   -0.2366   -0.3358   -0.2354    0.0016    1
   16    1   -1    1    0.1252    0.0349    0.1256    0.0356    0.0008    1
   17    1   -1    4    0.7258   -0.0789    0.7260   -0.0804    0.0015    1
   18    0    0    1    1.0579   -0.5048    1.0655   -0.4953    0.0122    1
   19    2   -1    1    0.0425    0.0278    0.0407    0.0272    0.0019    1
   20    2   -1    3    0.4471    0.1240    0.4436    0.1639    0.0400    0
   21   -1    0    0   -0.0350   -0.0598   -0.0357   -0.0605    0.0010    1
   22    3    1    2    0.2958    0.3303    0.2970    0.3320    0.0021    1
   23    1    1    0    0.0343    0.2681    0.0342    0.2676    0.0005    1

###            No.150                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7792    0.9503    1.3505   90.0436   90.2344   90.2340      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7788    0.9512    1.3499   90.0000   90.0213   90.0000      0.0000         0.5769    0.7047
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0205    0.0276    0.0000    1.2866    0.0000      0.0000         0.0118    0.0152
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6501    1.1029    0.0900)
 a2 = (    0.6155   -0.2924   -0.8019)
 a3 = (   -0.4686    0.3186   -0.4766)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6496    1.1040    0.0899) (    0.0112    0.0069    0.0068)
 a2 = (    0.6131   -0.2955   -0.8012) (    0.0157    0.0106    0.0163)
 a3 = (   -0.4707    0.3161   -0.4768) (    0.0154    0.0103    0.0090)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  174.7514  130.0639 -123.8556    0.3970    0.4588    0.7406
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0001   -0.0003    0.0039      0.0026    0.0025    0.0139

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.6653         4.8236
# Chi-squares at the beginning and the end of the refinement
    0.0357    0.0217
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2    2   -1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -3    1   -3   -0.0012    0.0786   -0.0241    0.0824    0.0232    0
    4    3   -2   -1   -0.1967   -0.5921   -0.1976   -0.5890    0.0032    1
    5    1   -1    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    2   -5   -0.1044    0.1171   -0.1046    0.1173    0.0003    1
    7    2   -3    1    0.1699   -0.5693    0.1201   -0.5972    0.0570    0
    8    1   -2    2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1    2   -5   -0.1933    0.0492   -0.1940    0.0483    0.0012    1
   10    0   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1   -4    1    0.5400   -0.6135    0.5314   -0.6143    0.0086    1
   12    2    2   -5   -0.1968   -0.0011   -0.1815   -0.0378    0.0397    0
   13   -1   -2    2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -1   -4    2    0.5188   -0.0902    0.5323   -0.1459    0.0574    0
   15    1    0   -1   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16   -1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -4    1    0.7291   -0.0785    0.7260   -0.0804    0.0036    1
   18    0   -1    0    1.0630   -0.5050    1.0655   -0.4953    0.0100    1
   19   -2   -1    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -2   -3    1    0.4488    0.1254    0.4436    0.1639    0.0388    0
   21    1    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3   -2   -1    0.2956    0.3315    0.2970    0.3320    0.0015    1
   23   -1    0   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7303   -0.0555   -0.7289   -0.0565    0.0017    1
    2    2   -1    1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -3    1   -3   -0.0013    0.0783   -0.0241    0.0824    0.0232    0
    4    3   -2   -1   -0.1953   -0.5876   -0.1976   -0.5890    0.0027    1
    5    1   -1    1    0.0573   -0.2264    0.0566   -0.2258    0.0009    1
    6   -1    2   -5   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7    2   -3    1    0.1677   -0.5659    0.1201   -0.5972    0.0570    0
    8    1   -2    2    0.1448   -0.2221    0.1441   -0.2219    0.0007    1
    9    1    2   -5   -0.1929    0.0484   -0.1940    0.0483    0.0011    1
   10    0   -1    1    0.2262   -0.1279    0.2267   -0.1283    0.0007    1
   11    1   -4    1    0.5345   -0.6120    0.5314   -0.6143    0.0039    1
   12    2    2   -5   -0.1962   -0.0018   -0.1815   -0.0378    0.0389    0
   13   -1   -2    2    0.1973   -0.0087    0.1981   -0.0091    0.0009    1
   14   -1   -4    2    0.5166   -0.0910    0.5323   -0.1459    0.0571    0
   15    1    0   -1   -0.3371   -0.2374   -0.3358   -0.2354    0.0024    1
   16   -1   -1    1    0.1248    0.0351    0.1256    0.0356    0.0010    1
   17   -1   -4    1    0.7267   -0.0805    0.7260   -0.0804    0.0007    1
   18    0   -1    0    1.0563   -0.5094    1.0655   -0.4953    0.0168    1
   19   -2   -1    1    0.0418    0.0276    0.0407    0.0272    0.0011    1
   20   -2   -3    1    0.4475    0.1243    0.4436    0.1639    0.0397    0
   21    1    0    0   -0.0354   -0.0606   -0.0357   -0.0605    0.0003    1
   22   -3   -2   -1    0.2948    0.3307    0.2970    0.3320    0.0025    1
   23   -1    0   -1    0.0337    0.2669    0.0342    0.2676    0.0009    1

###            No.151                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6974    1.0089    1.4212   89.8100   90.0189   90.2524      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7005    1.0041    1.4218   90.0000   90.4763   90.0000      0.0000         0.4927    0.7062
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0003    0.0285    0.0390    0.0000    3.0458    0.0000      0.0000         0.0136    0.0170
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7921   -0.4589    1.1036)
 a2 = (   -0.2345    0.9361    0.2266)
 a3 = (   -0.5625   -0.0415   -0.4207)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7862   -0.4599    1.0994) (    0.0345    0.0075    0.0234)
 a2 = (   -0.2374    0.9410    0.2239) (    0.0104    0.0274    0.0058)
 a3 = (   -0.5658   -0.0439   -0.4154) (    0.0229    0.0103    0.0118)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.7279  126.6598  -85.7271    0.3781    1.6343    0.6169
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0038   -0.0009   -0.0028      0.0032    0.0031    0.0518

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2901         4.5718
# Chi-squares at the beginning and the end of the refinement
    0.2447    0.1154
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7439   -0.0549   -0.7289   -0.0565    0.0151    1
    2   -1    4   -2   -0.0326   -0.1429   -0.0133   -0.1793    0.0413    0
    3    1   -5   -1   -0.0137    0.0742   -0.0241    0.0824    0.0132    1
    4    0    1   -1   -0.1997   -0.5952   -0.1976   -0.5890    0.0065    1
    5    0    1    0    0.0571   -0.2278    0.0566   -0.2258    0.0021    1
    6    0   -1   -1   -0.1078    0.1210   -0.1046    0.1173    0.0049    1
    7    1    5   -1    0.1850   -0.5625    0.1201   -0.5972    0.0736    0
    8    1    4    2    0.1813   -0.2033    0.1441   -0.2219    0.0416    0
    9   -1   -2   -6   -0.1963    0.0493   -0.1940    0.0483    0.0025    1
   10    1    2    2    0.2287   -0.1275    0.2267   -0.1283    0.0022    1
   11    1    2    0    0.5472   -0.6133    0.5314   -0.6143    0.0158    1
   12   -1    0   -4   -0.1827   -0.0375   -0.1815   -0.0378    0.0012    1
   13    2    1    4    0.1843    0.0067    0.1981   -0.0091    0.0210    0
   14    1    1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1    2   -6   -0.3408   -0.2378   -0.3358   -0.2354    0.0056    1
   16    1    0    2    0.1266    0.0358    0.1256    0.0356    0.0010    1
   17    3    2    2    0.7282   -0.0757    0.7260   -0.0804    0.0052    1
   18    1    1    0    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19    2   -3    3    0.0318    0.0477    0.0407    0.0272    0.0223    0
   20    1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1    2   -2   -0.0349   -0.0582   -0.0357   -0.0605    0.0025    1
   22    3   -2    2    0.3012    0.3309    0.2970    0.3320    0.0044    1
   23    1   -2    0    0.0380    0.2737    0.0342    0.2676    0.0072    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7356   -0.0577   -0.7289   -0.0565    0.0068    1
    2   -1    4   -2   -0.0349   -0.1397   -0.0133   -0.1793    0.0452    0
    3    1   -5   -1   -0.0179    0.0739   -0.0241    0.0824    0.0106    1
    4    0    1   -1   -0.1991   -0.5867   -0.1976   -0.5890    0.0028    1
    5    0    1    0    0.0528   -0.2252    0.0566   -0.2258    0.0038    1
    6    0   -1   -1   -0.1102    0.1180   -0.1046    0.1173    0.0056    1
    7    1    5   -1    0.1787   -0.5569    0.1201   -0.5972    0.0711    0
    8    1    4    2    0.1765   -0.2031    0.1441   -0.2219    0.0375    0
    9   -1   -2   -6   -0.1955    0.0468   -0.1940    0.0483    0.0021    1
   10    1    2    2    0.2252   -0.1286    0.2267   -0.1283    0.0015    1
   11    1    2    0    0.5378   -0.6117    0.5314   -0.6143    0.0069    1
   12   -1    0   -4   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13    2    1    4    0.1833    0.0062    0.1981   -0.0091    0.0213    0
   14    1    1    1    0.5287   -0.1473    0.5323   -0.1459    0.0038    1
   15   -1    2   -6   -0.3371   -0.2352   -0.3358   -0.2354    0.0013    1
   16    1    0    2    0.1261    0.0362    0.1256    0.0356    0.0007    1
   17    3    2    2    0.7255   -0.0771    0.7260   -0.0804    0.0033    1
   18    1    1    0    1.0581   -0.5000    1.0655   -0.4953    0.0088    1
   19    2   -1    4    0.0624    0.0365    0.0407    0.0272    0.0235    0
   20    1    0    1    0.4417    0.1651    0.4436    0.1639    0.0022    1
   21   -1    2   -2   -0.0362   -0.0556   -0.0357   -0.0605    0.0050    1
   22    3   -2    2    0.2969    0.3331    0.2970    0.3320    0.0011    1
   23    1   -2    0    0.0327    0.2733    0.0342    0.2676    0.0059    1

###            No.152                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6940    1.0114    1.4248   90.6447   90.3170   90.0845      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7005    1.0041    1.4218   90.0000   89.5237   90.0000      0.0000         0.4927    0.7062
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0003    0.0285    0.0390    0.0000    3.0458    0.0000      0.0000         0.0136    0.0170
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7991    0.4578   -1.1083)
 a2 = (    0.2288   -0.9356   -0.2235)
 a3 = (   -0.5572   -0.0432   -0.4246)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7862    0.4599   -1.0994) (    0.0345    0.0075    0.0234)
 a2 = (    0.2374   -0.9410   -0.2239) (    0.0104    0.0274    0.0058)
 a3 = (   -0.5658   -0.0439   -0.4154) (    0.0229    0.0103    0.0118)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -106.2721  126.6598  -85.7271    0.3781    1.6343    0.6169
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0038   -0.0009   -0.0028      0.0032    0.0031    0.0518

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7803         4.5718
# Chi-squares at the beginning and the end of the refinement
    0.3756    0.1154
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7575   -0.0587   -0.7289   -0.0565    0.0287    1
    2    1   -4   -2   -0.0327   -0.1405   -0.0133   -0.1793    0.0434    0
    3   -1    5   -1   -0.0140    0.0791   -0.0241    0.0824    0.0106    1
    4    0   -1   -1   -0.1997   -0.5952   -0.1976   -0.5890    0.0065    1
    5    0   -1    0    0.0551   -0.2254    0.0566   -0.2258    0.0015    1
    6    0    1   -1   -0.1118    0.1269   -0.1046    0.1173    0.0120    1
    7   -1   -5   -1    0.1828   -0.5622    0.1201   -0.5972    0.0717    0
    8   -1   -4    2    0.1789   -0.2023    0.1441   -0.2219    0.0400    0
    9    1    2   -6   -0.2030    0.0509   -0.1940    0.0483    0.0093    1
   10   -1   -2    2    0.2267   -0.1269    0.2267   -0.1283    0.0014    1
   11   -1   -2    0    0.5464   -0.6146    0.5314   -0.6143    0.0150    1
   12    1    0   -4   -0.1868   -0.0389   -0.1815   -0.0378    0.0054    1
   13   -2   -1    4    0.1826    0.0069    0.1981   -0.0091    0.0223    0
   14   -1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    1   -2   -6   -0.3428   -0.2408   -0.3358   -0.2354    0.0089    1
   16   -1    0    2    0.1253    0.0356    0.1256    0.0356    0.0003    1
   17   -3   -2    2    0.7285   -0.0755    0.7260   -0.0804    0.0055    1
   18   -1   -1    0    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19   -2    1    4    0.0622    0.0350    0.0407    0.0272    0.0228    0
   20   -1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -2   -2   -0.0344   -0.0571   -0.0357   -0.0605    0.0037    1
   22   -3    2    2    0.3034    0.3309    0.2970    0.3320    0.0065    1
   23   -1    2    0    0.0408    0.2780    0.0342    0.2676    0.0123    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7356   -0.0577   -0.7289   -0.0565    0.0068    1
    2    1   -4   -2   -0.0349   -0.1397   -0.0133   -0.1793    0.0452    0
    3   -1    5   -1   -0.0179    0.0739   -0.0241    0.0824    0.0106    1
    4    0   -1   -1   -0.1991   -0.5867   -0.1976   -0.5890    0.0028    1
    5    0   -1    0    0.0528   -0.2252    0.0566   -0.2258    0.0038    1
    6    0    1   -1   -0.1102    0.1180   -0.1046    0.1173    0.0056    1
    7   -1   -5   -1    0.1787   -0.5569    0.1201   -0.5972    0.0711    0
    8   -1   -4    2    0.1765   -0.2031    0.1441   -0.2219    0.0375    0
    9    1    2   -6   -0.1955    0.0468   -0.1940    0.0483    0.0021    1
   10   -1   -2    2    0.2252   -0.1286    0.2267   -0.1283    0.0015    1
   11   -1   -2    0    0.5378   -0.6117    0.5314   -0.6143    0.0069    1
   12    1    0   -4   -0.1810   -0.0378   -0.1815   -0.0378    0.0006    1
   13   -2   -1    4    0.1833    0.0062    0.1981   -0.0091    0.0213    0
   14   -1   -1    1    0.5287   -0.1473    0.5323   -0.1459    0.0038    1
   15    1   -2   -6   -0.3371   -0.2352   -0.3358   -0.2354    0.0013    1
   16   -1    0    2    0.1261    0.0362    0.1256    0.0356    0.0007    1
   17   -3   -2    2    0.7255   -0.0771    0.7260   -0.0804    0.0033    1
   18   -1   -1    0    1.0581   -0.5000    1.0655   -0.4953    0.0088    1
   19   -2    1    4    0.0624    0.0365    0.0407    0.0272    0.0235    0
   20   -1    0    1    0.4417    0.1651    0.4436    0.1639    0.0022    1
   21    1   -2   -2   -0.0362   -0.0556   -0.0357   -0.0605    0.0050    1
   22   -3    2    2    0.2969    0.3331    0.2970    0.3320    0.0011    1
   23   -1    2    0    0.0327    0.2733    0.0342    0.2676    0.0059    1

###            No.156                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0114    0.6940    1.4248   90.3170   90.6447   90.0845      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0057    0.6999    1.4206   90.0000   89.6857   90.0000      0.0000         0.7079    0.4927
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0124    0.0293    0.0000    1.0716    0.0000      0.0000         0.0146    0.0128
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2288    0.9356    0.2235)
 a2 = (   -0.7991   -0.4578    1.1083)
 a3 = (    0.5572    0.0432    0.4246)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2395    0.9389    0.2233) (    0.0109    0.0023    0.0060)
 a2 = (   -0.7808   -0.4617    1.1038) (    0.0214    0.0102    0.0178)
 a3 = (    0.5655    0.0410    0.4172) (    0.0144    0.0080    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   16.2040   53.5694   94.5219    0.4498    0.4689    0.8534
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0034   -0.0015    0.0035      0.0031    0.0028    0.0130

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7803         4.5457
# Chi-squares at the beginning and the end of the refinement
    0.3126    0.1132
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7575   -0.0587   -0.7289   -0.0565    0.0287    1
    2    4   -1    2   -0.0327   -0.1405   -0.0133   -0.1793    0.0434    0
    3   -5    1    1   -0.0140    0.0791   -0.0241    0.0824    0.0106    1
    4    1    0    1   -0.1997   -0.5952   -0.1976   -0.5890    0.0065    1
    5    1    0    0    0.0551   -0.2254    0.0566   -0.2258    0.0015    1
    6   -1    0    1   -0.1118    0.1269   -0.1046    0.1173    0.0120    1
    7    5    1    1    0.1828   -0.5622    0.1201   -0.5972    0.0717    0
    8    4    1   -2    0.1789   -0.2023    0.1441   -0.2219    0.0400    0
    9   -2   -1    6   -0.2030    0.0509   -0.1940    0.0483    0.0093    1
   10    2    1   -2    0.2267   -0.1269    0.2267   -0.1283    0.0014    1
   11    2    1    0    0.5464   -0.6146    0.5314   -0.6143    0.0150    1
   12    0   -1    4   -0.1868   -0.0389   -0.1815   -0.0378    0.0054    1
   13    1    2   -4    0.1826    0.0069    0.1981   -0.0091    0.0223    0
   14    1    1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    2   -1    6   -0.3428   -0.2408   -0.3358   -0.2354    0.0089    1
   16    0    1   -2    0.1253    0.0356    0.1256    0.0356    0.0003    1
   17    2    3   -2    0.7285   -0.0755    0.7260   -0.0804    0.0055    1
   18    1    1    0    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19   -1    2   -4    0.0622    0.0350    0.0407    0.0272    0.0228    0
   20    0    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    2   -1    2   -0.0344   -0.0571   -0.0357   -0.0605    0.0037    1
   22   -2    3   -2    0.3034    0.3309    0.2970    0.3320    0.0065    1
   23   -2    1    0    0.0408    0.2780    0.0342    0.2676    0.0123    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7347   -0.0545   -0.7289   -0.0565    0.0061    1
    2    4   -1    2   -0.0340   -0.1392   -0.0133   -0.1793    0.0451    0
    3   -5    1    1   -0.0180    0.0746   -0.0241    0.0824    0.0099    1
    4    1    0    1   -0.1985   -0.5879   -0.1976   -0.5890    0.0014    1
    5    1    0    0    0.0533   -0.2239    0.0566   -0.2258    0.0037    1
    6   -1    0    1   -0.1104    0.1178   -0.1046    0.1173    0.0058    1
    7    5    1    1    0.1798   -0.5558    0.1201   -0.5972    0.0726    0
    8    4    1   -2    0.1758   -0.2020    0.1441   -0.2219    0.0374    0
    9   -2   -1    6   -0.1953    0.0468   -0.1940    0.0483    0.0020    1
   10    2    1   -2    0.2241   -0.1284    0.2267   -0.1283    0.0026    1
   11    2    1    0    0.5384   -0.6104    0.5314   -0.6143    0.0079    1
   12    0   -1    4   -0.1809   -0.0380   -0.1815   -0.0378    0.0007    1
   13    1    2   -4    0.1833    0.0054    0.1981   -0.0091    0.0207    0
   14    1    1   -1    0.5281   -0.1477    0.5323   -0.1459    0.0045    1
   15    2   -1    6   -0.3376   -0.2353   -0.3358   -0.2354    0.0018    1
   16    0    1   -2    0.1265    0.0355    0.1256    0.0356    0.0010    1
   17    2    3   -2    0.7258   -0.0772    0.7260   -0.0804    0.0031    1
   18    1    1    0    1.0601   -0.4989    1.0655   -0.4953    0.0065    1
   19   -1    2   -4    0.0631    0.0362    0.0407    0.0272    0.0241    0
   20    0    1   -1    0.4426    0.1651    0.4436    0.1639    0.0016    1
   21    2   -1    2   -0.0354   -0.0554   -0.0357   -0.0605    0.0051    1
   22   -2    3   -2    0.2972    0.3344    0.2970    0.3320    0.0024    1
   23   -2    1    0    0.0321    0.2740    0.0342    0.2676    0.0067    1

###            No.161                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6993    1.4249    1.0037   89.8676   90.1704   90.7349      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6988    1.4202    1.0076   90.0000   90.4756   90.0000      0.0000         0.6935    1.4095
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0362    0.0184    0.0000    1.1696    0.0000      0.0000         0.0126    0.0305
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7930    0.4578   -1.0987)
 a2 = (    0.5649    0.0438    0.4142)
 a3 = (    0.2358   -0.9413   -0.2259)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7843    0.4549   -1.1072) (    0.0112    0.0176    0.0085)
 a2 = (    0.5649    0.0437    0.4181) (    0.0171    0.0064    0.0075)
 a3 = (    0.2394   -0.9363   -0.2257) (    0.0104    0.0180    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -52.4957  102.7678   14.0458    0.4935    0.7194    0.4700
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0038   -0.0008    0.0064      0.0031    0.0027    0.0123

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.3142         4.4919
# Chi-squares at the beginning and the end of the refinement
    0.2426    0.1103
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    2   -4   -0.0317   -0.1397   -0.0133   -0.1793    0.0437    0
    3   -1    1    5   -0.0134    0.0724   -0.0241    0.0824    0.0146    1
    4    0    1   -1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5    0    0   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    1    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -1    1   -5    0.1822   -0.5558    0.1201   -0.5972    0.0746    0
    8   -1   -2   -4    0.1810   -0.2034    0.1441   -0.2219    0.0413    0
    9    1    6    2   -0.1891    0.0472   -0.1940    0.0483    0.0051    1
   10   -1   -2   -2    0.2298   -0.1284    0.2267   -0.1283    0.0032    1
   11   -1    0   -2    0.5402   -0.6087    0.5314   -0.6143    0.0104    1
   12    1    4    0   -0.1753   -0.0364   -0.1815   -0.0378    0.0064    1
   13   -2   -4   -1    0.1875    0.0069    0.1981   -0.0091    0.0192    0
   14   -1   -1   -1    0.5308   -0.1465    0.5323   -0.1459    0.0016    1
   15    1    6   -2   -0.3320   -0.2329   -0.3358   -0.2354    0.0045    1
   16   -1   -2    0    0.1301    0.0369    0.1256    0.0356    0.0047    1
   17   -3   -2   -2    0.7253   -0.0768    0.7260   -0.0804    0.0036    1
   18   -1    0   -1    1.0546   -0.4957    1.0655   -0.4953    0.0109    1
   19   -2   -3    3    0.0330    0.0497    0.0407    0.0272    0.0237    0
   20   -1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1    2   -2   -0.0329   -0.0551   -0.0357   -0.0605    0.0061    1
   22   -3   -2    2    0.3001    0.3304    0.2970    0.3320    0.0035    1
   23   -1    0    2    0.0373    0.2713    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7349   -0.0573   -0.7289   -0.0565    0.0060    1
    2    1    2   -4   -0.0350   -0.1403   -0.0133   -0.1793    0.0446    0
    3   -1    1    5   -0.0182    0.0738   -0.0241    0.0824    0.0104    1
    4    0    1   -1   -0.1991   -0.5887   -0.1976   -0.5890    0.0015    1
    5    0    0   -1    0.0536   -0.2256    0.0566   -0.2258    0.0029    1
    6    0    1    1   -0.1103    0.1174   -0.1046    0.1173    0.0057    1
    7   -1    1   -5    0.1807   -0.5571    0.1201   -0.5972    0.0726    0
    8   -1   -2   -4    0.1771   -0.2027    0.1441   -0.2219    0.0382    0
    9    1    6    2   -0.1949    0.0466   -0.1940    0.0483    0.0019    1
   10   -1   -2   -2    0.2253   -0.1282    0.2267   -0.1283    0.0014    1
   11   -1    0   -2    0.5387   -0.6098    0.5314   -0.6143    0.0085    1
   12    1    4    0   -0.1807   -0.0374   -0.1815   -0.0378    0.0009    1
   13   -2   -4   -1    0.1835    0.0060    0.1981   -0.0091    0.0210    0
   14   -1   -1   -1    0.5280   -0.1474    0.5323   -0.1459    0.0046    1
   15    1    6   -2   -0.3380   -0.2350   -0.3358   -0.2354    0.0022    1
   16   -1   -2    0    0.1264    0.0361    0.1256    0.0356    0.0009    1
   17   -3   -2   -2    0.7245   -0.0782    0.7260   -0.0804    0.0026    1
   18   -1    0   -1    1.0555   -0.4990    1.0655   -0.4953    0.0106    1
   19   -2   -4    1    0.0627    0.0366    0.0407    0.0272    0.0239    0
   20   -1   -1    0    0.4427    0.1642    0.4436    0.1639    0.0009    1
   21    1    2   -2   -0.0364   -0.0557   -0.0357   -0.0605    0.0049    1
   22   -3   -2    2    0.2986    0.3339    0.2970    0.3320    0.0024    1
   23   -1    0    2    0.0323    0.2744    0.0342    0.2676    0.0070    1

###            No.163                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6957    1.4230    1.0102   90.4918   90.3968   90.4193      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6988    1.4202    1.0076   90.0000   90.4756   90.0000      0.0000         0.6935    1.4095
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0362    0.0184    0.0000    1.1696    0.0000      0.0000         0.0126    0.0305
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7950   -0.4565    1.1072)
 a2 = (    0.5579    0.0432    0.4252)
 a3 = (   -0.2342    0.9349    0.2263)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7843   -0.4549    1.1072) (    0.0112    0.0176    0.0085)
 a2 = (    0.5649    0.0437    0.4181) (    0.0171    0.0064    0.0075)
 a3 = (   -0.2394    0.9363    0.2257) (    0.0104    0.0180    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   52.4957   77.2322 -165.9542    0.4935    0.7194    0.4700
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0038   -0.0008    0.0064      0.0031    0.0027    0.0123

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7479         4.4919
# Chi-squares at the beginning and the end of the refinement
    0.2667    0.1103
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7575   -0.0587   -0.7289   -0.0565    0.0287    1
    2   -1    2    4   -0.0327   -0.1440   -0.0133   -0.1793    0.0404    0
    3    1    1   -5   -0.0140    0.0762   -0.0241    0.0824    0.0119    1
    4    0    1    1   -0.1987   -0.6003   -0.1976   -0.5890    0.0114    1
    5    0    0    1    0.0571   -0.2278    0.0566   -0.2258    0.0021    1
    6    0    1   -1   -0.1107    0.1247   -0.1046    0.1173    0.0096    1
    7    1    1    5    0.1862   -0.5636    0.1201   -0.5972    0.0741    0
    8    1   -2    4    0.1806   -0.2027    0.1441   -0.2219    0.0412    0
    9   -1    6   -2   -0.2023    0.0506   -0.1940    0.0483    0.0086    1
   10    1   -2    2    0.2275   -0.1268    0.2267   -0.1283    0.0017    1
   11    1    0    2    0.5484   -0.6135    0.5314   -0.6143    0.0170    1
   12   -1    4    0   -0.1880   -0.0391   -0.1815   -0.0378    0.0066    1
   13    2   -4    1    0.1822    0.0068    0.1981   -0.0091    0.0225    0
   14    1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1    6    2   -0.3452   -0.2429   -0.3358   -0.2354    0.0121    1
   16    1   -2    0    0.1244    0.0353    0.1256    0.0356    0.0013    1
   17    3   -2    2    0.7287   -0.0760    0.7260   -0.0804    0.0051    1
   18    1    0    1    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19    2   -4   -1    0.0608    0.0342    0.0407    0.0272    0.0212    0
   20    1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1    2    2   -0.0357   -0.0598   -0.0357   -0.0605    0.0007    1
   22    3   -2   -2    0.3022    0.3314    0.2970    0.3320    0.0052    1
   23    1    0   -2    0.0387    0.2759    0.0342    0.2676    0.0095    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7349   -0.0573   -0.7289   -0.0565    0.0060    1
    2   -1    2    4   -0.0350   -0.1403   -0.0133   -0.1793    0.0446    0
    3    1    1   -5   -0.0182    0.0738   -0.0241    0.0824    0.0104    1
    4    0    1    1   -0.1991   -0.5887   -0.1976   -0.5890    0.0015    1
    5    0    0    1    0.0536   -0.2256    0.0566   -0.2258    0.0029    1
    6    0    1   -1   -0.1103    0.1174   -0.1046    0.1173    0.0057    1
    7    1    1    5    0.1807   -0.5571    0.1201   -0.5972    0.0726    0
    8    1   -2    4    0.1771   -0.2027    0.1441   -0.2219    0.0382    0
    9   -1    6   -2   -0.1949    0.0466   -0.1940    0.0483    0.0019    1
   10    1   -2    2    0.2253   -0.1282    0.2267   -0.1283    0.0014    1
   11    1    0    2    0.5387   -0.6098    0.5314   -0.6143    0.0085    1
   12   -1    4    0   -0.1807   -0.0374   -0.1815   -0.0378    0.0009    1
   13    2   -4    1    0.1835    0.0060    0.1981   -0.0091    0.0210    0
   14    1   -1    1    0.5280   -0.1474    0.5323   -0.1459    0.0046    1
   15   -1    6    2   -0.3380   -0.2350   -0.3358   -0.2354    0.0022    1
   16    1   -2    0    0.1264    0.0361    0.1256    0.0356    0.0009    1
   17    3   -2    2    0.7245   -0.0782    0.7260   -0.0804    0.0026    1
   18    1    0    1    1.0555   -0.4990    1.0655   -0.4953    0.0106    1
   19    2   -4   -1    0.0627    0.0366    0.0407    0.0272    0.0239    0
   20    1   -1    0    0.4427    0.1642    0.4436    0.1639    0.0009    1
   21   -1    2    2   -0.0364   -0.0557   -0.0357   -0.0605    0.0049    1
   22    3   -2   -2    0.2986    0.3339    0.2970    0.3320    0.0024    1
   23    1    0   -2    0.0323    0.2744    0.0342    0.2676    0.0070    1

###            No.166                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0006    0.7027    1.4222   89.9296   90.1102   90.1351      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9971    0.7077    1.4171   90.0000   89.8340   90.0000      0.0000         0.7036    0.4994
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0131    0.0329    0.0000    1.2204    0.0000      0.0000         0.0163    0.0118
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9534    0.2704   -0.1294)
 a2 = (   -0.0527    0.7702    1.1954)
 a3 = (    0.2104   -0.5602    0.3692)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9563    0.2731   -0.1288) (    0.0031    0.0099    0.0054)
 a2 = (   -0.0557    0.7569    1.1919) (    0.0084    0.0174    0.0221)
 a3 = (    0.2087   -0.5646    0.3683) (    0.0110    0.0156    0.0072)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -8.6539   58.5658   20.4758    0.3558    0.4449    0.6669
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0000    0.0024      0.0028    0.0038    0.0156

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2898         4.1511
# Chi-squares at the beginning and the end of the refinement
    0.0814    0.0222
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    1    2   -0.7312   -0.0613   -0.7289   -0.0565    0.0053    1
    2    1    2   -4   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3    0   -1    4   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4    2    3   -2   -0.1960   -0.5864   -0.1976   -0.5890    0.0031    1
    5    0    1   -2    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6    2   -1    6   -0.1054    0.1174   -0.1046    0.1173    0.0007    1
    7    0    1   -1    0.1182   -0.5977    0.1201   -0.5972    0.0020    1
    8   -1    2   -4    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9    1    0    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -2    1   -2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11   -2    3   -2    0.5314   -0.6179    0.5314   -0.6143    0.0036    1
   12    5    1    1   -0.1693   -0.0537   -0.1815   -0.0378    0.0201    0
   13   -4    1   -2    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14   -4    2   -1    0.5796   -0.1430    0.5323   -0.1459    0.0474    0
   15    2    1    0   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1    0    0.7321   -0.0857    0.7260   -0.0804    0.0081    1
   18   -1    1    0    1.0561   -0.5247    1.0655   -0.4953    0.0309    1
   19   -4    0   -1    0.0362    0.0047    0.0407    0.0272    0.0230    0
   20   -5    1    1    0.4520    0.1120    0.4436    0.1639    0.0525    0
   21    2    1   -2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    0    1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -2   -1    6    0.0341    0.2693    0.0342    0.2676    0.0017    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    1    2   -0.7285   -0.0558   -0.7289   -0.0565    0.0009    1
    2    1    2   -4   -0.0003   -0.1929   -0.0133   -0.1793    0.0188    0
    3    0   -1    4   -0.0250    0.0855   -0.0241    0.0824    0.0032    1
    4    2    3   -2   -0.1971   -0.5863   -0.1976   -0.5890    0.0027    1
    5    0    1   -2    0.0571   -0.2267    0.0566   -0.2258    0.0010    1
    6    2   -1    6   -0.1045    0.1170   -0.1046    0.1173    0.0003    1
    7    0    1   -1    0.1198   -0.5979    0.1201   -0.5972    0.0008    1
    8   -1    2   -4    0.1246   -0.2288    0.1441   -0.2219    0.0207    0
    9    1    0    1   -0.1928    0.0483   -0.1940    0.0483    0.0013    1
   10   -2    1   -2    0.2269   -0.1273    0.2267   -0.1283    0.0010    1
   11   -2    3   -2    0.5367   -0.6132    0.5314   -0.6143    0.0054    1
   12    5    1    1   -0.1682   -0.0532   -0.1815   -0.0378    0.0204    0
   13   -4    1   -2    0.2180   -0.0403    0.1981   -0.0091    0.0370    0
   14   -4    2   -1    0.5766   -0.1371    0.5323   -0.1459    0.0452    0
   15    2    1    0   -0.3361   -0.2361   -0.3358   -0.2354    0.0008    1
   16   -1    0    0    0.1244    0.0354    0.1256    0.0356    0.0012    1
   17   -2    1    0    0.7265   -0.0778    0.7260   -0.0804    0.0026    1
   18   -1    1    0    1.0600   -0.5066    1.0655   -0.4953    0.0127    1
   19   -5    0   -1    0.0539    0.0086    0.0407    0.0272    0.0229    0
   20   -4    1    1    0.5320    0.1303    0.4436    0.1639    0.0946    0
   21    2    1   -2   -0.0353   -0.0602   -0.0357   -0.0605    0.0005    1
   22   -1    0    1    0.2943    0.3294    0.2970    0.3320    0.0037    1
   23   -2   -1    6    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.167                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7027    1.4222    1.0006   89.8898   90.1351   90.0704      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7075    1.4182    0.9967   90.0000   89.8547   90.0000      0.0000         0.7099    1.4229
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0346    0.0182    0.0000    1.0718    0.0000      0.0000         0.0129    0.0324
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0527   -0.7702   -1.1954)
 a2 = (    0.2104   -0.5602    0.3692)
 a3 = (   -0.9534   -0.2704    0.1294)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0573   -0.7571   -1.1922) (    0.0165    0.0088    0.0055)
 a2 = (    0.2094   -0.5638    0.3681) (    0.0083    0.0156    0.0065)
 a3 = (   -0.9573   -0.2712    0.1293) (    0.0177    0.0112    0.0071)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -58.2457   82.7218  -74.1049    0.4261    0.6884    0.4185
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0001    0.0000    0.0021      0.0032    0.0038    0.0151

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2898         3.7758
# Chi-squares at the beginning and the end of the refinement
    0.0971    0.0222
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    2   -2   -0.7312   -0.0613   -0.7289   -0.0565    0.0053    1
    2   -2   -4   -1   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3    1    4    0   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4   -3   -2   -2   -0.1960   -0.5864   -0.1976   -0.5890    0.0031    1
    5   -1   -2    0    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6    1    6   -2   -0.1054    0.1174   -0.1046    0.1173    0.0007    1
    7   -1   -1    0    0.1182   -0.5977    0.1201   -0.5972    0.0020    1
    8   -2   -4    1    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9    0    1   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1   -2    2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11   -3   -2    2    0.5314   -0.6179    0.5314   -0.6143    0.0036    1
   12   -1    1   -5   -0.1693   -0.0537   -0.1815   -0.0378    0.0201    0
   13   -1   -2    4    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14   -2   -1    4    0.5796   -0.1430    0.5323   -0.1459    0.0474    0
   15   -1    0   -2   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    0    2    0.7321   -0.0857    0.7260   -0.0804    0.0081    1
   18   -1    0    1    1.0561   -0.5247    1.0655   -0.4953    0.0309    1
   19    0   -1    4    0.0362    0.0047    0.0407    0.0272    0.0230    0
   20   -1    1    5    0.4520    0.1120    0.4436    0.1639    0.0525    0
   21   -1   -2   -2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    1    1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    1    6    2    0.0341    0.2693    0.0342    0.2676    0.0017    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    2   -2   -0.7279   -0.0550   -0.7289   -0.0565    0.0019    1
    2   -2   -4   -1   -0.0002   -0.1933   -0.0133   -0.1793    0.0191    0
    3    1    4    0   -0.0253    0.0853   -0.0241    0.0824    0.0032    1
    4   -3   -2   -2   -0.1972   -0.5874   -0.1976   -0.5890    0.0016    1
    5   -1   -2    0    0.0574   -0.2269    0.0566   -0.2258    0.0014    1
    6    1    6   -2   -0.1044    0.1165   -0.1046    0.1173    0.0008    1
    7   -1   -1    0    0.1209   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2   -4    1    0.1250   -0.2288    0.1441   -0.2219    0.0203    0
    9    0    1   -1   -0.1921    0.0482   -0.1940    0.0483    0.0019    1
   10   -1   -2    2    0.2268   -0.1273    0.2267   -0.1283    0.0011    1
   11   -3   -2    2    0.5367   -0.6119    0.5314   -0.6143    0.0058    1
   12   -1    0   -4   -0.1442   -0.0704   -0.1815   -0.0378    0.0496    0
   13   -1   -2    4    0.2181   -0.0405    0.1981   -0.0091    0.0372    0
   14   -2   -1    4    0.5758   -0.1376    0.5323   -0.1459    0.0443    0
   15   -1    0   -2   -0.3367   -0.2356   -0.3358   -0.2354    0.0009    1
   16    0    0    1    0.1248    0.0354    0.1256    0.0356    0.0008    1
   17   -1    0    2    0.7256   -0.0790    0.7260   -0.0804    0.0015    1
   18   -1    0    1    1.0573   -0.5063    1.0655   -0.4953    0.0137    1
   19    0   -1    4    0.0363    0.0047    0.0407    0.0272    0.0230    0
   20   -1    1    4    0.5325    0.1291    0.4436    0.1639    0.0955    0
   21   -1   -2   -2   -0.0355   -0.0600   -0.0357   -0.0605    0.0005    1
   22    0    1    1    0.2955    0.3299    0.2970    0.3320    0.0026    1
   23    1    6    2    0.0344    0.2674    0.0342    0.2676    0.0004    1

###            No.168                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7027    1.0006    1.4222   89.8898   90.0704   90.1351      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7135    0.9896    1.4164   90.0000   91.1962   90.0000      0.0000         0.5038    0.6987
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0013    0.0653    0.0613    0.0000    5.0942    0.0000      0.0000         0.0226    0.0248
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0527    0.7702    1.1954)
 a2 = (    0.9534    0.2704   -0.1294)
 a3 = (   -0.2104    0.5602   -0.3692)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0602    0.7628    1.1745) (    0.0241    0.0502    0.0338)
 a2 = (    0.9643    0.2733   -0.1281) (    0.0655    0.0157    0.0058)
 a3 = (   -0.2093    0.5687   -0.3625) (    0.0087    0.0420    0.0133)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   98.6036  122.0698 -159.5837    0.3756    2.6670    0.4662
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0002   -0.0000   -0.0208      0.0033    0.0038    0.0987

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2898         3.7689
# Chi-squares at the beginning and the end of the refinement
    0.1032    0.0205
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2   -2   -0.7312   -0.0613   -0.7289   -0.0565    0.0053    1
    2    2    1    4   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3   -1    0   -4   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4    3    2    2   -0.1960   -0.5864   -0.1976   -0.5890    0.0031    1
    5    1    0    2    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6   -1    2   -6   -0.1054    0.1174   -0.1046    0.1173    0.0007    1
    7    1    0    1    0.1182   -0.5977    0.1201   -0.5972    0.0020    1
    8    2   -1    4    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9    0    1   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -2    2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11    3   -2    2    0.5314   -0.6179    0.5314   -0.6143    0.0036    1
   12    1    5   -1   -0.1693   -0.0537   -0.1815   -0.0378    0.0201    0
   13    1   -4    2    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14    2   -4    1    0.5796   -0.1430    0.5323   -0.1459    0.0474    0
   15    1    2    0   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -2    0    0.7321   -0.0857    0.7260   -0.0804    0.0081    1
   18    1   -1    0    1.0561   -0.5247    1.0655   -0.4953    0.0309    1
   19    0   -4    1    0.0362    0.0047    0.0407    0.0272    0.0230    0
   20    1   -5   -1    0.4520    0.1120    0.4436    0.1639    0.0525    0
   21    1    2    2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -1   -1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1   -2   -6    0.0341    0.2693    0.0342    0.2676    0.0017    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2   -2   -0.7295   -0.0549   -0.7289   -0.0565    0.0017    1
    2    2    1    4   -0.0005   -0.1932   -0.0133   -0.1793    0.0189    0
    3   -1    0   -4   -0.0253    0.0851   -0.0241    0.0824    0.0030    1
    4    3    2    2   -0.1968   -0.5875   -0.1976   -0.5890    0.0017    1
    5    1    0    2    0.0571   -0.2271    0.0566   -0.2258    0.0014    1
    6   -1    2   -6   -0.1042    0.1163   -0.1046    0.1173    0.0010    1
    7    1    0    1    0.1209   -0.5981    0.1201   -0.5972    0.0012    1
    8    2   -1    4    0.1247   -0.2292    0.1441   -0.2219    0.0207    0
    9    0    1   -1   -0.1919    0.0482   -0.1940    0.0483    0.0022    1
   10    1   -2    2    0.2272   -0.1279    0.2267   -0.1283    0.0007    1
   11    3   -2    2    0.5368   -0.6116    0.5314   -0.6143    0.0060    1
   12    1    4    0   -0.1438   -0.0703   -0.1815   -0.0378    0.0498    0
   13    1   -4    2    0.2187   -0.0408    0.1981   -0.0091    0.0378    0
   14    2   -4    1    0.5762   -0.1378    0.5323   -0.1459    0.0446    0
   15    1    2    0   -0.3366   -0.2358   -0.3358   -0.2354    0.0009    1
   16    0   -1    0    0.1254    0.0355    0.1256    0.0356    0.0002    1
   17    1   -2    0    0.7256   -0.0789    0.7260   -0.0804    0.0015    1
   18    1   -1    0    1.0565   -0.5049    1.0655   -0.4953    0.0132    1
   19    0   -4    1    0.0369    0.0047    0.0407    0.0272    0.0228    0
   20    1   -4   -1    0.5327    0.1292    0.4436    0.1639    0.0956    0
   21    1    2    2   -0.0355   -0.0597   -0.0357   -0.0605    0.0008    1
   22    0   -1   -1    0.2955    0.3297    0.2970    0.3320    0.0028    1
   23   -1   -2   -6    0.0345    0.2672    0.0342    0.2676    0.0006    1

###            No.169                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0247    0.7087    1.3807   90.6888   93.7166   91.7503      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0039    0.6909    1.4422   90.0000   91.3585   90.0000      0.0000         0.6961    0.4791
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0009    0.0187    0.0828    0.0000    2.0714    0.0000      0.0000         0.0398    0.0320
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2315    0.9244    0.2218)
 a2 = (    0.7435    0.4954   -1.0931)
 a3 = (   -0.5943    0.0013   -0.4168)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2468    0.9393    0.2232) (    0.0178    0.0037    0.0087)
 a2 = (    0.8045    0.4741   -1.1058) (    0.0446    0.0222    0.0275)
 a3 = (   -0.5543   -0.0294   -0.4159) (    0.0409    0.0200    0.0124)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  163.6630  127.2356  -85.3374    0.5654    1.6760    1.0323
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0045   -0.0025   -0.0060      0.0036    0.0035    0.0215

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         1.8827         3.4033
# Chi-squares at the beginning and the end of the refinement
    1.2229    0.1410
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7014    0.0015   -0.7289   -0.0565    0.0642    0
    2    5    1   -2   -0.0246   -0.1624   -0.0133   -0.1793    0.0204    0
    3   -5   -1   -1   -0.0149    0.0754   -0.0241    0.0824    0.0116    1
    4    1    0   -1   -0.2354   -0.5993   -0.1976   -0.5890    0.0392    0
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    5   -1   -1    0.1828   -0.5769    0.1201   -0.5972    0.0659    0
    8    4   -1    2    0.1778   -0.1993    0.1441   -0.2219    0.0406    0
    9   -2    1   -6   -0.1868    0.0533   -0.1940    0.0483    0.0088    1
   10    2   -1    2    0.2223   -0.1259    0.2267   -0.1283    0.0050    1
   11    2   -1    0    0.5640   -0.6326    0.5314   -0.6143    0.0374    0
   12    0    1   -4   -0.1795   -0.0282   -0.1815   -0.0378    0.0098    1
   13    1   -2    4    0.1809    0.0027    0.1981   -0.0091    0.0209    0
   14    1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    2    1   -6   -0.3516   -0.2136   -0.3358   -0.2354    0.0269    0
   16    0   -1    2    0.1261    0.0322    0.1256    0.0356    0.0035    1
   17    2   -3    2    0.7378   -0.0694    0.7260   -0.0804    0.0161    1
   18    3   -3    1    0.8840   -0.3236    1.0655   -0.4953    0.2498    0
   19   -3   -2    3    0.0335    0.0490    0.0407    0.0272    0.0229    0
   20    0   -1    1    0.4449    0.1643    0.4436    0.1639    0.0014    1
   21    2    1   -2   -0.0354   -0.0564   -0.0357   -0.0605    0.0041    1
   22   -2   -3    2    0.2982    0.3362    0.2970    0.3320    0.0044    1
   23   -2   -1    0    0.0327    0.2731    0.0342    0.2676    0.0057    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7572   -0.0424   -0.7289   -0.0565    0.0316    0
    2    4    1   -2   -0.0344   -0.1412   -0.0133   -0.1793    0.0436    0
    3   -5   -1   -1   -0.0192    0.0741   -0.0241    0.0824    0.0097    1
    4    1    0   -1   -0.1959   -0.6055   -0.1976   -0.5890    0.0166    1
    5    1    0    0    0.0542   -0.2261    0.0566   -0.2258    0.0023    1
    6   -1    0   -1   -0.1102    0.1175   -0.1046    0.1173    0.0056    1
    7    5   -1   -1    0.1897   -0.5588    0.1201   -0.5972    0.0794    0
    8    4   -1    2    0.1765   -0.2037    0.1441   -0.2219    0.0372    0
    9   -2    1   -6   -0.1962    0.0484   -0.1940    0.0483    0.0022    1
   10    2   -1    2    0.2249   -0.1308    0.2267   -0.1283    0.0030    1
   11    2   -1    0    0.5497   -0.6021    0.5314   -0.6143    0.0219    1
   12    0    1   -4   -0.1834   -0.0375   -0.1815   -0.0378    0.0018    1
   13    1   -2    4    0.1858    0.0034    0.1981   -0.0091    0.0176    1
   14    1   -1    1    0.5283   -0.1472    0.5323   -0.1459    0.0042    1
   15    2    1   -6   -0.3468   -0.2406   -0.3358   -0.2354    0.0122    1
   16    0   -1    2    0.1292    0.0347    0.1256    0.0356    0.0037    1
   17    2   -3    2    0.7228   -0.0745    0.7260   -0.0804    0.0066    1
   18    1   -1    0    1.0590   -0.4731    1.0655   -0.4953    0.0231    1
   19   -3   -2    3    0.0308    0.0511    0.0407    0.0272    0.0259    0
   20    0   -1    1    0.4446    0.1639    0.4436    0.1639    0.0010    1
   21    2    1   -2   -0.0359   -0.0559   -0.0357   -0.0605    0.0046    1
   22   -2   -3    2    0.2992    0.3343    0.2970    0.3320    0.0032    1
   23   -2   -1    0    0.0321    0.2746    0.0342    0.2676    0.0073    1

###            No.170                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8505    1.4138    0.8777   90.1422  108.6462   90.2068      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8564    1.4316    0.8752   90.0000  111.2735   90.0000      0.0000         0.9785    1.6357
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0312    0.1428    0.0798    0.0000    5.3671    0.0000      0.0000         0.0551    0.0298
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4435   -0.1747   -1.1457)
 a2 = (   -0.3583   -0.6078   -0.0496)
 a3 = (   -0.7568    0.5048   -0.7864)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4128   -0.1452   -1.1741) (    0.0356    0.0269    0.0158)
 a2 = (   -0.3539   -0.6001   -0.0502) (    0.0344    0.0608    0.0038)
 a3 = (   -0.7637    0.5180   -0.8074) (    0.0883    0.0455    0.0138)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -94.3883  109.9862 -122.0321    0.3298    2.1492    0.3908
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            159            400
# Figure of merit at the beginning and the end of the refinement
        12.7129         3.2875
# Chi-squares at the beginning and the end of the refinement
    0.1847    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7433   -0.0687   -0.7289   -0.0565    0.0189    1
    2   -1   -4    1   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3    1    3   -2   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4   -1   -3    0   -0.1861   -0.5890   -0.1976   -0.5890    0.0115    1
    5   -1   -2    1    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    1    1   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -2   -3    1    0.1255   -0.5909    0.1201   -0.5972    0.0083    1
    8   -1   -1    1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    1   -1   -2   -0.1938    0.0483   -0.1940    0.0483    0.0002    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -1    1    0.5273   -0.5997    0.5314   -0.6143    0.0152    1
   12    1   -3   -2   -0.1818   -0.0383   -0.1815   -0.0378    0.0006    1
   13   -1    1    1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14   -3    1    2    0.5230   -0.1512    0.5323   -0.1459    0.0107    1
   15    0   -3   -1   -0.3362   -0.2421   -0.3358   -0.2354    0.0067    1
   16   -1    2    1    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17   -2    1    1    0.7161   -0.0881    0.7260   -0.0804    0.0126    1
   18   -3    0    1    1.0217   -0.5036    1.0655   -0.4953    0.0446    1
   19   -1    4    1    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20   -2    3    1    0.4426    0.1578    0.4436    0.1639    0.0061    1
   21    0   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3    0    0.3013    0.3272    0.2970    0.3320    0.0065    1
   23    0    3   -1    0.0367    0.2688    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2   -1   -4    1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1    3   -2   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4   -1   -3    0   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5   -1   -2    1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6    1    1   -2   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7   -2   -3    1    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8   -1   -1    1    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9    1   -1   -2   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10   -1    0    1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11   -2   -1    1    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12    1   -3   -2   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13   -1    1    1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14   -3    1    2    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15    0   -3   -1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16   -1    2    1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17   -2    1    1    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18   -3    1    1    1.0600   -0.1595    1.0655   -0.4953    0.3358    0
   19   -1    4    1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20   -2    3    1    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0   -1    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1    3    0    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23    0    3   -1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.172                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8654    1.4114    0.8670   90.1165  109.2077   90.0919      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8564    1.4316    0.8752   90.0000  111.2735   90.0000      0.0000         0.9785    1.6357
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0312    0.1428    0.0798    0.0000    5.3671    0.0000      0.0000         0.0551    0.0298
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4158    0.1515    1.1408)
 a2 = (   -0.3590   -0.6090   -0.0481)
 a3 = (    0.7768   -0.5237    0.7838)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4128    0.1452    1.1741) (    0.0356    0.0269    0.0158)
 a2 = (   -0.3539   -0.6001   -0.0502) (    0.0344    0.0608    0.0038)
 a3 = (    0.7637   -0.5180    0.8074) (    0.0883    0.0455    0.0138)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   94.3883   70.0138   57.9679    0.3298    2.1492    0.3908
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            163            400
# Figure of merit at the beginning and the end of the refinement
        32.5083         3.2875
# Chi-squares at the beginning and the end of the refinement
    0.0225    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7283   -0.0547   -0.7289   -0.0565    0.0019    1
    2    1   -4   -1   -0.0137   -0.1756   -0.0133   -0.1793    0.0038    1
    3   -1    3    2   -0.0253    0.0858   -0.0241    0.0824    0.0036    1
    4    1   -3    0   -0.1952   -0.5843   -0.1976   -0.5890    0.0052    1
    5    1   -2   -1    0.0565   -0.2253    0.0566   -0.2258    0.0005    1
    6   -1    1    2   -0.1040    0.1168   -0.1046    0.1173    0.0008    1
    7    2   -3   -1    0.1192   -0.5950    0.1201   -0.5972    0.0024    1
    8    1   -1   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1   -1    2   -0.1916    0.0486   -0.1940    0.0483    0.0024    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1   -1    0.5332   -0.6127    0.5314   -0.6143    0.0024    1
   12   -1   -3    2   -0.1798   -0.0371   -0.1815   -0.0378    0.0019    1
   13    1    1   -1    0.1987   -0.0085    0.1981   -0.0091    0.0009    1
   14    3    1   -2    0.5294   -0.1496    0.5323   -0.1459    0.0046    1
   15    0   -3    1   -0.3351   -0.2356   -0.3358   -0.2354    0.0007    1
   16    1    2   -1    0.1263    0.0359    0.1256    0.0356    0.0007    1
   17    2    1   -1    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    3    0   -1    1.0567   -0.5106    1.0655   -0.4953    0.0177    1
   19    1    4   -1    0.0432    0.0289    0.0407    0.0272    0.0030    1
   20    2    3   -1    0.4426    0.1649    0.4436    0.1639    0.0014    1
   21    0   -1    0   -0.0346   -0.0586   -0.0357   -0.0605    0.0022    1
   22    1    3    0    0.2954    0.3315    0.2970    0.3320    0.0017    1
   23    0    3    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    1   -4   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -1    3    2   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    1   -3    0   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    1   -2   -1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -1    1    2   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    2   -3   -1    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    1   -1   -1    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -1   -1    2   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    1    0   -1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    2   -1   -1    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12   -1   -3    2   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    1    1   -1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    3    1   -2    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15    0   -3    1   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    1    2   -1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    2    1   -1    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    3    1   -1    1.0600   -0.1595    1.0655   -0.4953    0.3358    0
   19    1    4   -1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    2    3   -1    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0   -1    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1    3    0    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23    0    3    1    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.177                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8680    1.4049    0.8683   90.2503  109.1737   90.9510      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8752    1.4316    0.8564   90.0000  111.2735   90.0000      0.0000         1.0219    1.6716
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0319    0.0692    0.0224    0.0000    5.3671    0.0000      0.0000         0.0575    0.1075
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7660    0.5401   -0.7809)
 a2 = (    0.3607    0.6119    0.0482)
 a3 = (    0.4193   -0.1429   -1.1360)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7637    0.5180   -0.8074) (    0.0459    0.0173    0.0537)
 a2 = (    0.3539    0.6001    0.0502) (    0.0167    0.0298    0.0033)
 a3 = (    0.4128   -0.1452   -1.1741) (    0.0227    0.0209    0.0791)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -83.7678  138.5178   64.1474    0.3848    3.3637    0.5697
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0419      0.0023    0.0024    0.1083

# Number of computed bands
            147            400
# Figure of merit at the beginning and the end of the refinement
        21.7187         3.2875
# Chi-squares at the beginning and the end of the refinement
    0.3498    0.0175
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7329   -0.0467   -0.7289   -0.0565    0.0106    1
    2    1    4   -1   -0.0143   -0.1739   -0.0133   -0.1793    0.0055    1
    3   -2   -3    1   -0.0242    0.0850   -0.0241    0.0824    0.0026    1
    4    0    3   -1   -0.1949   -0.5820   -0.1976   -0.5890    0.0075    1
    5    1    2   -1    0.0544   -0.2236    0.0566   -0.2258    0.0031    1
    6   -2   -1    1   -0.1018    0.1175   -0.1046    0.1173    0.0028    1
    7    1    3   -2    0.1162   -0.5918    0.1201   -0.5972    0.0066    1
    8    1    1   -1    0.1411   -0.2216    0.1441   -0.2219    0.0030    1
    9   -2    1    1   -0.1916    0.0507   -0.1940    0.0483    0.0034    1
   10    1    0   -1    0.2250   -0.1296    0.2267   -0.1283    0.0022    1
   11    1    1   -2    0.5298   -0.6124    0.5314   -0.6143    0.0025    1
   12   -2    3    1   -0.1807   -0.0365   -0.1815   -0.0378    0.0016    1
   13    1   -1   -1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    2   -1   -3    0.5279   -0.1503    0.5323   -0.1459    0.0062    1
   15   -1    3    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1   -2   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1   -2    0.7256   -0.0790    0.7260   -0.0804    0.0014    1
   18    1    0   -3    1.0561   -0.5055    1.0655   -0.4953    0.0139    1
   19    1   -4   -1    0.0426    0.0286    0.0407    0.0272    0.0023    1
   20    1   -3   -2    0.4392    0.1651    0.4436    0.1639    0.0046    1
   21    0    1    0   -0.0345   -0.0585   -0.0357   -0.0605    0.0024    1
   22    0   -3   -1    0.2907    0.3278    0.2970    0.3320    0.0076    1
   23   -1   -3    0    0.0350    0.2631    0.0342    0.2676    0.0046    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7310   -0.0543   -0.7289   -0.0565    0.0031    1
    2    1    4   -1   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3   -2   -3    1   -0.0250    0.0852   -0.0241    0.0824    0.0029    1
    4    0    3   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0024    1
    5    1    2   -1    0.0570   -0.2265    0.0566   -0.2258    0.0009    1
    6   -2   -1    1   -0.1041    0.1166   -0.1046    0.1173    0.0009    1
    7    1    3   -2    0.1209   -0.5974    0.1201   -0.5972    0.0009    1
    8    1    1   -1    0.1448   -0.2226    0.1441   -0.2219    0.0010    1
    9   -2    1    1   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    1    0   -1    0.2269   -0.1283    0.2267   -0.1283    0.0002    1
   11    1    1   -2    0.5368   -0.6122    0.5314   -0.6143    0.0057    1
   12   -2    3    1   -0.1808   -0.0379   -0.1815   -0.0378    0.0007    1
   13    1   -1   -1    0.1980   -0.0087    0.1981   -0.0091    0.0004    1
   14    2   -1   -3    0.5293   -0.1484    0.5323   -0.1459    0.0038    1
   15   -1    3    0   -0.3365   -0.2371   -0.3358   -0.2354    0.0018    1
   16    1   -2   -1    0.1254    0.0351    0.1256    0.0356    0.0005    1
   17    1   -1   -2    0.7268   -0.0784    0.7260   -0.0804    0.0021    1
   18    1   -1   -3    1.0600   -0.1595    1.0655   -0.4953    0.3358    0
   19    1   -4   -1    0.0425    0.0278    0.0407    0.0272    0.0018    1
   20    1   -3   -2    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21    0    1    0   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    0   -3   -1    0.2945    0.3297    0.2970    0.3320    0.0034    1
   23   -1   -3    0    0.0345    0.2664    0.0342    0.2676    0.0013    1

###            No.180                ###
# Bravais type
   Monoclinic(P)
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.6022    0.3822    1.6346   90.5773   92.4402   90.3071      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.6215    0.3810    1.6188   90.0000   90.4472   90.0000      0.0000         1.0017    0.2353
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0007    0.0141    0.0546    0.0000    3.2633    0.0000      0.0000         0.0340    0.0062
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3604    0.2038   -0.4678)
 a2 = (   -0.5972    2.4762    0.5984)
 a3 = (    0.4929    0.0382    0.3614)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3382    0.1996   -0.4755) (    0.0167    0.0047    0.0108)
 a2 = (   -0.6248    2.4787    0.5960) (    0.0286    0.0965    0.0170)
 a3 = (    0.4979    0.0380    0.3638) (    0.0243    0.0100    0.0104)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -73.5913   53.4959   94.2122    0.4755    1.7984    0.6359
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003    0.0001   -0.0035      0.0025    0.0037    0.0568

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.4695         3.1820
# Chi-squares at the beginning and the end of the refinement
    0.3745    0.0126
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    1    1   -0.0169   -0.1794   -0.0133   -0.1793    0.0036    1
    3   -1   -1    1   -0.0224    0.0812   -0.0241    0.0824    0.0021    1
    4    0    1    3   -0.1980   -0.5821   -0.1976   -0.5890    0.0069    1
    5    0    1    0    0.0551   -0.2284    0.0566   -0.2258    0.0030    1
    6    0   -1    3   -0.1020    0.1160   -0.1046    0.1173    0.0029    1
    7   -1    1    1    0.1194   -0.5938    0.1201   -0.5972    0.0034    1
    8   -1    1   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    2   -1    7   -0.1828    0.0690   -0.1940    0.0483    0.0236    0
   10   -3    1   -3    0.2224   -0.1233    0.2267   -0.1283    0.0067    1
   11   -3    1    0    0.5338   -0.5931    0.5314   -0.6143    0.0213    1
   12    1    0    2   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -5    1   -5    0.2177   -0.0567    0.1981   -0.0091    0.0515    0
   14   -6    1   -3    0.5109   -0.1373    0.5323   -0.1459    0.0231    1
   15    2    1    7   -0.3452   -0.3044   -0.3358   -0.2354    0.0696    0
   16   -1    0   -1    0.1155    0.0328    0.1256    0.0356    0.0105    1
   17   -7    1   -2    0.7266   -0.1722    0.7260   -0.0804    0.0919    0
   18   -6    1    0    1.0231   -0.4647    1.0655   -0.4953    0.0523    0
   19   -4   -1   -3    0.0258    0.0378    0.0407    0.0272    0.0183    0
   20   -2    0   -1    0.4170    0.1532    0.4436    0.1639    0.0287    0
   21    3    1    3   -0.0388   -0.0634   -0.0357   -0.0605    0.0042    1
   22   -7   -1   -2    0.2340    0.3198    0.2970    0.3320    0.0642    0
   23   -3   -1    0    0.0399    0.2545    0.0342    0.2676    0.0143    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7286   -0.0556   -0.7289   -0.0565    0.0009    1
    2    1    1    1   -0.0135   -0.1777   -0.0133   -0.1793    0.0016    1
    3   -1   -1    1   -0.0249    0.0850   -0.0241    0.0824    0.0027    1
    4    0    1    3   -0.1964   -0.5870   -0.1976   -0.5890    0.0023    1
    5    0    1    0    0.0575   -0.2268    0.0566   -0.2258    0.0014    1
    6    0   -1    3   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1    1    1    0.1203   -0.5974    0.1201   -0.5972    0.0003    1
    8   -1    1   -1    0.1453   -0.2223    0.1441   -0.2219    0.0013    1
    9    2   -1    7   -0.1829    0.0695   -0.1940    0.0483    0.0239    0
   10   -3    1   -3    0.2267   -0.1275    0.2267   -0.1283    0.0008    1
   11   -3    1    0    0.5351   -0.6132    0.5314   -0.6143    0.0038    1
   12    1    0    2   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13   -5    1   -5    0.2253   -0.0604    0.1981   -0.0091    0.0580    0
   14   -6    1   -3    0.5290   -0.1487    0.5323   -0.1459    0.0043    1
   15    2    1    7   -0.3469   -0.3087   -0.3358   -0.2354    0.0741    0
   16   -1    0   -1    0.1245    0.0353    0.1256    0.0356    0.0012    1
   17   -7    1   -2    0.7568   -0.1907    0.7260   -0.0804    0.1145    0
   18   -6    1    0    1.0580   -0.5105    1.0655   -0.4953    0.0170    1
   19   -5    0   -6    0.0395    0.0103    0.0407    0.0272    0.0170    1
   20   -2    0   -1    0.4411    0.1642    0.4436    0.1639    0.0025    1
   21    3    1    3   -0.0355   -0.0607   -0.0357   -0.0605    0.0003    1
   22   -7   -1   -2    0.2387    0.3441    0.2970    0.3320    0.0595    0
   23   -3   -1    0    0.0341    0.2666    0.0342    0.2676    0.0010    1

###                                ###
### Candidates for       Triclinic ###
###                                ###

###            No.1                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0876    1.0889    1.0938  109.6323  109.1807  109.3691      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0934    1.0901    1.0886  109.3219  109.2457  109.7429      0.0000         1.0044    1.0014
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0110    0.0227    0.0250    0.7763    0.7475    0.6842      0.0000         0.0191    0.0172
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9024   -0.0748   -0.6621)
 a2 = (   -0.9462    0.5357    0.2833)
 a3 = (   -0.3326    0.8920   -0.5848)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9009   -0.0667   -0.6617) (    0.0067    0.0129    0.0091)
 a2 = (   -0.9478    0.5333    0.2828) (    0.0123    0.0132    0.0090)
 a3 = (   -0.3304    0.8989   -0.5842) (    0.0148    0.0242    0.0100)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -43.0072  119.9641  159.2558    0.6439    0.5964    0.5775
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             83             91
# Figure of merit at the beginning and the end of the refinement
        39.6052        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0492    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7286   -0.0604   -0.7289   -0.0565    0.0039    1
    2   -2    1    2   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1   -1   -2   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -2    1    1   -0.1946   -0.5834   -0.1976   -0.5890    0.0063    1
    5   -1    1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1   -1   -0.1050    0.1172   -0.1046    0.1173    0.0004    1
    7   -2    2    1    0.1182   -0.5945    0.1201   -0.5972    0.0033    1
    8   -1    2    1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1   -1    0   -0.1929    0.0481   -0.1940    0.0483    0.0011    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    2    0    0.5302   -0.6139    0.5314   -0.6143    0.0012    1
   12   -2   -1    1   -0.1807   -0.0378   -0.1815   -0.0378    0.0009    1
   13    1    2   -1    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    0    3   -1    0.5293   -0.1510    0.5323   -0.1459    0.0059    1
   15   -2    0    1   -0.3347   -0.2368   -0.3358   -0.2354    0.0018    1
   16    1    1   -1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    0    2   -1    0.7284   -0.0838    0.7260   -0.0804    0.0042    1
   18   -1    3   -1    1.0522   -0.5182    1.0655   -0.4953    0.0266    1
   19    2    1   -2    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1    2   -2    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21   -1    0    1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    1   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    0   -2    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -2    1    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -1   -2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2    1    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2    2    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    2    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -1    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    2    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -2   -1    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    2   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0    3   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2    0    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0    2   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    3   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    2    1   -2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    2   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    0    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    1   -2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    0   -2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.2                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0901    1.0907    1.0907  109.1731  109.5696  109.5309      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0901    1.0934    1.0886  109.2457  109.3219  109.7429      0.0000         1.0014    1.0044
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0108    0.0144    0.0186    0.7475    0.7763    0.6842      0.0000         0.0172    0.0191
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9462   -0.5357   -0.2833)
 a2 = (    0.9017    0.0699    0.6612)
 a3 = (    0.3318   -0.8970    0.5839)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9478   -0.5333   -0.2828) (    0.0052    0.0086    0.0062)
 a2 = (    0.9009    0.0667    0.6617) (    0.0169    0.0131    0.0103)
 a3 = (    0.3304   -0.8989    0.5842) (    0.0175    0.0193    0.0101)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.8892   60.0359  -20.7442    0.3787    0.5964    0.5775
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             85             91
# Figure of merit at the beginning and the end of the refinement
        48.7903        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0299    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    2   -2   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1   -1    2   -0.0253    0.0856   -0.0241    0.0824    0.0034    1
    4   -1    2   -1   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5   -1    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    0    1   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -2    2   -1    0.1189   -0.5953    0.1201   -0.5972    0.0022    1
    8   -2    1   -1    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    1    0   -0.1923    0.0485   -0.1940    0.0483    0.0018    1
   10   -1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1    0    0.5325   -0.6134    0.5314   -0.6143    0.0014    1
   12    1    2   -1   -0.1805   -0.0374   -0.1815   -0.0378    0.0011    1
   13   -2   -1    1    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14   -3    0    1    0.5294   -0.1500    0.5323   -0.1459    0.0050    1
   15    0    2   -1   -0.3354   -0.2363   -0.3358   -0.2354    0.0010    1
   16   -1   -1    1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17   -2    0    1    0.7280   -0.0814    0.7260   -0.0804    0.0023    1
   18   -3    1    1    1.0557   -0.5130    1.0655   -0.4953    0.0203    1
   19   -1   -2    2    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20   -2   -1    2    0.4425    0.1646    0.4436    0.1639    0.0013    1
   21    0    1   -1   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -1   -1    2    0.2954    0.3313    0.2970    0.3320    0.0017    1
   23    0   -1    2    0.0342    0.2675    0.0342    0.2676    0.0002    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    2   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -1    2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    0    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2    2   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -2    1   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    1    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    0    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    1    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2   -1    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    0    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0    2   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -2    0    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -3    1    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -2    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2   -1    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1   -1    2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0   -1    2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.3                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0887    1.0910    1.0911  109.3749  109.4600  109.3911      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0934    1.0901    1.0925  109.2687  109.5928  109.7429      0.0000         1.0008    0.9977
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0126    0.0169    0.0184    0.6614    1.0505    0.6842      0.0000         0.0140    0.0196
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5689    0.9651    0.0787)
 a2 = (    0.6102    0.3595   -0.8677)
 a3 = (   -0.3356    0.8950   -0.5845)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5705    0.9656    0.0775) (    0.0096    0.0057    0.0064)
 a2 = (    0.6174    0.3656   -0.8670) (    0.0157    0.0134    0.0127)
 a3 = (   -0.3304    0.8989   -0.5842) (    0.0195    0.0145    0.0105)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  175.7715  110.7796 -122.0772    0.3506    0.7466    0.5881
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             75             91
# Figure of merit at the beginning and the end of the refinement
        50.5584        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0381    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2   -1    1   -0.0138   -0.1776   -0.0133   -0.1793    0.0018    1
    3   -1    1   -2   -0.0254    0.0854   -0.0241    0.0824    0.0033    1
    4    2   -1    0   -0.1970   -0.5865   -0.1976   -0.5890    0.0026    1
    5    1   -1    1    0.0570   -0.2268    0.0566   -0.2258    0.0011    1
    6    0    1   -2   -0.1047    0.1169   -0.1046    0.1173    0.0004    1
    7    2   -2    1    0.1187   -0.5976    0.1201   -0.5972    0.0015    1
    8    1   -2    2    0.1447   -0.2228    0.1441   -0.2219    0.0010    1
    9    1    1   -2   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2    1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    2    1   -2   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13   -1   -2    2    0.1978   -0.0085    0.1981   -0.0091    0.0007    1
   14    0   -3    2    0.5303   -0.1508    0.5323   -0.1459    0.0053    1
   15    2    0   -1   -0.3371   -0.2369   -0.3358   -0.2354    0.0020    1
   16   -1   -1    1    0.1249    0.0354    0.1256    0.0356    0.0007    1
   17    0   -2    1    0.7302   -0.0826    0.7260   -0.0804    0.0048    1
   18    1   -3    1    1.0593   -0.5183    1.0655   -0.4953    0.0238    1
   19   -2   -1    1    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -1   -2    1    0.4434    0.1647    0.4436    0.1639    0.0008    1
   21    1    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -1    0    0.2958    0.3323    0.2970    0.3320    0.0012    1
   23   -1    0   -1    0.0336    0.2677    0.0342    0.2676    0.0006    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    2   -1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    1   -2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    2   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    2   -2    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -2    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    1   -2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -2    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    2    1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -2    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -3    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    2    0   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0   -2    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1   -3    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -2   -1    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    0    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1   -1    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    0   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.4                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0823    1.0901    1.0930  109.6822  109.1350  108.9938      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0886    1.0925    1.0901  109.2687  109.3219  109.6556      0.0000         0.9986    1.0023
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0104    0.0184    0.0169    0.6614    0.7763    0.9035      0.0000         0.0171    0.0196
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5683   -0.9642   -0.0771)
 a2 = (   -0.8975   -0.0551   -0.6637)
 a3 = (    0.0461   -0.5893   -0.9462)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5705   -0.9656   -0.0775) (    0.0096    0.0057    0.0064)
 a2 = (   -0.9009   -0.0667   -0.6617) (    0.0204    0.0130    0.0107)
 a3 = (    0.0469   -0.6000   -0.9445) (    0.0150    0.0123    0.0130)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -173.8767  139.7382   64.1054    0.5176    0.6478    0.7015
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             77             91
# Figure of merit at the beginning and the end of the refinement
        34.7489        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0624    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7367   -0.0452   -0.7289   -0.0565    0.0137    1
    2   -2    1   -1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    2   -2    1   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4   -1    0   -1   -0.1989   -0.5918   -0.1976   -0.5890    0.0031    1
    5   -1    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -2    1   -0.1045    0.1185   -0.1046    0.1173    0.0013    1
    7   -1    1   -2    0.1213   -0.6009    0.1201   -0.5972    0.0039    1
    8   -1    2   -2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    0   -2    1   -0.1939    0.0505   -0.1940    0.0483    0.0021    1
   10    0    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0    1   -2    0.5424   -0.6157    0.5314   -0.6143    0.0111    1
   12   -1   -2    1   -0.1828   -0.0368   -0.1815   -0.0378    0.0016    1
   13    1    2   -2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    1    2   -3    0.5323   -0.1476    0.5323   -0.1459    0.0016    1
   15   -1   -1    0   -0.3406   -0.2369   -0.3358   -0.2354    0.0051    1
   16    1    1   -1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    1    1   -2    0.7314   -0.0748    0.7260   -0.0804    0.0077    1
   18    1    1   -3    1.0737   -0.5011    1.0655   -0.4953    0.0101    1
   19    2    1   -1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    2    1   -2    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21   -1    0    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    2    0   -1    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23    2   -1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -2    1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    2   -2    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    0   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    1   -2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    2   -2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0   -2    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    1   -2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1   -2    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    2   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    1   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1   -3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    2    1   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2    1   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    0    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    2    0   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    2   -1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.6                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0829    1.0901    1.0938  109.4110  109.3581  109.1442      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0901    1.0886    1.0934  109.2457  109.7429  109.3219      0.0000         0.9969    0.9956
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0108    0.0186    0.0144    0.7475    0.6842    0.7763      0.0000         0.0158    0.0189
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9478    0.5342    0.2844)
 a2 = (   -0.3244    0.8945   -0.5859)
 a3 = (   -0.8928   -0.0698   -0.6646)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9478    0.5333    0.2828) (    0.0052    0.0086    0.0062)
 a2 = (   -0.3304    0.8989   -0.5842) (    0.0175    0.0193    0.0101)
 a3 = (   -0.9009   -0.0667   -0.6617) (    0.0169    0.0131    0.0103)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  161.3282  128.1711  -41.1636    0.4799    0.6889    0.7647
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             95             91
# Figure of merit at the beginning and the end of the refinement
        36.0330        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0351    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7399   -0.0578   -0.7289   -0.0565    0.0110    1
    2    1    2   -2   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1   -2    1   -0.0252    0.0857   -0.0241    0.0824    0.0035    1
    4    1    1   -2   -0.1937   -0.5919   -0.1976   -0.5890    0.0048    1
    5    1    1   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -1    0   -0.1048    0.1177   -0.1046    0.1173    0.0005    1
    7    2    1   -2    0.1237   -0.5985    0.1201   -0.5972    0.0038    1
    8    2    1   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    0   -1   -0.1942    0.0490   -0.1940    0.0483    0.0007    1
   10    1    0    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    2    0   -1    0.5375   -0.6100    0.5314   -0.6143    0.0074    1
   12   -1    1   -2   -0.1826   -0.0379   -0.1815   -0.0378    0.0011    1
   13    2   -1    1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3   -1    0    0.5295   -0.1488    0.5323   -0.1459    0.0041    1
   15    0    1   -2   -0.3389   -0.2398   -0.3358   -0.2354    0.0054    1
   16    1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2   -1    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    3   -1   -1    1.0527   -0.5035    1.0655   -0.4953    0.0152    1
   19    1   -2    2    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    2   -2    1    0.4425    0.1635    0.4436    0.1639    0.0011    1
   21    0    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -2    1    0.2972    0.3303    0.2970    0.3320    0.0017    1
   23    0   -2    1    0.0352    0.2683    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    2   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -2    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    2    1   -2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    2    1   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    0   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    0    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    0   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    2   -1    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3   -1    0    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0    1   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2   -1    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    3   -1   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -2    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2   -2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -2    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0   -2    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.9                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0839    1.0862    1.0970  110.2698  109.0104  108.6479      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0934    1.0925    1.0901  109.2687  109.7429  109.5928      0.0000         1.0031    1.0023
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0126    0.0184    0.0169    0.6614    0.6842    1.0505      0.0000         0.0159    0.0196
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5663   -0.9607   -0.0768)
 a2 = (    0.3470   -0.8899    0.5929)
 a3 = (   -0.5933   -0.3576    0.8743)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5705   -0.9656   -0.0775) (    0.0096    0.0057    0.0064)
 a2 = (    0.3304   -0.8989    0.5842) (    0.0195    0.0145    0.0105)
 a3 = (   -0.6174   -0.3656    0.8670) (    0.0157    0.0134    0.0127)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -6.1233   40.2618 -115.8946    0.5176    0.6478    0.7015
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         7.7680        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.1141    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2   -1    1   -0.0138   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1    2   -1   -0.0273    0.0902   -0.0241    0.0824    0.0084    1
    4   -2    0    1   -0.2026   -0.5875   -0.1976   -0.5890    0.0052    1
    5   -1   -1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    2   -1   -0.1089    0.1204   -0.1046    0.1173    0.0053    1
    7   -2   -1    2    0.1153   -0.6026    0.1201   -0.5972    0.0073    1
    8   -1   -2    2    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1    2   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -1    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -2    2   -1   -0.1843   -0.0380   -0.1815   -0.0378    0.0028    1
   13    1   -2    2    0.1983   -0.0084    0.1981   -0.0091    0.0007    1
   14    0   -2    3    0.5371   -0.1535    0.5323   -0.1459    0.0090    1
   15   -2    1    0   -0.3395   -0.2367   -0.3358   -0.2354    0.0039    1
   16    1   -1    1    0.1257    0.0357    0.1256    0.0356    0.0002    1
   17    0   -1    2    0.7440   -0.0848    0.7260   -0.0804    0.0186    1
   18   -1   -1    3    1.0815   -0.5390    1.0655   -0.4953    0.0466    0
   19    2   -1    1    0.0426    0.0285    0.0407    0.0272    0.0022    1
   20    1   -1    2    0.4507    0.1687    0.4436    0.1639    0.0086    1
   21   -1    0    0   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22    1    0    1    0.3000    0.3411    0.2970    0.3320    0.0096    1
   23    1    1    0    0.0326    0.2750    0.0342    0.2676    0.0075    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -2   -1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    2   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2    0    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1   -1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2   -1    2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -2    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    2   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -1    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -2    2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -2    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -2    3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2    1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0   -1    2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -1    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    2   -1    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -1    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    0    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    0    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.11                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0904    1.0905    1.0917  109.6336  109.1811  109.5418      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0925    1.0886    1.0901  109.3219  109.2687  109.6556      0.0000         1.0023    0.9986
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0098    0.0250    0.0227    0.7763    0.6614    0.9035      0.0000         0.0196    0.0171
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9038    0.0667    0.6602)
 a2 = (    0.5696    0.9663    0.0777)
 a3 = (   -0.0432    0.6028    0.9437)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9009    0.0667    0.6617) (    0.0067    0.0129    0.0091)
 a2 = (    0.5705    0.9656    0.0775) (    0.0117    0.0200    0.0062)
 a3 = (   -0.0469    0.6000    0.9445) (    0.0155    0.0147    0.0148)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  113.8877   40.2618 -115.8946    0.8420    0.6478    0.7015
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             83             91
# Figure of merit at the beginning and the end of the refinement
        46.4461        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0284    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7265   -0.0536   -0.7289   -0.0565    0.0038    1
    2   -1    2    1   -0.0138   -0.1767   -0.0133   -0.1793    0.0027    1
    3    2   -2   -1   -0.0251    0.0847   -0.0241    0.0824    0.0025    1
    4    0    1    1   -0.1963   -0.5851   -0.1976   -0.5890    0.0041    1
    5   -1    1    1    0.0568   -0.2261    0.0566   -0.2258    0.0004    1
    6    2   -1   -1   -0.1035    0.1159   -0.1046    0.1173    0.0018    1
    7   -1    1    2    0.1191   -0.5960    0.1201   -0.5972    0.0015    1
    8   -2    1    2    0.1445   -0.2224    0.1441   -0.2219    0.0006    1
    9    2    0   -1   -0.1912    0.0485   -0.1940    0.0483    0.0028    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0    2    0.5335   -0.6137    0.5314   -0.6143    0.0022    1
   12    2    1   -1   -0.1802   -0.0370   -0.1815   -0.0378    0.0016    1
   13   -2   -1    2    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2   -1    3    0.5293   -0.1497    0.5323   -0.1459    0.0048    1
   15    1    1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    2    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -1   -1    3    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1   -2    1    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20   -1   -2    2    0.4420    0.1647    0.4436    0.1639    0.0018    1
   21    0    1    0   -0.0352   -0.0597   -0.0357   -0.0605    0.0010    1
   22    0   -2    1    0.2944    0.3311    0.2970    0.3320    0.0028    1
   23    1   -2    0    0.0336    0.2663    0.0342    0.2676    0.0015    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    2    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    2   -2   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    2   -1   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    1    2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -2    1    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    2    0   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    0    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    2    1   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2   -1    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -1    3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -1    2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -1    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -2    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -2    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0   -2    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -2    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.13                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0871    1.0885    1.0935  109.4663  109.3212  109.3122      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0901    1.0934    1.0925  109.5928  109.2687  109.7429      0.0000         0.9977    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0099    0.0196    0.0219    1.0505    0.6614    0.6842      0.0000         0.0196    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6135   -0.3565    0.8695)
 a2 = (   -0.5683   -0.9641   -0.0786)
 a3 = (    0.3341   -0.8906    0.5851)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6174   -0.3656    0.8670) (    0.0109    0.0142    0.0073)
 a2 = (   -0.5705   -0.9656   -0.0775) (    0.0108    0.0146    0.0068)
 a3 = (    0.3304   -0.8989    0.5842) (    0.0210    0.0174    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  124.5114   69.2204   57.9228    0.6310    0.7466    0.5881
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             89             91
# Figure of merit at the beginning and the end of the refinement
        42.6995        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0385    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7307   -0.0595   -0.7289   -0.0565    0.0035    1
    2    1   -2   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1    1    2   -0.0255    0.0854   -0.0241    0.0824    0.0033    1
    4    1   -2    0   -0.1957   -0.5882   -0.1976   -0.5890    0.0021    1
    5    1   -1   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    0    2   -0.1050    0.1167   -0.1046    0.1173    0.0007    1
    7    2   -2   -1    0.1207   -0.5983    0.1201   -0.5972    0.0013    1
    8    2   -1   -2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1   -1    2   -0.1931    0.0481   -0.1940    0.0483    0.0010    1
   10    1    0   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    2   -1   -1    0.5346   -0.6146    0.5314   -0.6143    0.0031    1
   12   -1   -2    2   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    2    1   -2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    0   -2    0.5305   -0.1505    0.5323   -0.1459    0.0049    1
   15    0   -2    1   -0.3371   -0.2378   -0.3358   -0.2354    0.0027    1
   16    1    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    0   -1    0.7296   -0.0830    0.7260   -0.0804    0.0045    1
   18    3   -1   -1    1.0562   -0.5162    1.0655   -0.4953    0.0229    1
   19    1    2   -1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    2    1   -1    0.4443    0.1641    0.4436    0.1639    0.0008    1
   21    0   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1    0    0.2976    0.3325    0.2970    0.3320    0.0008    1
   23    0    1    1    0.0339    0.2688    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    1    2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -2    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    2   -2   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    2   -1   -2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -1    2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -1   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1   -2    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    2    1   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3    0   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0   -2    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2    0   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    3   -1   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    2   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    1    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0    1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.15                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0900    1.0906    1.0908  109.6411  109.5376  109.0935      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0925    1.0901    1.0934  109.7429  109.5928  109.2687      0.0000         0.9992    0.9969
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0130    0.0214    0.0195    0.6842    1.0505    0.6614      0.0000         0.0140    0.0158
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3367   -0.8969    0.5811)
 a2 = (   -0.6122   -0.3621    0.8659)
 a3 = (   -0.5691   -0.9654   -0.0787)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3304   -0.8989    0.5842) (    0.0178    0.0089    0.0095)
 a2 = (   -0.6174   -0.3656    0.8670) (    0.0196    0.0115    0.0137)
 a3 = (   -0.5705   -0.9656   -0.0775) (    0.0140    0.0119    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   41.4835  128.1711  -41.1636    0.6858    0.6889    0.7647
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             93             91
# Figure of merit at the beginning and the end of the refinement
        41.3294        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0305    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7244   -0.0548   -0.7289   -0.0565    0.0048    1
    2   -1    1   -2   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    2   -1    1   -0.0249    0.0834   -0.0241    0.0824    0.0012    1
    4    0    1   -2   -0.1966   -0.5864   -0.1976   -0.5890    0.0027    1
    5   -1    1   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    2   -1    0   -0.1029    0.1146   -0.1046    0.1173    0.0032    1
    7   -1    2   -2    0.1202   -0.5976    0.1201   -0.5972    0.0005    1
    8   -2    2   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    2   -1   -1   -0.1902    0.0478   -0.1940    0.0483    0.0038    1
   10   -1    1    0    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    2   -1    0.5350   -0.6137    0.5314   -0.6143    0.0036    1
   12    2   -1   -2   -0.1796   -0.0370   -0.1815   -0.0378    0.0021    1
   13   -2    2    1    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -2    3    0    0.5297   -0.1493    0.5323   -0.1459    0.0043    1
   15    1    0   -2   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    2    0    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18   -1    3   -1    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1    1    2    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -1    2    1    0.4420    0.1644    0.4436    0.1639    0.0017    1
   21    0    0   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    1    1    0.2945    0.3309    0.2970    0.3320    0.0027    1
   23    1    0    1    0.0331    0.2656    0.0342    0.2676    0.0023    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    1   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    2   -1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    2   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    2   -2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -2    2   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    2   -1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    2   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    2   -1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2    2    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    3    0    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    0   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    2    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    3   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    1    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    0   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0    1    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    0    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.21                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0750    1.0834    1.0970  108.1328  110.2226  108.6462      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0925    1.0934    1.0901  109.7429  109.2687  109.5928      0.0000         1.0023    1.0031
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0130    0.0195    0.0214    0.6842    0.6614    1.0505      0.0000         0.0196    0.0159
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3720    0.8874   -0.5914)
 a2 = (    0.5466    0.9586    0.0821)
 a3 = (    0.5737    0.3521   -0.8745)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3304    0.8989   -0.5842) (    0.0178    0.0089    0.0095)
 a2 = (    0.5705    0.9656    0.0775) (    0.0140    0.0119    0.0067)
 a3 = (    0.6174    0.3656   -0.8670) (    0.0196    0.0115    0.0137)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -53.6859  139.7382   64.1054    1.0378    0.6478    0.7015
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         3.3278        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.3123    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    2   -1   -0.0109   -0.1817   -0.0133   -0.1793    0.0034    1
    3   -2   -1    1   -0.0278    0.0860   -0.0241    0.0824    0.0051    1
    4    0    2   -1   -0.1984   -0.5978   -0.1976   -0.5890    0.0089    1
    5    1    1   -1    0.0610   -0.2282    0.0566   -0.2258    0.0050    1
    6   -2    0    1   -0.1080    0.1166   -0.1046    0.1173    0.0035    1
    7    1    2   -2    0.1226   -0.6044    0.1201   -0.5972    0.0077    1
    8    2    1   -2    0.1471   -0.2220    0.1441   -0.2219    0.0030    1
    9   -2    1    1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1   -2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -2    2    1   -0.1881   -0.0386   -0.1815   -0.0378    0.0066    1
   13    2   -1   -2    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    2    0   -3    0.5386   -0.1570    0.5323   -0.1459    0.0128    1
   15   -1    2    0   -0.3452   -0.2427   -0.3358   -0.2354    0.0119    1
   16    1   -1   -1    0.1246    0.0354    0.1256    0.0356    0.0010    1
   17    1    0   -2    0.7509   -0.0906    0.7260   -0.0804    0.0269    1
   18    2    1   -5    0.9695   -0.3077    1.0655   -0.4953    0.2107    0
   19    1   -2   -1    0.0399    0.0271    0.0407    0.0272    0.0008    1
   20    1   -1   -2    0.4563    0.1712    0.4436    0.1639    0.0147    1
   21    0    1    0   -0.0369   -0.0647   -0.0357   -0.0605    0.0043    1
   22    0   -1   -1    0.2986    0.3493    0.2970    0.3320    0.0174    1
   23   -1   -1    0    0.0259    0.2734    0.0342    0.2676    0.0101    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -2   -1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -2    0    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    2   -2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    2    1   -2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -2    1    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1   -2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -2    2    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    2   -1   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    0   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    2    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    0   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1   -3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -2   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -1   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0   -1   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1   -1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.22                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0876    1.0897    1.0931  109.5394  109.3885  109.2577      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0901    1.0886    1.0925  109.6556  109.2687  109.3219      0.0000         0.9977    0.9964
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0091    0.0196    0.0191    0.9035    0.6614    0.7763      0.0000         0.0196    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0489   -0.5993   -0.9479)
 a2 = (   -0.5680   -0.9637   -0.0786)
 a3 = (   -0.8983   -0.0654   -0.6637)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0469   -0.6000   -0.9445) (    0.0148    0.0086    0.0055)
 a2 = (   -0.5705   -0.9656   -0.0775) (    0.0118    0.0144    0.0061)
 a3 = (   -0.9009   -0.0667   -0.6617) (    0.0206    0.0127    0.0076)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -64.4228  110.7796 -122.0772    0.6345    0.7466    0.5881
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             95             91
# Figure of merit at the beginning and the end of the refinement
        42.4242        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0263    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7349   -0.0535   -0.7289   -0.0565    0.0067    1
    2   -1   -2    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1    2   -2   -0.0253    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1965   -0.5915   -0.1976   -0.5890    0.0028    1
    5   -1   -1    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    1    1   -2   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -2   -1    1    0.1225   -0.6001    0.1201   -0.5972    0.0038    1
    8   -2   -1    2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1    0   -2   -0.1931    0.0490   -0.1940    0.0483    0.0011    1
   10   -1    0    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -2    0    1    0.5392   -0.6133    0.5314   -0.6143    0.0078    1
   12    1   -1   -2   -0.1821   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -2    1    2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -3    1    2    0.5308   -0.1487    0.5323   -0.1459    0.0031    1
   15    0   -1   -1   -0.3392   -0.2380   -0.3358   -0.2354    0.0043    1
   16   -1    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1    1    0.7289   -0.0790    0.7260   -0.0804    0.0032    1
   18   -3    1    1    1.0616   -0.5059    1.0655   -0.4953    0.0114    1
   19   -1    2    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -2    2    1    0.4427    0.1649    0.4436    0.1639    0.0014    1
   21    0   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    2    0    0.2958    0.3315    0.2970    0.3320    0.0013    1
   23    0    2   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -2    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    2   -2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1   -1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2   -1    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -2   -1    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0   -2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    0    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    0    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2    1    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    1    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0   -1   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -2    1    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -3    1    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    2    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    2    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0    2   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.25                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0838    1.0838    1.0865  108.0800  109.6622  109.1731      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0934    1.0886    1.0925  109.6556  109.5928  109.2457      0.0000         1.0008    0.9964
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0104    0.0196    0.0191    0.9035    1.0505    0.7475      0.0000         0.0140    0.0190
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0268   -0.5993   -0.9451)
 a2 = (    0.5824    0.3840   -0.8619)
 a3 = (    0.9343   -0.5289   -0.2797)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0469   -0.6000   -0.9445) (    0.0148    0.0086    0.0055)
 a2 = (    0.6174    0.3656   -0.8670) (    0.0155    0.0171    0.0086)
 a3 = (    0.9478   -0.5333   -0.2828) (    0.0130    0.0095    0.0059)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -115.5772   69.2204   57.9228    0.6345    0.7466    0.5881
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         3.3930        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.2483    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -2    2   -1   -0.0126   -0.1778   -0.0133   -0.1793    0.0016    1
    3    1   -2    2   -0.0250    0.0830   -0.0241    0.0824    0.0010    1
    4   -2    1    0   -0.1953   -0.5845   -0.1976   -0.5890    0.0050    1
    5   -1    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1    2   -0.1043    0.1169   -0.1046    0.1173    0.0006    1
    7   -2    1   -1    0.1148   -0.5974    0.1201   -0.5972    0.0054    1
    8   -1    1   -2    0.1432   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1    0    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -2    1    2   -0.1867   -0.0408   -0.1815   -0.0378    0.0060    1
   13    1   -1   -2    0.1963   -0.0060    0.1981   -0.0091    0.0036    1
   14    0   -1   -2    0.5391   -0.1482    0.5323   -0.1459    0.0072    1
   15   -2    1    1   -0.3369   -0.2426   -0.3358   -0.2354    0.0073    1
   16    1   -1   -1    0.1207    0.0368    0.1256    0.0356    0.0050    1
   17    0   -1   -1    0.7459   -0.0713    0.7260   -0.0804    0.0219    1
   18   -1   -2   -2    0.9728   -0.2827    1.0655   -0.4953    0.2319    0
   19    2   -2   -1    0.0371    0.0261    0.0407    0.0272    0.0038    1
   20    1   -2   -1    0.4390    0.1776    0.4436    0.1639    0.0145    1
   21   -1    1    0   -0.0362   -0.0641   -0.0357   -0.0605    0.0036    1
   22    1   -2    0    0.2801    0.3365    0.2970    0.3320    0.0175    1
   23    1   -2    1    0.0279    0.2602    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -2    2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -2    2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2    1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1   -2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    0    2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -2    1    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -1   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -1   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2    1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0   -1   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -1   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    2   -2   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -2   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -2    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -2    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.27                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0892    1.0899    1.0909  109.3457  109.6401  109.1766      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0934    1.0886    1.0901  109.3219  109.7429  109.2457      0.0000         1.0031    0.9986
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0110    0.0250    0.0227    0.7763    0.6842    0.7475      0.0000         0.0159    0.0171
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9029    0.0700    0.6621)
 a2 = (    0.3282   -0.8954    0.5856)
 a3 = (    0.9442   -0.5346   -0.2827)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9009    0.0667    0.6617) (    0.0067    0.0129    0.0091)
 a2 = (    0.3304   -0.8989    0.5842) (    0.0148    0.0242    0.0100)
 a3 = (    0.9478   -0.5333   -0.2828) (    0.0123    0.0132    0.0090)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   66.1123  139.7382   64.1054    0.8420    0.6478    0.7015
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
             81             91
# Figure of merit at the beginning and the end of the refinement
        42.9605        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.0423    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2   -2   -1   -0.0146   -0.1755   -0.0133   -0.1793    0.0040    1
    3   -1    2    1   -0.0254    0.0871   -0.0241    0.0824    0.0049    1
    4    2   -1   -1   -0.1982   -0.5832   -0.1976   -0.5890    0.0058    1
    5    1   -1   -1    0.0556   -0.2258    0.0566   -0.2258    0.0009    1
    6    0    1    1   -0.1052    0.1182   -0.1046    0.1173    0.0011    1
    7    2   -1   -2    0.1165   -0.5969    0.1201   -0.5972    0.0036    1
    8    1   -1   -2    0.1438   -0.2226    0.1441   -0.2219    0.0008    1
    9    1    0    1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    0   -2    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    2   -1    1   -0.1806   -0.0373   -0.1815   -0.0378    0.0011    1
   13   -1    1   -2    0.1981   -0.0083    0.1981   -0.0091    0.0008    1
   14    0    1   -3    0.5300   -0.1499    0.5323   -0.1459    0.0046    1
   15    2   -1    0   -0.3353   -0.2349   -0.3358   -0.2354    0.0007    1
   16   -1    1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    1   -2    0.7286   -0.0811    0.7260   -0.0804    0.0027    1
   18    1    1   -3    1.0586   -0.5144    1.0655   -0.4953    0.0204    1
   19   -2    2   -1    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20   -1    2   -2    0.4424    0.1640    0.4436    0.1639    0.0012    1
   21    1   -1    0   -0.0348   -0.0585   -0.0357   -0.0605    0.0022    1
   22   -1    2   -1    0.2968    0.3305    0.2970    0.3320    0.0015    1
   23   -1    2    0    0.0356    0.2688    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    2   -2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    2    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    2   -1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    1    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    2   -1   -2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -1   -2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    0   -2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    2   -1    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    1   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0    1   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    2   -1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0    1   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1   -3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -2    2   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    2   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    2   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    2    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.30                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0637    1.0842    1.0979  111.5074  106.9766  107.6325      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0886    1.0934    1.0901  109.7429  109.3219  109.2457      0.0000         0.9986    1.0031
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0110    0.0195    0.0214    0.6842    0.7763    0.7475      0.0000         0.0171    0.0159
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2683    0.8958   -0.5933)
 a2 = (   -0.8990   -0.0697   -0.6592)
 a3 = (   -0.9256    0.5240    0.2771)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3304    0.8989   -0.5842) (    0.0178    0.0089    0.0095)
 a2 = (   -0.9009   -0.0667   -0.6617) (    0.0201    0.0137    0.0110)
 a3 = (   -0.9478    0.5333    0.2828) (    0.0166    0.0092    0.0084)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -126.3141   40.2618 -115.8946    1.0378    0.6478    0.7015
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400             91
# Figure of merit at the beginning and the end of the refinement
         4.5372        49.9505
# Chi-squares at the beginning and the end of the refinement
    0.8696    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3   -3    2   -0.0020   -0.1906   -0.0133   -0.1793    0.0159    1
    3   -2    1   -1   -0.0235    0.0994   -0.0241    0.0824    0.0170    1
    4    1   -2    1   -0.2166   -0.5589   -0.1976   -0.5890    0.0356    0
    5    1   -1    1    0.0439   -0.2216    0.0566   -0.2258    0.0134    1
    6   -1    0   -1   -0.1097    0.1305   -0.1046    0.1173    0.0142    1
    7    1   -2    2    0.0926   -0.5998    0.1201   -0.5972    0.0277    0
    8    1   -1    2    0.1365   -0.2252    0.1441   -0.2219    0.0083    1
    9    0   -1   -1   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -1    2    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12    1   -2   -1   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1    1    2    0.1965   -0.0065    0.1981   -0.0091    0.0030    1
   14   -1    0    3    0.5294   -0.1427    0.5323   -0.1459    0.0043    1
   15    1   -2    0   -0.3251   -0.2200   -0.3358   -0.2354    0.0187    1
   16   -1    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    0    2    0.7183   -0.0691    0.7260   -0.0804    0.0137    1
   18   -1   -1    3    1.0658   -0.4939    1.0655   -0.4953    0.0013    1
   19   -2    2    1    0.0470    0.0302    0.0407    0.0272    0.0069    1
   20   -2    1    2    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1   -1    0   -0.0312   -0.0478   -0.0357   -0.0605    0.0135    1
   22   -2    1    1    0.3006    0.3121    0.2970    0.3320    0.0203    1
   23   -2    1    0    0.0532    0.2730    0.0342    0.2676    0.0198    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    2   -2    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -2    1   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -2    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -2    2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -1    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0   -1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -1    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    1    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    0    3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -2    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    0    2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -1    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -2    2    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    1    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -2    1    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -2    1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.32                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8569    0.8687    1.4260   89.9865   88.1678   70.4961      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8663    0.8655    1.4148   90.1726   90.2148   70.5160      0.0000         0.6123    0.6117
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0059    0.0134    0.0265    0.7938    0.9875    1.1130      0.0000         0.0136    0.0132
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8147    0.9132   -0.1923)
 a2 = (   -0.3300   -0.9835   -0.6444)
 a3 = (   -0.3668   -0.2444    0.5460)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8067    0.9014   -0.1899) (    0.0129    0.0118    0.0078)
 a2 = (   -0.3318   -0.9881   -0.6448) (    0.0144    0.0160    0.0108)
 a3 = (   -0.3866   -0.2281    0.5460) (    0.0142    0.0099    0.0084)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -165.7970   39.2155  -59.2699    0.6042    0.5590    0.8049
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            115
# Figure of merit at the beginning and the end of the refinement
         3.3299        45.2041
# Chi-squares at the beginning and the end of the refinement
    0.2474    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7283   -0.0447   -0.7289   -0.0565    0.0118    1
    2    1   -2   -1   -0.0119   -0.1754   -0.0133   -0.1793    0.0042    1
    3   -2    1    1   -0.0262    0.0857   -0.0241    0.0824    0.0039    1
    4    0   -1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    1   -1    0    0.0572   -0.2238    0.0566   -0.2258    0.0021    1
    6   -1    0    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1   -2    1    0.1186   -0.5997    0.1201   -0.5972    0.0029    1
    8    2   -1    1    0.1435   -0.2209    0.1441   -0.2219    0.0012    1
    9   -2   -1   -1   -0.1948    0.0501   -0.1940    0.0483    0.0020    1
   10    1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    2    0.5427   -0.6272    0.5314   -0.6143    0.0171    1
   12   -1   -1   -1   -0.1844   -0.0384   -0.1815   -0.0378    0.0029    1
   13    2    1    3    0.1988   -0.0071    0.1981   -0.0091    0.0021    1
   14    1    0    2    0.5405   -0.1482    0.5323   -0.1459    0.0085    1
   15   -1   -2   -1   -0.3393   -0.2392   -0.3358   -0.2354    0.0051    1
   16    1    1    2    0.1248    0.0372    0.1256    0.0356    0.0017    1
   17    1    0    3    0.7483   -0.0704    0.7260   -0.0804    0.0244    1
   18    2   -1    6    0.8805   -0.3380    1.0655   -0.4953    0.2428    0
   19    1    2    3    0.0411    0.0285    0.0407    0.0272    0.0013    1
   20    1    1    4    0.4443    0.1783    0.4436    0.1639    0.0144    1
   21    0   -1   -1   -0.0344   -0.0606   -0.0357   -0.0605    0.0013    1
   22    0    1    3    0.2846    0.3416    0.2970    0.3320    0.0156    1
   23   -1    1    2    0.0277    0.2654    0.0342    0.2676    0.0069    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1   -2   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -2    1    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0   -1    0   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1   -1    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    0    0   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    1   -2    1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    2   -1    1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -2   -1   -1   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1    0    1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1   -1    2    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1   -1   -1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    2    1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    1    0    2    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -1   -2   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1    1    2    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1    0    3    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    1   -1    4    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19    1    2    3    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    1    4    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    0   -1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0    1    3    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1    1    2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.33                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8757    0.8758    1.3902   89.8347   88.9706   69.7235      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8671    0.8678    1.4106   89.6967   89.7924   70.4072      0.0000         0.6147    0.6152
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0057    0.0128    0.0243    0.7503    0.9020    1.0505      0.0000         0.0123    0.0110
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8008   -0.8977    0.1882)
 a2 = (    0.3093    0.9837    0.6469)
 a3 = (   -0.4058   -0.2295    0.5479)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8052   -0.9022    0.1898) (    0.0127    0.0115    0.0077)
 a2 = (    0.3298    0.9863    0.6438) (    0.0133    0.0155    0.0107)
 a3 = (   -0.3889   -0.2303    0.5462) (    0.0123    0.0088    0.0084)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   14.1776   39.2874  -59.3158    0.5877    0.5388    0.7978
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            123            115
# Figure of merit at the beginning and the end of the refinement
        13.1329        44.4336
# Chi-squares at the beginning and the end of the refinement
    0.1989    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -1    2   -1   -0.0130   -0.1793   -0.0133   -0.1793    0.0003    1
    3    2   -1    1   -0.0250    0.0848   -0.0241    0.0824    0.0026    1
    4    0    1    0   -0.1881   -0.5984   -0.1976   -0.5890    0.0134    1
    5   -1    1    0    0.0596   -0.2282    0.0566   -0.2258    0.0039    1
    6    1    0    0   -0.1041    0.1167   -0.1046    0.1173    0.0007    1
    7   -1    2    1    0.1333   -0.5976    0.1201   -0.5972    0.0132    1
    8   -2    1    1    0.1481   -0.2224    0.1441   -0.2219    0.0040    1
    9    2    1   -1   -0.1930    0.0485   -0.1940    0.0483    0.0011    1
   10   -1    0    1    0.2282   -0.1263    0.2267   -0.1283    0.0025    1
   11   -1    1    2    0.5444   -0.5942    0.5314   -0.6143    0.0239    1
   12    1    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -2   -1    3    0.1980   -0.0078    0.1981   -0.0091    0.0013    1
   14   -1    0    2    0.5241   -0.1426    0.5323   -0.1459    0.0089    1
   15    1    2   -1   -0.3396   -0.2418   -0.3358   -0.2354    0.0074    1
   16   -1   -1    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    0    3    0.7135   -0.0739    0.7260   -0.0804    0.0140    1
   18   -1    1    4    1.0379   -0.4728    1.0655   -0.4953    0.0356    1
   19   -1   -2    3    0.0425    0.0283    0.0407    0.0272    0.0020    1
   20   -1   -1    4    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    0    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -1    3    0.2968    0.3251    0.2970    0.3320    0.0069    1
   23    1   -1    2    0.0366    0.2672    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    2   -1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    0    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    2    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -2    1    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    2    1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    0    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    1   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2   -1    3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    0    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    2   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    0    3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    1    4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -2    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1    4    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0   -1    3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -1    2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.34                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8738    0.8779    1.3936   89.1429   89.6569   69.3288      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8678    0.8671    1.4106   89.7924   89.6967   70.4072      0.0000         0.6152    0.6147
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0057    0.0139    0.0216    0.9020    0.7503    1.0505      0.0000         0.0110    0.0123
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3138   -0.9902   -0.6460)
 a2 = (   -0.7936    0.9044   -0.1870)
 a3 = (    0.4048    0.2290   -0.5466)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3298   -0.9863   -0.6438) (    0.0126    0.0057    0.0070)
 a2 = (   -0.8052    0.9022   -0.1898) (    0.0180    0.0160    0.0081)
 a3 = (    0.3889    0.2303   -0.5462) (    0.0106    0.0099    0.0075)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -123.7697  140.7126  120.6842    0.8642    0.5388    0.7978
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            123            115
# Figure of merit at the beginning and the end of the refinement
        15.2004        44.4336
# Chi-squares at the beginning and the end of the refinement
    0.1267    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -2    1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    1   -2   -1   -0.0240    0.0838   -0.0241    0.0824    0.0014    1
    4   -1    0    0   -0.1879   -0.5929   -0.1976   -0.5890    0.0105    1
    5   -1    1    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6    0   -1    0   -0.1025    0.1168   -0.1046    0.1173    0.0022    1
    7   -2    1   -1    0.1278   -0.5944    0.1201   -0.5972    0.0081    1
    8   -1    2   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1   -2    1   -0.1927    0.0493   -0.1940    0.0483    0.0016    1
   10    0    1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11   -1    1   -2    0.5370   -0.5984    0.5314   -0.6143    0.0169    1
   12   -1   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    2   -3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    0    1   -2    0.5245   -0.1461    0.5323   -0.1459    0.0078    1
   15   -2   -1    1   -0.3380   -0.2416   -0.3358   -0.2354    0.0066    1
   16    1    1   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    1   -3    0.7150   -0.0775    0.7260   -0.0804    0.0114    1
   18   -1    1   -4    1.0351   -0.4827    1.0655   -0.4953    0.0329    1
   19    2    1   -3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    1    1   -4    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -1    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    0   -3    0.2950    0.3237    0.2970    0.3320    0.0085    1
   23    1   -1   -2    0.0371    0.2644    0.0342    0.2676    0.0044    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -2    1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -2   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    0    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2    1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    2   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -2    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1   -2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1   -1    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    2   -3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0    1   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2   -1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0    1   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    1   -4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    2    1   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    1   -4    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    0    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    0   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -1   -2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.36                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8625    0.8662    1.4162   89.8114   89.4273   70.9309      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8640    0.8652    1.4177   89.7172   89.7728   70.6781      0.0000         0.6095    0.6103
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0041    0.0160    0.0319    0.6789    0.8227    0.7763      0.0000         0.0140    0.0127
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1619    1.1718   -0.3250)
 a2 = (    0.6203   -0.7170   -0.7701)
 a3 = (   -0.5683   -0.0441   -0.4168)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1512    1.1745   -0.3192) (    0.0148    0.0029    0.0084)
 a2 = (    0.6266   -0.7140   -0.7732) (    0.0151    0.0138    0.0138)
 a3 = (   -0.5675   -0.0420   -0.4168) (    0.0153    0.0085    0.0080)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -161.1012  126.5359  -85.8174    0.5073    0.5525    0.6597
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            149            155
# Figure of merit at the beginning and the end of the refinement
        20.6530        38.2732
# Chi-squares at the beginning and the end of the refinement
    0.0906    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    2   -1   -1   -0.0150   -0.1716   -0.0133   -0.1793    0.0079    1
    3   -2    1   -1   -0.0261    0.0909   -0.0241    0.0824    0.0087    1
    4    1   -1   -2   -0.1985   -0.5787   -0.1976   -0.5890    0.0103    1
    5    1   -1    0    0.0540   -0.2225    0.0566   -0.2258    0.0041    1
    6   -1    1   -2   -0.1071    0.1209   -0.1046    0.1173    0.0043    1
    7    1   -2   -1    0.1144   -0.5938    0.1201   -0.5972    0.0066    1
    8    1   -2    1    0.1418   -0.2205    0.1441   -0.2219    0.0027    1
    9    0    1   -3   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10    0   -1    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11    0   -1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1    1   -4   -0.1795   -0.0371   -0.1815   -0.0378    0.0021    1
   13   -1   -2    3    0.1975   -0.0083    0.1981   -0.0091    0.0010    1
   14   -1   -3    2    0.5282   -0.1490    0.5323   -0.1459    0.0051    1
   15    1    0   -3   -0.3331   -0.2327   -0.3358   -0.2354    0.0038    1
   16   -1   -1    2    0.1262    0.0357    0.1256    0.0356    0.0006    1
   17   -1   -2    1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -1   -3    0    1.0554   -0.5109    1.0655   -0.4953    0.0186    1
   19   -2   -1    3    0.0445    0.0295    0.0407    0.0272    0.0044    1
   20   -1   -1    1    0.4419    0.1633    0.4436    0.1639    0.0017    1
   21    1    0   -1   -0.0333   -0.0555   -0.0357   -0.0605    0.0056    1
   22   -2   -1    1    0.2988    0.3301    0.2970    0.3320    0.0027    1
   23   -1    0    0    0.0376    0.2721    0.0342    0.2676    0.0056    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    2   -1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -2    1   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -1   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -2   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -2    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0    1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -1    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    1   -4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -2    3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -3    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    0   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -2    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -3    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -2   -1    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    0   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -2   -1    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    0    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.37                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8656    0.8658    1.4180   89.3663   89.6023   70.2252      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8678    0.8652    1.4151   90.0114   89.7575   70.2571      0.0000         0.6133    0.6114
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0037    0.0147    0.0246    0.7639    1.0846    0.6842      0.0000         0.0109    0.0120
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9306    0.6524    0.4640)
 a2 = (   -0.9851    0.1090    0.7240)
 a3 = (    0.2125   -0.5660    0.3633)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9269    0.6503    0.4657) (    0.0079    0.0103    0.0072)
 a2 = (   -0.9860    0.1057    0.7244) (    0.0166    0.0112    0.0123)
 a3 = (    0.2081   -0.5663    0.3680) (    0.0108    0.0138    0.0063)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   26.4900   58.5097   20.4622    0.4544    0.5408    0.5448
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            157            155
# Figure of merit at the beginning and the end of the refinement
        22.4582        38.2732
# Chi-squares at the beginning and the end of the refinement
    0.0525    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7196   -0.0544   -0.7289   -0.0565    0.0095    1
    2    2    1   -3   -0.0138   -0.1796   -0.0133   -0.1793    0.0006    1
    3   -1   -1    4   -0.0240    0.0804   -0.0241    0.0824    0.0020    1
    4    2    1   -1   -0.1962   -0.5852   -0.1976   -0.5890    0.0040    1
    5    1    1   -2    0.0580   -0.2290    0.0566   -0.2258    0.0036    1
    6    0   -1    3   -0.1006    0.1121   -0.1046    0.1173    0.0065    1
    7    1    1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1    2   -3    0.1465   -0.2244    0.1441   -0.2219    0.0035    1
    9    1   -1    2   -0.1875    0.0471   -0.1940    0.0483    0.0067    1
   10    0    1   -1    0.2286   -0.1288    0.2267   -0.1283    0.0020    1
   11    1    2   -1    0.5340   -0.6127    0.5314   -0.6143    0.0031    1
   12    2   -1    1   -0.1779   -0.0366   -0.1815   -0.0378    0.0038    1
   13   -1    2   -1    0.1990   -0.0084    0.1981   -0.0091    0.0011    1
   14    0    3   -1    0.5289   -0.1491    0.5323   -0.1459    0.0046    1
   15    1    0    0   -0.3343   -0.2344   -0.3358   -0.2354    0.0018    1
   16   -1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    1    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    1    3    0    1.0550   -0.5104    1.0655   -0.4953    0.0184    1
   19   -2    1    1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20   -1    2    1    0.4402    0.1638    0.4436    0.1639    0.0034    1
   21    1    0   -1   -0.0362   -0.0614   -0.0357   -0.0605    0.0010    1
   22   -1    1    2    0.2924    0.3286    0.2970    0.3320    0.0057    1
   23   -1    0    3    0.0327    0.2622    0.0342    0.2676    0.0057    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    2    1   -3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -1    4   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    2    1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    1   -2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1    3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    2   -3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -1    2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    2   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    2   -1    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    2   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0    3   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    0    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0    1    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    3    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -2    1    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    0   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    1    2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    0    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.38                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8630    0.8668    1.4183   89.6094   89.7072   70.4928      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8652    0.8640    1.4177   89.7728   89.7172   70.6781      0.0000         0.6103    0.6095
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0041    0.0147    0.0277    0.8227    0.6789    0.7763      0.0000         0.0127    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6285    0.7181    0.7750)
 a2 = (   -0.1497   -1.1727    0.3169)
 a3 = (    0.5675    0.0440    0.4161)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6266    0.7140    0.7732) (    0.0085    0.0079    0.0058)
 a2 = (   -0.1512   -1.1745    0.3192) (    0.0150    0.0209    0.0088)
 a3 = (    0.5675    0.0420    0.4168) (    0.0141    0.0082    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   51.7801   53.4641   94.1826    0.5410    0.5525    0.6597
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            161            155
# Figure of merit at the beginning and the end of the refinement
        33.9376        38.2732
# Chi-squares at the beginning and the end of the refinement
    0.0249    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -2    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -1    2    1   -0.0248    0.0837   -0.0241    0.0824    0.0015    1
    4    1   -1    2   -0.1948   -0.5875   -0.1976   -0.5890    0.0032    1
    5    1   -1    0    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    1    2   -0.1031    0.1152   -0.1046    0.1173    0.0025    1
    7    2   -1    1    0.1215   -0.5969    0.1201   -0.5972    0.0014    1
    8    2   -1   -1    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -1    0    3   -0.1910    0.0480   -0.1940    0.0483    0.0030    1
   10    1    0   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    0    0    0.5349   -0.6111    0.5314   -0.6143    0.0047    1
   12   -1   -1    4   -0.1802   -0.0373   -0.1815   -0.0378    0.0015    1
   13    2    1   -3    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    1   -2    0.5288   -0.1490    0.5323   -0.1459    0.0047    1
   15    0   -1    3   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16    1    1   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    1   -1    0.7259   -0.0807    0.7260   -0.0804    0.0003    1
   18    3    1    0    1.0531   -0.5078    1.0655   -0.4953    0.0176    1
   19    1    2   -3    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    1    1   -1    0.4415    0.1636    0.4436    0.1639    0.0021    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -1    0.2951    0.3298    0.2970    0.3320    0.0029    1
   23    0    1    0    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -2    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    2    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -1    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    1    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    2   -1    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    2   -1   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    0    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    0    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1   -1    4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    2    1   -3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3    1   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0   -1    3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2    1   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    3    1    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    2   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    2   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0    1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.43                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8637    0.8684    1.4152   90.3409   90.0735  109.5869      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8652    0.8640    1.4177   90.2272   89.7172  109.3219      0.0000         0.6103    0.6095
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0041    0.0147    0.0277    0.8227    0.6789    0.7763      0.0000         0.0127    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6241   -0.7214   -0.7748)
 a2 = (   -0.1494   -1.1703    0.3194)
 a3 = (   -0.5679   -0.0466   -0.4180)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6266   -0.7140   -0.7732) (    0.0085    0.0079    0.0058)
 a2 = (   -0.1512   -1.1745    0.3192) (    0.0150    0.0209    0.0088)
 a3 = (   -0.5675   -0.0420   -0.4168) (    0.0141    0.0082    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -51.7801  126.5359  -85.8174    0.5410    0.5525    0.6597
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            151            155
# Figure of merit at the beginning and the end of the refinement
        33.1729        38.2732
# Chi-squares at the beginning and the end of the refinement
    0.0439    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7311   -0.0599   -0.7289   -0.0565    0.0041    1
    2   -1   -2   -1   -0.0138   -0.1772   -0.0133   -0.1793    0.0022    1
    3    1    2   -1   -0.0255    0.0859   -0.0241    0.0824    0.0038    1
    4   -1   -1   -2   -0.1951   -0.5857   -0.1976   -0.5890    0.0042    1
    5   -1   -1    0    0.0568   -0.2265    0.0566   -0.2258    0.0008    1
    6    1    1   -2   -0.1051    0.1174   -0.1046    0.1173    0.0005    1
    7   -2   -1   -1    0.1190   -0.5960    0.1201   -0.5972    0.0017    1
    8   -2   -1    1    0.1446   -0.2226    0.1441   -0.2219    0.0008    1
    9    1    0   -3   -0.1937    0.0484   -0.1940    0.0483    0.0003    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1   -1   -4   -0.1818   -0.0379   -0.1815   -0.0378    0.0003    1
   13   -2    1    3    0.1980   -0.0085    0.1981   -0.0091    0.0007    1
   14   -3    1    2    0.5295   -0.1510    0.5323   -0.1459    0.0058    1
   15    0   -1   -3   -0.3363   -0.2377   -0.3358   -0.2354    0.0024    1
   16   -1    1    2    0.1252    0.0355    0.1256    0.0356    0.0005    1
   17   -2    1    1    0.7286   -0.0837    0.7260   -0.0804    0.0043    1
   18   -3    1    0    1.0532   -0.5177    1.0655   -0.4953    0.0256    1
   19   -1    2    3    0.0419    0.0281    0.0407    0.0272    0.0015    1
   20   -1    1    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0   -1   -1   -0.0354   -0.0601   -0.0357   -0.0605    0.0005    1
   22   -1    2    1    0.2970    0.3319    0.2970    0.3320    0.0002    1
   23    0    1    0    0.0343    0.2685    0.0342    0.2676    0.0009    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    2   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1   -1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2   -1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -2   -1    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    0    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -1   -4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2    1    3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    1    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0   -1   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -2    1    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -3    1    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    2    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    1    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    2    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0    1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.48                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8696    0.8720    1.4016   89.1168   89.9279   70.2232      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8663    0.8664    1.4147   89.8610   89.8983   70.3430      0.0000         0.6123    0.6124
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0051    0.0191    0.0231    0.8408    1.0455    0.9405      0.0000         0.0110    0.0123
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1627    0.2895   -0.2396)
 a2 = (    0.7423    0.8299   -0.4960)
 a3 = (    0.0219   -0.3923   -0.5957)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.1659    0.2933   -0.2393) (    0.0035    0.0127    0.0076)
 a2 = (    0.7458    0.8362   -0.4966) (    0.0203    0.0208    0.0107)
 a3 = (    0.0274   -0.3800   -0.5954) (    0.0115    0.0100    0.0090)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -158.6688  147.5352    4.1141    0.7035    0.6030    0.7316
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            165
# Figure of merit at the beginning and the end of the refinement
         9.0967        37.7385
# Chi-squares at the beginning and the end of the refinement
    0.1130    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7263   -0.0654   -0.7289   -0.0565    0.0093    1
    2    1    2   -3   -0.0145   -0.1765   -0.0133   -0.1793    0.0031    1
    3   -1   -1    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0    1   -3   -0.1948   -0.5777   -0.1976   -0.5890    0.0117    1
    5    1    1   -2    0.0551   -0.2259    0.0566   -0.2258    0.0015    1
    6   -2   -1    1   -0.1047    0.1174   -0.1046    0.1173    0.0002    1
    7    1    1   -4    0.1118   -0.5915    0.1201   -0.5972    0.0101    1
    8    2    1   -3    0.1423   -0.2232    0.1441   -0.2219    0.0022    1
    9   -1    0    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1    0   -1    0.2258   -0.1299    0.2267   -0.1283    0.0018    1
   11    1    0   -3    0.5194   -0.6200    0.5314   -0.6143    0.0133    1
   12   -2    1   -1   -0.1819   -0.0384   -0.1815   -0.0378    0.0007    1
   13    2   -1   -1    0.1978   -0.0091    0.1981   -0.0091    0.0003    1
   14    2   -1   -3    0.5294   -0.1564    0.5323   -0.1459    0.0109    1
   15   -1    1   -2   -0.3334   -0.2373   -0.3358   -0.2354    0.0031    1
   16    1   -1    0    0.1245    0.0353    0.1256    0.0356    0.0011    1
   17    1   -1   -2    0.7313   -0.0916    0.7260   -0.0804    0.0125    1
   18    1   -1   -4    1.0456   -0.5398    1.0655   -0.4953    0.0488    0
   19    1   -2    1    0.0411    0.0276    0.0407    0.0272    0.0005    1
   20    1   -2   -1    0.4452    0.1631    0.4436    0.1639    0.0018    1
   21    0    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -2    1    0.0342    0.2672    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1    2   -3   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -1   -1    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0    1   -3   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1    1   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2   -1    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    1    1   -4    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    2    1   -3    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    0    0   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1    0   -1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1    0   -3    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -2    1   -1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    2   -1   -1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    2   -1   -3    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -1    1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1   -1    0    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1   -1   -2    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    1   -1   -4    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19    1   -2    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1   -2   -1    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    0    1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0   -1    0    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1   -2    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.49                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8506    0.8749    1.4176   90.4415   91.4576  108.4826      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8661    0.8660    1.4127   90.0352   89.9077  109.3015      0.0000         0.6131    0.6130
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0042    0.0248    0.0253    1.1762    1.1944    0.7989      0.0000         0.0111    0.0122
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5288   -0.4726   -1.0173)
 a2 = (    0.1818    0.7630   -0.9152)
 a3 = (    0.5943   -0.3365   -0.1779)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5422   -0.4215   -1.0124) (    0.0219    0.0222    0.0124)
 a2 = (    0.1762    0.7944   -0.9138) (    0.0278    0.0361    0.0156)
 a3 = (    0.5966   -0.3369   -0.1779) (    0.0105    0.0096    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -121.2138  104.6137   60.4690    1.0458    1.3912    0.5923
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0025    0.0024    0.0000

# Number of computed bands
            400            159
# Figure of merit at the beginning and the end of the refinement
         6.2462        37.6675
# Chi-squares at the beginning and the end of the refinement
    0.2008    0.0111
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7366   -0.0893   -0.7289   -0.0565    0.0336    0
    2   -1    1   -1   -0.0131   -0.1772   -0.0133   -0.1793    0.0022    1
    3    1   -2    3   -0.0253    0.0854   -0.0241    0.0824    0.0032    1
    4   -2    1   -1   -0.1821   -0.5771   -0.1976   -0.5890    0.0196    1
    5   -1    1   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1    3   -0.1071    0.1185   -0.1046    0.1173    0.0027    1
    7   -2    1   -3    0.1170   -0.5849    0.1201   -0.5972    0.0126    1
    8   -1    1   -4    0.1436   -0.2225    0.1441   -0.2219    0.0007    1
    9   -1    0    3   -0.1985    0.0461   -0.1940    0.0483    0.0050    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0   -3    0.5161   -0.6098    0.5314   -0.6143    0.0160    1
   12   -2    1    3   -0.1840   -0.0425   -0.1815   -0.0378    0.0053    1
   13    1   -1   -4    0.1971   -0.0070    0.1981   -0.0091    0.0023    1
   14    0   -1   -5    0.5275   -0.1538    0.5323   -0.1459    0.0092    1
   15   -2    1    1   -0.3292   -0.2463   -0.3358   -0.2354    0.0127    1
   16    1   -1   -2    0.1228    0.0364    0.1256    0.0356    0.0029    1
   17    0   -1   -3    0.7260   -0.0910    0.7260   -0.0804    0.0107    1
   18   -1   -1   -4    1.0253   -0.5330    1.0655   -0.4953    0.0551    0
   19    1   -1   -1    0.0394    0.0271    0.0407    0.0272    0.0014    1
   20    1   -2   -3    0.4429    0.1637    0.4436    0.1639    0.0007    1
   21   -1    1    0   -0.0357   -0.0621   -0.0357   -0.0605    0.0016    1
   22    1   -2   -1    0.2963    0.3312    0.2970    0.3320    0.0011    1
   23    1   -2    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7283   -0.0545   -0.7289   -0.0565    0.0021    1
    2   -1    1   -1   -0.0134   -0.1774   -0.0133   -0.1793    0.0020    1
    3    1   -2    3   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4   -2    1   -1   -0.1968   -0.5869   -0.1976   -0.5890    0.0022    1
    5   -1    1   -2    0.0573   -0.2266    0.0566   -0.2258    0.0011    1
    6    0   -1    3   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -2    1   -3    0.1198   -0.5976    0.1201   -0.5972    0.0005    1
    8   -1    1   -4    0.1450   -0.2224    0.1441   -0.2219    0.0010    1
    9   -1    0    3   -0.1925    0.0484   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2266   -0.1280    0.2267   -0.1283    0.0003    1
   11   -1    0   -3    0.5351   -0.6141    0.5314   -0.6143    0.0037    1
   12   -2    1    3   -0.1811   -0.0376   -0.1815   -0.0378    0.0004    1
   13    1   -1   -4    0.1976   -0.0087    0.1981   -0.0091    0.0007    1
   14    0   -1   -5    0.5293   -0.1493    0.5323   -0.1459    0.0045    1
   15   -2    1    1   -0.3367   -0.2364   -0.3358   -0.2354    0.0014    1
   16    1   -1   -2    0.1250    0.0350    0.1256    0.0356    0.0009    1
   17    0   -1   -3    0.7280   -0.0804    0.7260   -0.0804    0.0019    1
   18   -1   -1   -4    1.0596   -0.5113    1.0655   -0.4953    0.0171    1
   19    1   -1   -1    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    1   -2   -3    0.4418    0.1640    0.4436    0.1639    0.0018    1
   21   -1    1    0   -0.0351   -0.0605   -0.0357   -0.0605    0.0006    1
   22    1   -2   -1    0.2952    0.3305    0.2970    0.3320    0.0023    1
   23    1   -2    1    0.0344    0.2668    0.0342    0.2676    0.0008    1

###            No.51                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8646    0.8734    1.4020   90.0934   90.0044  109.1766      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8678    0.8640    1.4127   89.7806   90.0599  109.2457      0.0000         0.6143    0.6116
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0040    0.0177    0.0187    0.9550    0.9932    0.7475      0.0000         0.0081    0.0105
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5478    0.4290    1.0078)
 a2 = (   -0.1675   -0.7845    0.9088)
 a3 = (    0.6003   -0.3399   -0.1811)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5380    0.4200    1.0118) (    0.0162    0.0132    0.0086)
 a2 = (   -0.1808   -0.7965    0.9142) (    0.0215    0.0246    0.0118)
 a3 = (    0.5971   -0.3360   -0.1782) (    0.0080    0.0074    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   58.8840  104.4530   60.4458    0.6588    0.9968    0.5838
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            157            161
# Figure of merit at the beginning and the end of the refinement
        17.3496        37.5533
# Chi-squares at the beginning and the end of the refinement
    0.0994    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7157   -0.0555   -0.7289   -0.0565    0.0132    1
    2    1   -1   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -1    2    3   -0.0246    0.0809   -0.0241    0.0824    0.0016    1
    4    2   -1   -1   -0.1953   -0.5844   -0.1976   -0.5890    0.0051    1
    5    1   -1   -2    0.0586   -0.2286    0.0566   -0.2258    0.0034    1
    6    0    1    3   -0.1008    0.1113   -0.1046    0.1173    0.0071    1
    7    2   -1   -3    0.1204   -0.5955    0.1201   -0.5972    0.0017    1
    8    1   -1   -4    0.1467   -0.2239    0.1441   -0.2219    0.0032    1
    9    1    0    3   -0.1860    0.0468   -0.1940    0.0483    0.0082    1
   10    0    0   -1    0.2284   -0.1293    0.2267   -0.1283    0.0020    1
   11    1    0   -3    0.5298   -0.6124    0.5314   -0.6143    0.0025    1
   12    2   -1    3   -0.1766   -0.0359   -0.1815   -0.0378    0.0053    1
   13   -1    1   -4    0.2002   -0.0094    0.1981   -0.0091    0.0021    1
   14    0    1   -5    0.5284   -0.1526    0.5323   -0.1459    0.0077    1
   15    2   -1    1   -0.3337   -0.2333   -0.3358   -0.2354    0.0030    1
   16   -1    1   -2    0.1275    0.0355    0.1256    0.0356    0.0019    1
   17    0    1   -3    0.7273   -0.0869    0.7260   -0.0804    0.0066    1
   18    1    1   -4    1.0480   -0.5206    1.0655   -0.4953    0.0308    1
   19   -1    1   -1    0.0433    0.0288    0.0407    0.0272    0.0030    1
   20   -1    2   -3    0.4450    0.1622    0.4436    0.1639    0.0022    1
   21    1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    2   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    2    1    0.0320    0.2651    0.0342    0.2676    0.0033    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    2    3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    2   -1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1   -2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    1    3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    2   -1   -3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -1   -4    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    0   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    2   -1    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    1   -4    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0    1   -5    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    2   -1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0    1   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1   -4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    1   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    2   -3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    2   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    2    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.52                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8595    0.8647    1.4203   89.5743   89.2801   71.3392      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8640    0.8678    1.4127   90.0599   90.2194   70.7543      0.0000         0.6116    0.6143
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0039    0.0161    0.0226    0.9932    0.9550    0.7475      0.0000         0.0105    0.0081
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1777    0.8109   -0.9050)
 a2 = (    0.5322    0.4234    1.0138)
 a3 = (    0.5937   -0.3361   -0.1743)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1808    0.7965   -0.9142) (    0.0198    0.0124    0.0107)
 a2 = (    0.5380    0.4200    1.0118) (    0.0225    0.0183    0.0145)
 a3 = (    0.5971   -0.3360   -0.1782) (    0.0110    0.0064    0.0047)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -50.3616  104.4530   60.4458    0.8171    0.9968    0.5838
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            135            161
# Figure of merit at the beginning and the end of the refinement
        13.2783        37.5533
# Chi-squares at the beginning and the end of the refinement
    0.1844    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2    1    1   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -2   -1    3   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    2   -1   -0.1913   -0.5883   -0.1976   -0.5890    0.0064    1
    5    1    1   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0    3   -0.1042    0.1182   -0.1046    0.1173    0.0010    1
    7    1    2   -3    0.1199   -0.5930    0.1201   -0.5972    0.0042    1
    8    1    1   -4    0.1424   -0.2206    0.1441   -0.2219    0.0021    1
    9    0    1    3   -0.1994    0.0504   -0.1940    0.0483    0.0058    1
   10    0    0   -1    0.2224   -0.1259    0.2267   -0.1283    0.0050    1
   11    0    1   -3    0.5317   -0.6096    0.5314   -0.6143    0.0047    1
   12    1    2    3   -0.1896   -0.0407   -0.1815   -0.0378    0.0086    1
   13   -1   -1   -4    0.1905   -0.0068    0.1981   -0.0091    0.0079    1
   14   -1    0   -5    0.5246   -0.1450    0.5323   -0.1459    0.0077    1
   15    1    2    1   -0.3402   -0.2449   -0.3358   -0.2354    0.0105    1
   16   -1   -1   -2    0.1162    0.0344    0.1256    0.0356    0.0094    1
   17   -1    0   -3    0.7217   -0.0727    0.7260   -0.0804    0.0088    1
   18   -1    1   -4    1.0576   -0.5010    1.0655   -0.4953    0.0097    1
   19   -1   -1   -1    0.0341    0.0235    0.0407    0.0272    0.0076    1
   20   -2   -1   -3    0.4295    0.1669    0.4436    0.1639    0.0144    1
   21    1    1    0   -0.0381   -0.0662   -0.0357   -0.0605    0.0062    1
   22   -2   -1   -1    0.2810    0.3243    0.2970    0.3320    0.0177    1
   23   -2   -1    1    0.0317    0.2572    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -2   -1    3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    1   -2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0    3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    2   -3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    1   -4    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0    1    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    1   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    2    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -1   -4    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    0   -5    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    2    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    0   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    1   -4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -1   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2   -1   -3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -2   -1   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -2   -1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.53                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8653    0.8727    1.4015   90.9643   90.8611  109.0479      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8640    0.8678    1.4127   89.9401   90.2194  109.2457      0.0000         0.6116    0.6143
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0039    0.0161    0.0226    0.9932    0.9550    0.7475      0.0000         0.0105    0.0081
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2021   -0.7879    0.9132)
 a2 = (    0.5137    0.4265    1.0122)
 a3 = (   -0.6008    0.3401    0.1812)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1808   -0.7965    0.9142) (    0.0198    0.0124    0.0107)
 a2 = (    0.5380    0.4200    1.0118) (    0.0225    0.0183    0.0145)
 a3 = (   -0.5971    0.3360    0.1782) (    0.0110    0.0064    0.0047)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   50.3616   75.5470 -119.5542    0.8171    0.9968    0.5838
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            163            161
# Figure of merit at the beginning and the end of the refinement
        13.6745        37.5533
# Chi-squares at the beginning and the end of the refinement
    0.1095    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2   -1    1    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    2   -1   -3   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    2    1   -0.1881   -0.5927   -0.1976   -0.5890    0.0102    1
    5   -1    1    2    0.0586   -0.2286    0.0566   -0.2258    0.0034    1
    6    1    0   -3   -0.1014    0.1146   -0.1046    0.1173    0.0042    1
    7   -1    2    3    0.1280   -0.5943    0.1201   -0.5972    0.0083    1
    8   -1    1    4    0.1467   -0.2239    0.1441   -0.2219    0.0032    1
    9    0    1   -3   -0.1898    0.0487   -0.1940    0.0483    0.0042    1
   10    0    0    1    0.2284   -0.1293    0.2267   -0.1283    0.0020    1
   11    0    1    3    0.5341   -0.5996    0.5314   -0.6143    0.0149    1
   12   -1    2   -3   -0.1797   -0.0368   -0.1815   -0.0378    0.0021    1
   13    1   -1    4    0.2002   -0.0094    0.1981   -0.0091    0.0021    1
   14    1    0    5    0.5249   -0.1494    0.5323   -0.1459    0.0082    1
   15   -1    2   -1   -0.3376   -0.2399   -0.3358   -0.2354    0.0049    1
   16    1   -1    2    0.1275    0.0355    0.1256    0.0356    0.0019    1
   17    1    0    3    0.7171   -0.0832    0.7260   -0.0804    0.0094    1
   18    1    1    4    1.0316   -0.4928    1.0655   -0.4953    0.0340    1
   19    1   -1    1    0.0433    0.0288    0.0407    0.0272    0.0030    1
   20    2   -1    3    0.4416    0.1594    0.4436    0.1639    0.0049    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1    1    0.2982    0.3264    0.2970    0.3320    0.0058    1
   23    2   -1   -1    0.0359    0.2653    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    2   -1   -3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    2    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1    2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    0   -3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    2    3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1    4    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0    1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    1    3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    2   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -1    4    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    0    5    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    2   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    0    3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1    4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -1    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2   -1    3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    2   -1    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    2   -1   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.54                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8645    0.8681    1.4127   90.1410   90.2151  109.4097      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8678    0.8640    1.4127   90.2194   89.9401  109.2457      0.0000         0.6143    0.6116
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0040    0.0177    0.0187    0.9550    0.9932    0.7475      0.0000         0.0081    0.0105
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5389   -0.4275   -1.0153)
 a2 = (    0.1775    0.7878   -0.9162)
 a3 = (    0.5961   -0.3375   -0.1784)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5380   -0.4200   -1.0118) (    0.0162    0.0132    0.0086)
 a2 = (    0.1808    0.7965   -0.9142) (    0.0215    0.0246    0.0118)
 a3 = (    0.5971   -0.3360   -0.1782) (    0.0080    0.0074    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -121.1160  104.4530   60.4458    0.6588    0.9968    0.5838
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            159            161
# Figure of merit at the beginning and the end of the refinement
        34.1334        37.5533
# Chi-squares at the beginning and the end of the refinement
    0.0374    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7327   -0.0581   -0.7289   -0.0565    0.0041    1
    2   -1    1   -1   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3    1   -2    3   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4   -2    1   -1   -0.1956   -0.5877   -0.1976   -0.5890    0.0023    1
    5   -1    1   -2    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6    0   -1    3   -0.1051    0.1175   -0.1046    0.1173    0.0005    1
    7   -2    1   -3    0.1199   -0.5972    0.1201   -0.5972    0.0002    1
    8   -1    1   -4    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9   -1    0    3   -0.1940    0.0488   -0.1940    0.0483    0.0004    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0   -3    0.5331   -0.6144    0.5314   -0.6143    0.0016    1
   12   -2    1    3   -0.1824   -0.0378   -0.1815   -0.0378    0.0009    1
   13    1   -1   -4    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14    0   -1   -5    0.5297   -0.1509    0.5323   -0.1459    0.0056    1
   15   -2    1    1   -0.3377   -0.2381   -0.3358   -0.2354    0.0033    1
   16    1   -1   -2    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17    0   -1   -3    0.7289   -0.0833    0.7260   -0.0804    0.0041    1
   18   -1   -1   -4    1.0551   -0.5162    1.0655   -0.4953    0.0233    1
   19    1   -1   -1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20    1   -2   -3    0.4437    0.1639    0.4436    0.1639    0.0001    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -2   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -2    1    0.0342    0.2685    0.0342    0.2676    0.0008    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -2    3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2    1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1   -2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1    3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2    1   -3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1   -4    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    0    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -2    1    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -1   -4    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -1   -5    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2    1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0   -1   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -1   -4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -1   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -2   -3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -2   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -2    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.55                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8640    0.8707    1.4106   90.2092   90.1714  109.5457      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8640    0.8671    1.4174   90.2225   89.9914  109.6556      0.0000         0.6096    0.6118
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0049    0.0164    0.0220    0.9168    0.8022    0.9035      0.0000         0.0110    0.0107
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7480    0.8363   -0.4998)
 a2 = (    1.1581   -0.2930    0.2410)
 a3 = (    0.0317   -0.3806   -0.5972)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7483    0.8386   -0.4974) (    0.0109    0.0106    0.0078)
 a2 = (    1.1646   -0.2940    0.2387) (    0.0236    0.0118    0.0086)
 a3 = (    0.0295   -0.3780   -0.5950) (    0.0093    0.0095    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -49.0227  147.5869    4.0714    0.7690    0.5935    0.7107
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            159            161
# Figure of merit at the beginning and the end of the refinement
        28.2297        37.5533
# Chi-squares at the beginning and the end of the refinement
    0.0375    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7397   -0.0576   -0.7289   -0.0565    0.0108    1
    2    2   -1   -3   -0.0138   -0.1763   -0.0133   -0.1793    0.0031    1
    3   -1    1    1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    1    0   -3   -0.1944   -0.5889   -0.1976   -0.5890    0.0032    1
    5    1   -1   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    2    1   -0.1059    0.1194   -0.1046    0.1173    0.0024    1
    7    1   -1   -4    0.1209   -0.5970    0.1201   -0.5972    0.0008    1
    8    1   -2   -3    0.1442   -0.2223    0.1441   -0.2219    0.0004    1
    9    0    1    0   -0.1956    0.0495   -0.1940    0.0483    0.0020    1
   10    0   -1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -1   -3    0.5354   -0.6130    0.5314   -0.6143    0.0042    1
   12    1    2   -1   -0.1832   -0.0381   -0.1815   -0.0378    0.0017    1
   13   -1   -2   -1    0.1983   -0.0083    0.1981   -0.0091    0.0008    1
   14   -1   -2   -3    0.5305   -0.1497    0.5323   -0.1459    0.0042    1
   15    1    1   -2   -0.3383   -0.2395   -0.3358   -0.2354    0.0048    1
   16   -1   -1    0    0.1255    0.0358    0.1256    0.0356    0.0002    1
   17   -1   -1   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18   -1   -1   -4    1.0571   -0.5092    1.0655   -0.4953    0.0163    1
   19   -2   -1    1    0.0424    0.0285    0.0407    0.0272    0.0021    1
   20   -2   -1   -1    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    1    0   -1   -0.0350   -0.0595   -0.0357   -0.0605    0.0013    1
   22   -1    0    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -2    1    1    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    2   -1   -3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    0   -3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1   -2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -1   -4    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -2   -3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0    1    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -1   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -2   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -2   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -1   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -1   -4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -2   -1    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2   -1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    0   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    0    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -2    1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.56                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8653    0.8682    1.4146   90.2195   90.7283  109.7733      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8671    0.8640    1.4174   90.0086   89.7775  109.6556      0.0000         0.6118    0.6096
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0049    0.0180    0.0229    0.8022    0.9168    0.9035      0.0000         0.0107    0.0110
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.1687   -0.2910    0.2408)
 a2 = (    0.7454    0.8333   -0.4980)
 a3 = (   -0.0170    0.3803    0.5958)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.1646   -0.2940    0.2387) (    0.0035    0.0125    0.0074)
 a2 = (    0.7483    0.8386   -0.4974) (    0.0183    0.0200    0.0104)
 a3 = (   -0.0295    0.3780    0.5950) (    0.0096    0.0093    0.0090)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  158.6785   32.4131 -175.9286    0.6899    0.5935    0.7107
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            133            161
# Figure of merit at the beginning and the end of the refinement
        19.1043        37.5533
# Chi-squares at the beginning and the end of the refinement
    0.1194    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7221   -0.0560   -0.7289   -0.0565    0.0068    1
    2   -1    2    3   -0.0154   -0.1763   -0.0133   -0.1793    0.0037    1
    3    1   -1   -1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    0    1    3   -0.2044   -0.5812   -0.1976   -0.5890    0.0103    1
    5   -1    1    2    0.0550   -0.2268    0.0566   -0.2258    0.0018    1
    6    2   -1   -1   -0.1063    0.1186   -0.1046    0.1173    0.0021    1
    7   -1    1    4    0.1116   -0.6008    0.1201   -0.5972    0.0093    1
    8   -2    1    3    0.1437   -0.2236    0.1441   -0.2219    0.0017    1
    9    1    0    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    0    3    0.5332   -0.6259    0.5314   -0.6143    0.0117    1
   12    2    1    1   -0.1813   -0.0374   -0.1815   -0.0378    0.0005    1
   13   -2   -1    1    0.1971   -0.0082    0.1981   -0.0091    0.0013    1
   14   -2   -1    3    0.5327   -0.1512    0.5323   -0.1459    0.0052    1
   15    1    1    2   -0.3357   -0.2327   -0.3358   -0.2354    0.0027    1
   16   -1   -1    0    0.1244    0.0352    0.1256    0.0356    0.0013    1
   17   -1   -1    2    0.7345   -0.0823    0.7260   -0.0804    0.0087    1
   18   -1   -1    4    1.0709   -0.5288    1.0655   -0.4953    0.0340    1
   19   -1   -2   -1    0.0419    0.0278    0.0407    0.0272    0.0013    1
   20   -1   -2    1    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    0    1    1   -0.0355   -0.0592   -0.0357   -0.0605    0.0013    1
   22    0   -1    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -2   -1    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    2    3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -1   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1    3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1    2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    2   -1   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    1    4    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -2    1    3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    0    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    2    1    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -2   -1    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -1    3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -1    2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -1    4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -2   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0   -1    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -2   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.57                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8536    0.8684    1.4255   90.0469   91.0277  108.8062      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8640    0.8671    1.4174   89.7775   90.0086  109.6556      0.0000         0.6096    0.6118
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0049    0.0164    0.0220    0.9168    0.8022    0.9035      0.0000         0.0110    0.0107
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7382   -0.8685    0.4827)
 a2 = (   -1.1563    0.2863   -0.2472)
 a3 = (    0.0292   -0.3737   -0.5932)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7483   -0.8386    0.4974) (    0.0109    0.0106    0.0078)
 a2 = (   -1.1646    0.2940   -0.2387) (    0.0236    0.0118    0.0086)
 a3 = (    0.0295   -0.3780   -0.5950) (    0.0093    0.0095    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  130.9773  147.5869    4.0714    0.7690    0.5935    0.7107
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            161
# Figure of merit at the beginning and the end of the refinement
         6.0008        37.5533
# Chi-squares at the beginning and the end of the refinement
    0.3322    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2   -2    1   -3   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1   -1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    0   -3   -0.1926   -0.5888   -0.1976   -0.5890    0.0050    1
    5   -1    1   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -2    1   -0.1050    0.1188   -0.1046    0.1173    0.0016    1
    7   -1    1   -4    0.1202   -0.5958    0.1201   -0.5972    0.0014    1
    8   -1    2   -3    0.1430   -0.2204    0.1441   -0.2219    0.0019    1
    9    0   -1    0   -0.2015    0.0499   -0.1940    0.0483    0.0076    1
   10    0    1   -1    0.2228   -0.1240    0.2267   -0.1283    0.0058    1
   11    0    1   -3    0.5403   -0.6113    0.5314   -0.6143    0.0093    1
   12   -1   -2   -1   -0.1908   -0.0423   -0.1815   -0.0378    0.0103    1
   13    1    2   -1    0.1886   -0.0048    0.1981   -0.0091    0.0104    1
   14    1    2   -3    0.5269   -0.1385    0.5323   -0.1459    0.0092    1
   15   -1   -1   -2   -0.3397   -0.2460   -0.3358   -0.2354    0.0113    1
   16    1    1    0    0.1135    0.0349    0.1256    0.0356    0.0121    1
   17    1    1   -2    0.7229   -0.0611    0.7260   -0.0804    0.0195    1
   18    1    1   -4    1.0755   -0.4879    1.0655   -0.4953    0.0124    1
   19    2    1    1    0.0322    0.0226    0.0407    0.0272    0.0098    1
   20    2    1   -1    0.4233    0.1713    0.4436    0.1639    0.0216    1
   21   -1    0   -1   -0.0383   -0.0671   -0.0357   -0.0605    0.0071    1
   22    1    0    0    0.2742    0.3227    0.2970    0.3320    0.0246    0
   23    2   -1    1    0.0309    0.2547    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -2    1   -3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    0   -3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1   -2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    1   -4    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    2   -3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0   -1    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    1   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1   -2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    2   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    1   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1   -4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    2    1    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    0   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    0    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    2   -1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.63                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8621    0.8656    1.4203   90.1737   90.0877  109.3533      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8652    0.8671    1.4121   90.0160   90.2953  109.2687      0.0000         0.6127    0.6141
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0035    0.0167    0.0211    1.1167    0.7706    0.6614      0.0000         0.0095    0.0103
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4198   -0.1496   -1.1458)
 a2 = (   -0.7749    0.5268   -0.7881)
 a3 = (    0.3566    0.6051    0.0496)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4185   -0.1477   -1.1412) (    0.0154    0.0150    0.0059)
 a2 = (   -0.7757    0.5242   -0.7849) (    0.0266    0.0196    0.0098)
 a3 = (    0.3594    0.6083    0.0488) (    0.0074    0.0103    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -110.8385   85.7438  149.5239    0.7460    0.8984    0.6351
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            163            163
# Figure of merit at the beginning and the end of the refinement
        27.3371        37.3222
# Chi-squares at the beginning and the end of the refinement
    0.0417    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7368   -0.0510   -0.7289   -0.0565    0.0096    1
    2   -1    1    4   -0.0134   -0.1786   -0.0133   -0.1793    0.0007    1
    3    1   -2   -3   -0.0255    0.0857   -0.0241    0.0824    0.0036    1
    4   -1    0    3   -0.1965   -0.5939   -0.1976   -0.5890    0.0051    1
    5   -1    1    2    0.0580   -0.2274    0.0566   -0.2258    0.0022    1
    6    1   -2   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -2    1    3    0.1238   -0.6001    0.1201   -0.5972    0.0047    1
    8   -1    1    1    0.1456   -0.2226    0.1441   -0.2219    0.0016    1
    9    1   -2    1   -0.1936    0.0498   -0.1940    0.0483    0.0015    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1    1    0.5381   -0.6122    0.5314   -0.6143    0.0070    1
   12    1   -2    3   -0.1832   -0.0369   -0.1815   -0.0378    0.0019    1
   13   -1    1   -1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -3    2   -1    0.5296   -0.1501    0.5323   -0.1459    0.0050    1
   15    0   -1    3   -0.3414   -0.2384   -0.3358   -0.2354    0.0064    1
   16   -1    1   -2    0.1256    0.0351    0.1256    0.0356    0.0005    1
   17   -2    1   -1    0.7284   -0.0817    0.7260   -0.0804    0.0027    1
   18   -3    1    0    1.0587   -0.5077    1.0655   -0.4953    0.0142    1
   19   -1    1   -4    0.0421    0.0280    0.0407    0.0272    0.0015    1
   20   -2    1   -3    0.4443    0.1637    0.4436    0.1639    0.0007    1
   21    0    0    1   -0.0359   -0.0609   -0.0357   -0.0605    0.0004    1
   22   -1    0   -3    0.2974    0.3325    0.2970    0.3320    0.0007    1
   23    0   -1   -3    0.0338    0.2687    0.0342    0.2676    0.0011    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    1    4   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -2   -3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    0    3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1    2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -2    1    3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -2    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    1    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -2    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    1   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0   -1    3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -2    1   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -3    1    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    1   -4    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    1   -3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    0   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0   -1   -3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.64                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8651    0.8673    1.4139   90.2408   90.2638  109.4984      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8652    0.8671    1.4121   89.9840   89.7047  109.2687      0.0000         0.6127    0.6141
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0035    0.0167    0.0211    1.1167    0.7706    0.6614      0.0000         0.0095    0.0103
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4094    0.1599    1.1449)
 a2 = (    0.7811   -0.5141    0.7885)
 a3 = (    0.3583    0.6079    0.0480)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4185    0.1477    1.1412) (    0.0154    0.0150    0.0059)
 a2 = (    0.7757   -0.5242    0.7849) (    0.0266    0.0196    0.0098)
 a3 = (    0.3594    0.6083    0.0488) (    0.0074    0.0103    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   69.1615   85.7438  149.5239    0.7460    0.8984    0.6351
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            151            163
# Figure of merit at the beginning and the end of the refinement
        23.0619        37.3222
# Chi-squares at the beginning and the end of the refinement
    0.0693    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7292   -0.0601   -0.7289   -0.0565    0.0036    1
    2    1   -1    4   -0.0137   -0.1756   -0.0133   -0.1793    0.0038    1
    3   -1    2   -3   -0.0262    0.0878   -0.0241    0.0824    0.0058    1
    4    1    0    3   -0.1960   -0.5841   -0.1976   -0.5890    0.0052    1
    5    1   -1    2    0.0565   -0.2253    0.0566   -0.2258    0.0005    1
    6   -1    2   -1   -0.1063    0.1183   -0.1046    0.1173    0.0020    1
    7    2   -1    3    0.1177   -0.5959    0.1201   -0.5972    0.0027    1
    8    1   -1    1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -1    2    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1    1    0.5313   -0.6170    0.5314   -0.6143    0.0027    1
   12   -1    2    3   -0.1812   -0.0378   -0.1815   -0.0378    0.0003    1
   13    1   -1   -1    0.1987   -0.0085    0.1981   -0.0091    0.0009    1
   14    3   -2   -1    0.5313   -0.1519    0.5323   -0.1459    0.0060    1
   15    0    1    3   -0.3355   -0.2367   -0.3358   -0.2354    0.0013    1
   16    1   -1   -2    0.1263    0.0359    0.1256    0.0356    0.0007    1
   17    2   -1   -1    0.7324   -0.0845    0.7260   -0.0804    0.0076    1
   18    3   -1    0    1.0581   -0.5234    1.0655   -0.4953    0.0291    1
   19    1   -1   -4    0.0432    0.0289    0.0407    0.0272    0.0030    1
   20    2   -1   -3    0.4463    0.1651    0.4436    0.1639    0.0030    1
   21    0    0    1   -0.0346   -0.0586   -0.0357   -0.0605    0.0022    1
   22    1    0   -3    0.2988    0.3349    0.2970    0.3320    0.0034    1
   23    0    1   -3    0.0341    0.2713    0.0342    0.2676    0.0037    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -1    4   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    2   -3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    0    3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -1    2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    2   -1    3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -1    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    2    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -1    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    2    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -1   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3   -2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0    1    3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -1   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2   -1   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    3   -1    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -1   -4    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    2   -1   -3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    0   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0    1   -3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.69                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8680    0.8683    1.4049   90.2503   90.9510  109.1737      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8671    0.8652    1.4121   90.2953   90.0160  109.2687      0.0000         0.6141    0.6127
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0035    0.0179    0.0241    0.7706    1.1167    0.6614      0.0000         0.0103    0.0095
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7660   -0.5401    0.7809)
 a2 = (   -0.4193    0.1429    1.1360)
 a3 = (   -0.3607   -0.6119   -0.0482)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7757   -0.5242    0.7849) (    0.0146    0.0170    0.0104)
 a2 = (   -0.4185    0.1477    1.1412) (    0.0224    0.0161    0.0177)
 a3 = (   -0.3594   -0.6083   -0.0488) (    0.0084    0.0112    0.0041)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   40.1076   94.2562  -30.4761    0.6486    0.8984    0.6351
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            147            163
# Figure of merit at the beginning and the end of the refinement
        21.7187        37.3222
# Chi-squares at the beginning and the end of the refinement
    0.0716    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7329   -0.0467   -0.7289   -0.0565    0.0106    1
    2   -1    1   -4   -0.0143   -0.1739   -0.0133   -0.1793    0.0055    1
    3    2   -1    3   -0.0242    0.0850   -0.0241    0.0824    0.0026    1
    4    0    1   -3   -0.1949   -0.5820   -0.1976   -0.5890    0.0075    1
    5   -1    1   -2    0.0544   -0.2236    0.0566   -0.2258    0.0031    1
    6    2   -1    1   -0.1018    0.1175   -0.1046    0.1173    0.0028    1
    7   -1    2   -3    0.1162   -0.5918    0.1201   -0.5972    0.0066    1
    8   -1    1   -1    0.1411   -0.2216    0.1441   -0.2219    0.0030    1
    9    2   -1   -1   -0.1916    0.0507   -0.1940    0.0483    0.0034    1
   10   -1    1    0    0.2250   -0.1296    0.2267   -0.1283    0.0022    1
   11   -1    2   -1    0.5298   -0.6124    0.5314   -0.6143    0.0025    1
   12    2   -1   -3   -0.1807   -0.0365   -0.1815   -0.0378    0.0016    1
   13   -1    1    1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14   -2    3    1    0.5279   -0.1503    0.5323   -0.1459    0.0062    1
   15    1    0   -3   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    1    2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    2    1    0.7256   -0.0790    0.7260   -0.0804    0.0014    1
   18   -1    3    0    1.0561   -0.5055    1.0655   -0.4953    0.0139    1
   19   -1    1    4    0.0426    0.0286    0.0407    0.0272    0.0023    1
   20   -1    2    3    0.4392    0.1651    0.4436    0.1639    0.0046    1
   21    0    0   -1   -0.0345   -0.0585   -0.0357   -0.0605    0.0024    1
   22    0    1    3    0.2907    0.3278    0.2970    0.3320    0.0076    1
   23    1    0    3    0.0350    0.2631    0.0342    0.2676    0.0046    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    1   -4   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    2   -1    3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1   -3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    1   -2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    2   -1    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    2   -3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    2   -1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    2   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    2   -1   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    1    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    3    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    0   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    2    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    3    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    1    4    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    2    3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    0   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0    1    3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    0    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.73                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9906    1.0048    1.0048   90.0261   90.9941   90.1692      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0022    0.9997    0.9981   90.0151   90.0306   90.0669      0.0000         1.0041    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0148    0.0134    0.8352    1.4643    1.1332      0.0000         0.0135    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2015    0.1801   -0.9728)
 a2 = (    0.2355   -0.9402   -0.2259)
 a3 = (   -0.9495   -0.2693    0.1288)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1827    0.1848   -0.9633) (    0.0213    0.0169    0.0047)
 a2 = (    0.2374   -0.9448   -0.2274) (    0.0096    0.0145    0.0065)
 a3 = (   -0.9558   -0.2714    0.1286) (    0.0134    0.0088    0.0063)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.1864   82.5911  -74.1541    0.9480    1.2120    0.6689
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            171
# Figure of merit at the beginning and the end of the refinement
         7.7835        37.0705
# Chi-squares at the beginning and the end of the refinement
    0.1132    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    0   -3   -1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -1    3    0   -0.0273    0.0901   -0.0241    0.0824    0.0083    1
    4   -1   -2   -1   -0.2029   -0.5878   -0.1976   -0.5890    0.0054    1
    5    0   -1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1    2   -1   -0.1089    0.1203   -0.1046    0.1173    0.0053    1
    7   -1   -3    0    0.1153   -0.6030    0.1201   -0.5972    0.0076    1
    8    0   -3    1    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -1    1   -2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2    1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1    0   -3   -0.1844   -0.0380   -0.1815   -0.0378    0.0029    1
   13    0   -1    3    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14   -1   -2    3    0.5369   -0.1536    0.5323   -0.1459    0.0090    1
   15   -1   -1   -2   -0.3398   -0.2366   -0.3358   -0.2354    0.0042    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    2    0.7437   -0.0852    0.7260   -0.0804    0.0183    1
   18   -1   -1    1    1.0807   -0.5393    1.0655   -0.4953    0.0466    0
   19    0    1    3    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1    0    3    0.4507    0.1682    0.4436    0.1639    0.0084    1
   21    0   -1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    1    2    0.3004    0.3408    0.2970    0.3320    0.0095    1
   23   -1    2    1    0.0327    0.2751    0.0342    0.2676    0.0076    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    0   -3   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -1    3    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -2   -1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    0   -1    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    2   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1   -3    0    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    0   -3    1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    1   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    0   -1    1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11   -1   -2    1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1    0   -3   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    0   -1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -1   -2    3    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -1   -1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0    0    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17   -1   -1    2    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18   -1   -1    1    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19    0    1    3    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -1    0    3    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    0   -1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    1    2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1    2    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.74                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9855    1.0013    1.0141   91.9005   90.4410   90.8349      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9997    0.9981    1.0022   89.9694   90.0669   89.9849      0.0000         0.9974    0.9959
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0150    0.0148    1.4643    1.1332    0.8352      0.0000         0.0147    0.0134
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2550    0.9544    0.2323)
 a2 = (   -0.9533   -0.2704    0.1294)
 a3 = (    0.1480   -0.1850    0.9578)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2374    0.9448    0.2274) (    0.0094    0.0028    0.0056)
 a2 = (   -0.9558   -0.2714    0.1286) (    0.0152    0.0085    0.0062)
 a3 = (    0.1827   -0.1848    0.9633) (    0.0223    0.0169    0.0140)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   60.5360   15.1361   44.4444    1.4247    0.3195    1.3884
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            171
# Figure of merit at the beginning and the end of the refinement
         5.4027        37.0705
# Chi-squares at the beginning and the end of the refinement
    0.3031    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2    3   -1    0   -0.0108   -0.1805   -0.0133   -0.1793    0.0027    1
    3   -3    0    1   -0.0235    0.0785   -0.0241    0.0824    0.0039    1
    4    2   -1    1   -0.1767   -0.5960   -0.1976   -0.5890    0.0220    1
    5    1    0    0    0.0607   -0.2272    0.0566   -0.2258    0.0044    1
    6   -2   -1    1   -0.0990    0.1120   -0.1046    0.1173    0.0077    1
    7    3    0    1    0.1351   -0.5867    0.1201   -0.5972    0.0183    1
    8    3    1    0    0.1468   -0.2215    0.1441   -0.2219    0.0027    1
    9   -1   -2    1   -0.1894    0.0491   -0.1940    0.0483    0.0047    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    1    1    0.5312   -0.5870    0.5314   -0.6143    0.0272    1
   12    0   -3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    0    0.1988   -0.0091    0.1981   -0.0091    0.0006    1
   14    2    3    1    0.5202   -0.1474    0.5323   -0.1459    0.0122    1
   15    1   -2    1   -0.3383   -0.2463   -0.3358   -0.2354    0.0112    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    2    1    0.7104   -0.0807    0.7260   -0.0804    0.0156    1
   18    1    1    1    1.0188   -0.4795    1.0655   -0.4953    0.0492    0
   19   -1    3    0    0.0410    0.0278    0.0407    0.0272    0.0006    1
   20    0    3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21    1   -1    0   -0.0362   -0.0635   -0.0357   -0.0605    0.0030    1
   22   -1    2    1    0.2911    0.3253    0.2970    0.3320    0.0090    1
   23   -2    1    1    0.0324    0.2592    0.0342    0.2676    0.0086    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    3   -1    0   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -3    0    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    2   -1    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2   -1    1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    3    0    1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    3    1    0    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1   -2    1   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1    1    0    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    2    1    1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    0   -3    1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    3    0    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    2    3    1    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    1   -2    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0    1    0    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1    2    1    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    1    1    1    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19   -1    3    0    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    0    3    1    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    1   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1    2    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -2    1    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.75                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9991    0.9992    1.0017   89.9283   89.9127   89.9708      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9972    1.0002    1.0027   90.0927   89.7126   89.9755      0.0000         0.9946    0.9975
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0147    0.0123    1.0655    1.2695    0.8153      0.0000         0.0122    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9548   -0.2708    0.1296)
 a2 = (   -0.2368    0.9455    0.2272)
 a3 = (   -0.1816    0.1848   -0.9640)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9564   -0.2723    0.1293) (    0.0025    0.0083    0.0058)
 a2 = (   -0.2377    0.9443    0.2270) (    0.0096    0.0146    0.0061)
 a3 = (   -0.1786    0.1883   -0.9630) (    0.0187    0.0160    0.0117)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.5961  164.8611 -135.3728    1.2732    0.3194    1.3433
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            169            167
# Figure of merit at the beginning and the end of the refinement
        36.0958        36.8725
# Chi-squares at the beginning and the end of the refinement
    0.0288    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7301   -0.0553   -0.7289   -0.0565    0.0017    1
    2   -1    3    0   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3    0   -3   -1   -0.0254    0.0860   -0.0241    0.0824    0.0038    1
    4   -1    2   -1   -0.1965   -0.5860   -0.1976   -0.5890    0.0032    1
    5    0    1    0    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6   -1   -2   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    0    3   -1    0.1190   -0.5968    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1444   -0.2224    0.1441   -0.2219    0.0005    1
    9   -2   -1   -1   -0.1929    0.0488   -0.1940    0.0483    0.0013    1
   10    1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2   -1    0.5339   -0.6146    0.5314   -0.6143    0.0025    1
   12   -3    0   -1   -0.1812   -0.0373   -0.1815   -0.0378    0.0006    1
   13    3    1    0    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    3    2   -1    0.5300   -0.1501    0.5323   -0.1459    0.0047    1
   15   -2    1   -1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    1   -1    0.7291   -0.0813    0.7260   -0.0804    0.0032    1
   18    1    1   -1    1.0586   -0.5134    1.0655   -0.4953    0.0194    1
   19    3   -1    0    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20    3    0   -1    0.4430    0.1647    0.4436    0.1639    0.0010    1
   21   -1    1    0   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    2   -1   -1    0.2959    0.3318    0.2970    0.3320    0.0011    1
   23    1   -2   -1    0.0342    0.2681    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    3    0   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -3   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0    1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1   -2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    0    3   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    3    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -2   -1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    2   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -3    0   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3    1    0    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3    2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2    1   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    0    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2    1   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    3   -1    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    3    0   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    2   -1   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -2   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.76                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9976    0.9990    1.0034   90.0410   90.1487   90.0532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0002    0.9972    1.0027   89.7126   89.9073   90.0245      0.0000         0.9975    0.9946
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0147    0.0141    1.2695    1.0655    0.8153      0.0000         0.0140    0.0122
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2372   -0.9470   -0.2272)
 a2 = (   -0.9551   -0.2709    0.1279)
 a3 = (   -0.1815    0.1828   -0.9628)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2377   -0.9443   -0.2270) (    0.0093    0.0028    0.0056)
 a2 = (   -0.9564   -0.2723    0.1293) (    0.0150    0.0082    0.0059)
 a3 = (   -0.1786    0.1883   -0.9630) (    0.0192    0.0151    0.0138)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.3789  164.8611 -135.3728    1.3920    0.3194    1.3433
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            159            167
# Figure of merit at the beginning and the end of the refinement
        31.8190        36.8725
# Chi-squares at the beginning and the end of the refinement
    0.0338    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2   -3   -1    0   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    3    0   -1   -0.0252    0.0855   -0.0241    0.0824    0.0033    1
    4   -2   -1   -1   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    2   -1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    0   -1    0.1186   -0.5950    0.1201   -0.5972    0.0026    1
    8   -3    1    0    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1   -2   -1   -0.1936    0.0489   -0.1940    0.0483    0.0007    1
   10   -1    1    0    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11   -2    1   -1    0.5309   -0.6127    0.5314   -0.6143    0.0016    1
   12    0   -3   -1   -0.1823   -0.0377   -0.1815   -0.0378    0.0007    1
   13   -1    3    0    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14   -2    3   -1    0.5275   -0.1501    0.5323   -0.1459    0.0063    1
   15   -1   -2   -1   -0.3367   -0.2371   -0.3358   -0.2354    0.0020    1
   16    0    1    0    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17   -1    2   -1    0.7261   -0.0822    0.7260   -0.0804    0.0018    1
   18   -1    1   -1    1.0530   -0.5139    1.0655   -0.4953    0.0225    1
   19    1    3    0    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    0    3   -1    0.4410    0.1636    0.4436    0.1639    0.0026    1
   21   -1   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    2   -1    0.2946    0.3302    0.2970    0.3320    0.0030    1
   23    2    1   -1    0.0340    0.2666    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -3   -1    0   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    3    0   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2   -1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    0    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    2   -1   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    0   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -2   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    1   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0   -3   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3    0    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    3   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -2   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    1    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    2   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    1   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    3    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    3   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    2   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    2    1   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.78                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9973    1.0007    1.0021   89.9453   89.5045   89.8382      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0027    1.0002    0.9972   89.9755   89.7126   90.0927      0.0000         1.0055    1.0030
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0140    0.0122    0.8153    1.2695    1.0655      0.0000         0.0123    0.0148
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1736   -0.1863    0.9699)
 a2 = (    0.2365   -0.9441   -0.2265)
 a3 = (    0.9522    0.2701   -0.1275)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1786   -0.1883    0.9630) (    0.0184    0.0153    0.0043)
 a2 = (    0.2377   -0.9443   -0.2270) (    0.0093    0.0140    0.0064)
 a3 = (    0.9564    0.2723   -0.1293) (    0.0122    0.0086    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  103.3195   97.1368  105.8014    0.8833    1.0197    0.6634
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            163            167
# Figure of merit at the beginning and the end of the refinement
        22.0792        36.8725
# Chi-squares at the beginning and the end of the refinement
    0.0558    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7441   -0.0554   -0.7289   -0.0565    0.0153    1
    2    0   -3    1   -0.0138   -0.1769   -0.0133   -0.1793    0.0025    1
    3    1    3    0   -0.0259    0.0886   -0.0241    0.0824    0.0064    1
    4    1   -2    1   -0.1960   -0.5920   -0.1976   -0.5890    0.0035    1
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2    1   -0.1071    0.1209   -0.1046    0.1173    0.0044    1
    7    1   -3    0    0.1213   -0.5988    0.1201   -0.5972    0.0020    1
    8    0   -3   -1    0.1438   -0.2218    0.1441   -0.2219    0.0003    1
    9    1    1    2   -0.1981    0.0505   -0.1940    0.0483    0.0046    1
   10    0   -1   -1    0.2254   -0.1278    0.2267   -0.1283    0.0014    1
   11    1   -2   -1    0.5365   -0.6139    0.5314   -0.6143    0.0051    1
   12    1    0    3   -0.1860   -0.0383   -0.1815   -0.0378    0.0044    1
   13    0   -1   -3    0.1966   -0.0085    0.1981   -0.0091    0.0017    1
   14    1   -2   -3    0.5298   -0.1497    0.5323   -0.1459    0.0045    1
   15    1   -1    2   -0.3415   -0.2407   -0.3358   -0.2354    0.0078    1
   16    0    0   -1    0.1239    0.0352    0.1256    0.0356    0.0017    1
   17    1   -1   -2    0.7289   -0.0807    0.7260   -0.0804    0.0029    1
   18    1   -1   -1    1.0596   -0.5092    1.0655   -0.4953    0.0152    1
   19    0    1   -3    0.0411    0.0275    0.0407    0.0272    0.0005    1
   20    1    0   -3    0.4430    0.1645    0.4436    0.1639    0.0009    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    1   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    2   -1    0.0352    0.2702    0.0342    0.2676    0.0028    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    0   -3    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    3    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -2    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0   -1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -3    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    0   -3   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    1    2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -2   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    0    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    0   -1   -3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -2   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    0   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -1   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1   -1   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    0    1   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    0   -3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    1   -2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    2   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.79                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9980    1.0009    1.0011   90.0245   90.2806   90.5921      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0027    0.9972    1.0002   90.0245   89.9073   89.7126      0.0000         1.0025    0.9970
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0122    0.0140    0.8153    1.0655    1.2695      0.0000         0.0141    0.0147
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1930   -0.1785    0.9670)
 a2 = (    0.9531    0.2703   -0.1296)
 a3 = (   -0.2364    0.9437    0.2264)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1786   -0.1883    0.9630) (    0.0184    0.0153    0.0043)
 a2 = (    0.9564    0.2723   -0.1293) (    0.0122    0.0086    0.0060)
 a3 = (   -0.2377    0.9443    0.2270) (    0.0093    0.0140    0.0064)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.3262   76.7825 -165.8584    1.0864    0.8958    0.4849
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            145            167
# Figure of merit at the beginning and the end of the refinement
        20.8895        36.8725
# Chi-squares at the beginning and the end of the refinement
    0.0899    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7260   -0.0582   -0.7289   -0.0565    0.0034    1
    2    0    1    3   -0.0139   -0.1762   -0.0133   -0.1793    0.0032    1
    3    1    0   -3   -0.0263    0.0877   -0.0241    0.0824    0.0057    1
    4    1    1    2   -0.1988   -0.5843   -0.1976   -0.5890    0.0048    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1   -2   -0.1065    0.1181   -0.1046    0.1173    0.0020    1
    7    1    0    3    0.1164   -0.5980    0.1201   -0.5972    0.0038    1
    8    0   -1    3    0.1443   -0.2223    0.1441   -0.2219    0.0004    1
    9    1    2   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    2    0.5322   -0.6210    0.5314   -0.6143    0.0068    1
   12    1    3    0   -0.1816   -0.0376   -0.1815   -0.0378    0.0002    1
   13    0   -3    1    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    1   -3    2    0.5326   -0.1524    0.5323   -0.1459    0.0064    1
   15    1    2    1   -0.3362   -0.2357   -0.3358   -0.2354    0.0006    1
   16    0   -1    0    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    1   -2    1    0.7354   -0.0847    0.7260   -0.0804    0.0103    1
   18    1   -1    1    1.0650   -0.5290    1.0655   -0.4953    0.0337    1
   19    0   -3   -1    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    1   -3    0    0.4470    0.1659    0.4436    0.1639    0.0040    1
   21    0    1    1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1   -2   -1    0.2985    0.3361    0.2970    0.3320    0.0044    1
   23    1   -1   -2    0.0334    0.2714    0.0342    0.2676    0.0039    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    0    1    3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    0   -3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    1    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0    0    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    0    3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    0   -1    3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    2   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -1    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    3    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    0   -3    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -3    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    2    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -1    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -2    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1   -1    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    0   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -3    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -2   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -1   -2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.82                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7842    1.1121    1.1473   88.0838   89.8670   89.9136      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7934    1.1230    1.1224   89.7628   89.9419   89.9633      0.0000         0.7069    1.0005
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0179    0.0231    0.7714    0.8743    1.1043      0.0000         0.0146    0.0256
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3018    1.2048    0.2891)
 a2 = (    0.5132    0.2902   -0.6796)
 a3 = (   -0.7019   -0.0544   -0.5147)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2991    1.1903    0.2865) (    0.0118    0.0035    0.0071)
 a2 = (    0.4871    0.2874   -0.6879) (    0.0156    0.0127    0.0102)
 a3 = (   -0.7172   -0.0546   -0.5258) (    0.0183    0.0110    0.0091)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  163.5977  126.3811  -85.7978    0.4473    0.7110    0.6623
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            183
# Figure of merit at the beginning and the end of the refinement
         5.3861        35.8344
# Chi-squares at the beginning and the end of the refinement
    0.2297    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    3    1   -1   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3   -3   -1   -1   -0.0223    0.0786   -0.0241    0.0824    0.0042    1
    4    1    0   -1   -0.1842   -0.5798   -0.1976   -0.5890    0.0162    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0   -1   -0.0971    0.1113   -0.1046    0.1173    0.0096    1
    7    3   -1   -1    0.1239   -0.5839    0.1201   -0.5972    0.0138    1
    8    3   -1    1    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1    1   -3   -0.1848    0.0475   -0.1940    0.0483    0.0093    1
   10    1   -1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11    1   -1    0    0.5261   -0.5904    0.5314   -0.6143    0.0245    1
   12    0    1   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13    1   -3    3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    1   -2    1    0.5176   -0.1453    0.5323   -0.1459    0.0147    1
   15    1    1   -3   -0.3292   -0.2356   -0.3358   -0.2354    0.0066    1
   16    0   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3    1    0.7044   -0.0775    0.7260   -0.0804    0.0218    1
   18    1   -2    0    1.0164   -0.4778    1.0655   -0.4953    0.0521    0
   19   -1   -3    3    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20    0   -2    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21    1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1   -3    1    0.2886    0.3169    0.2970    0.3320    0.0172    1
   23   -1   -1    0    0.0362    0.2561    0.0342    0.2676    0.0118    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    3    1   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -3   -1   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    0   -1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    0   -1   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    3   -1   -1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    3   -1    1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    1   -3   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1    1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1   -1    0    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    0    1   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1   -3    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    1   -2    1    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    1    1   -3   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    0   -1    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1   -3    1    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    1   -2    0    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19   -1   -3    3    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    0   -2    1    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    1    1   -1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1   -3    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1   -1    0    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.84                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7915    1.1233    1.1247   89.7585   89.7752   89.8196      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7938    1.1196    1.1252   89.6874   90.0484   90.0832      0.0000         0.7055    0.9950
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0161    0.0219    0.7020    0.8496    1.0405      0.0000         0.0137    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2990    1.1936    0.2864)
 a2 = (    0.4876    0.2844   -0.6884)
 a3 = (   -0.7152   -0.0568   -0.5252)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2995    1.1897    0.2860) (    0.0117    0.0035    0.0070)
 a2 = (    0.4900    0.2901   -0.6881) (    0.0132    0.0112    0.0101)
 a3 = (   -0.7150   -0.0529   -0.5252) (    0.0173    0.0105    0.0088)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  163.5871  126.5359  -85.8174    0.4390    0.5525    0.6597
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            179            183
# Figure of merit at the beginning and the end of the refinement
        29.8902        35.2237
# Chi-squares at the beginning and the end of the refinement
    0.0398    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7298   -0.0579   -0.7289   -0.0565    0.0017    1
    2    3    1   -1   -0.0138   -0.1764   -0.0133   -0.1793    0.0030    1
    3   -3   -1   -1   -0.0253    0.0856   -0.0241    0.0824    0.0034    1
    4    1    0   -1   -0.1945   -0.5843   -0.1976   -0.5890    0.0056    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    0   -1   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    3   -1   -1    0.1187   -0.5945    0.1201   -0.5972    0.0030    1
    8    3   -1    1    0.1440   -0.2222    0.1441   -0.2219    0.0003    1
    9   -1    1   -3   -0.1927    0.0486   -0.1940    0.0483    0.0014    1
   10    1   -1    1    0.2264   -0.1285    0.2267   -0.1283    0.0003    1
   11    1   -1    0    0.5305   -0.6132    0.5314   -0.6143    0.0014    1
   12    0    1   -2   -0.1809   -0.0375   -0.1815   -0.0378    0.0006    1
   13    1   -3    3    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14    1   -2    1    0.5289   -0.1510    0.5323   -0.1459    0.0061    1
   15    1    1   -3   -0.3355   -0.2369   -0.3358   -0.2354    0.0015    1
   16    0   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3    1    0.7278   -0.0834    0.7260   -0.0804    0.0035    1
   18    1   -2    0    1.0523   -0.5160    1.0655   -0.4953    0.0246    1
   19   -1   -3    3    0.0424    0.0284    0.0407    0.0272    0.0020    1
   20    0   -2    1    0.4431    0.1640    0.4436    0.1639    0.0005    1
   21    1    1   -1   -0.0351   -0.0596   -0.0357   -0.0605    0.0011    1
   22   -1   -3    1    0.2961    0.3315    0.2970    0.3320    0.0010    1
   23   -1   -1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    3    1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -3   -1   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    0   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    0    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3   -1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    3   -1    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -1    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0    1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -3    3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -2    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -3    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1   -2    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -3    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0   -2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1   -3    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1   -1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.85                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7934    1.1210    1.1243   89.9799   89.9695   89.9877      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7938    1.1252    1.1196   89.6874   90.0832   90.0484      0.0000         0.7091    1.0050
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0219    0.0161    0.7020    1.0405    0.8496      0.0000         0.0102    0.0223
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2997   -1.1910   -0.2832)
 a2 = (    0.7180    0.0557    0.5265)
 a3 = (   -0.4839   -0.2853    0.6896)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2995   -1.1897   -0.2860) (    0.0117    0.0035    0.0070)
 a2 = (    0.7150    0.0529    0.5252) (    0.0173    0.0105    0.0088)
 a3 = (   -0.4900   -0.2901    0.6881) (    0.0132    0.0112    0.0101)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -21.0105   39.2874  -59.3158    0.5622    0.5388    0.7978
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            179            183
# Figure of merit at the beginning and the end of the refinement
        23.9063        35.2237
# Chi-squares at the beginning and the end of the refinement
    0.0523    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1   -1   -0.0135   -0.1744   -0.0133   -0.1793    0.0049    1
    3    3    1    1   -0.0264    0.0885   -0.0241    0.0824    0.0065    1
    4   -1    1    0   -0.1959   -0.5838   -0.1976   -0.5890    0.0055    1
    5   -1    0    0    0.0563   -0.2237    0.0566   -0.2258    0.0021    1
    6    1    1    0   -0.1065    0.1188   -0.1046    0.1173    0.0024    1
    7   -3    1    1    0.1182   -0.5943    0.1201   -0.5972    0.0034    1
    8   -3   -1    1    0.1432   -0.2203    0.1441   -0.2219    0.0019    1
    9    1    3   -1   -0.1942    0.0488   -0.1940    0.0483    0.0006    1
   10   -1   -1    1    0.2251   -0.1274    0.2267   -0.1283    0.0018    1
   11   -1    0    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0    2   -1   -0.1815   -0.0375   -0.1815   -0.0378    0.0003    1
   13   -1   -3    3    0.1974   -0.0085    0.1981   -0.0091    0.0009    1
   14   -1   -1    2    0.5293   -0.1506    0.5323   -0.1459    0.0055    1
   15   -1    3   -1   -0.3358   -0.2360   -0.3358   -0.2354    0.0006    1
   16    0   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    3    0.7299   -0.0826    0.7260   -0.0804    0.0045    1
   18   -1    0    2    1.0580   -0.5179    1.0655   -0.4953    0.0239    1
   19    1   -3    3    0.0430    0.0288    0.0407    0.0272    0.0028    1
   20    0   -1    2    0.4445    0.1651    0.4436    0.1639    0.0015    1
   21   -1    1   -1   -0.0343   -0.0582   -0.0357   -0.0605    0.0027    1
   22    1   -1    3    0.2974    0.3343    0.2970    0.3320    0.0023    1
   23    1    0    1    0.0338    0.2710    0.0342    0.2676    0.0034    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -3    1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    3    1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    0    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    1    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0    2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3    3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -1    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    3   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -1    3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    0    2    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -3    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0   -1    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -1    3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    0    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.87                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7989    1.1019    1.1372   91.8953   91.8058   90.6222      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7938    1.1196    1.1252   90.3126   89.9516   90.0832      0.0000         0.7055    0.9950
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0161    0.0219    0.7020    0.8496    1.0405      0.0000         0.0137    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2579   -1.1899   -0.2936)
 a2 = (   -0.5180   -0.2930    0.6859)
 a3 = (   -0.7085   -0.0549   -0.5195)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2995   -1.1897   -0.2860) (    0.0117    0.0035    0.0070)
 a2 = (   -0.4900   -0.2901    0.6881) (    0.0132    0.0112    0.0101)
 a3 = (   -0.7150   -0.0529   -0.5252) (    0.0173    0.0105    0.0088)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.4129  126.5359  -85.8174    0.4390    0.5525    0.6597
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            183
# Figure of merit at the beginning and the end of the refinement
         6.2496        35.2237
# Chi-squares at the beginning and the end of the refinement
    0.5254    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3   -1   -1   -0.0208   -0.1800   -0.0133   -0.1793    0.0076    1
    3    3    1   -1   -0.0203    0.0801   -0.0241    0.0824    0.0045    1
    4   -1    0   -1   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5   -1    0    0    0.0511   -0.2357    0.0566   -0.2258    0.0113    1
    6    1    0   -1   -0.0982    0.1154   -0.1046    0.1173    0.0067    1
    7   -3    1   -1    0.1064   -0.6076    0.1201   -0.5972    0.0173    1
    8   -3    1    1    0.1457   -0.2346    0.1441   -0.2219    0.0128    1
    9    1   -1   -3   -0.1876    0.0473   -0.1940    0.0483    0.0065    1
   10   -1    1    1    0.2345   -0.1330    0.2267   -0.1283    0.0091    1
   11   -1    1    0    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12    0   -1   -2   -0.1749   -0.0364   -0.1815   -0.0378    0.0068    1
   13   -1    3    3    0.2011   -0.0075    0.1981   -0.0091    0.0034    1
   14   -1    2    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1   -1   -3   -0.3310   -0.2286   -0.3358   -0.2354    0.0083    1
   16    0    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    3    1    0.7194   -0.0731    0.7260   -0.0804    0.0098    1
   18   -1    2    0    1.0569   -0.4933    1.0655   -0.4953    0.0088    1
   19    1    3    3    0.0421    0.0275    0.0407    0.0272    0.0014    1
   20    0    2    1    0.4305    0.1582    0.4436    0.1639    0.0142    1
   21   -1   -1   -1   -0.0373   -0.0592   -0.0357   -0.0605    0.0021    1
   22    1    3    1    0.2926    0.3099    0.2970    0.3320    0.0225    0
   23    1    1    0    0.0450    0.2567    0.0342    0.2676    0.0154    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -3   -1   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    3    1   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    0   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    0    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3    1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -1   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0   -1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3    3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    2    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -1   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    3    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    2    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    3    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    3    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.89                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7889    1.1183    1.1337   90.9599   90.3677   90.0813      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7938    1.1196    1.1252   90.3126   90.0484   89.9168      0.0000         0.7055    0.9950
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0161    0.0219    0.7020    0.8496    1.0405      0.0000         0.0137    0.0220
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3088   -1.1970   -0.2808)
 a2 = (    0.4984    0.2877   -0.6846)
 a3 = (    0.7100    0.0550    0.5207)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2995   -1.1897   -0.2860) (    0.0117    0.0035    0.0070)
 a2 = (    0.4900    0.2901   -0.6881) (    0.0132    0.0112    0.0101)
 a3 = (    0.7150    0.0529    0.5252) (    0.0173    0.0105    0.0088)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -163.5871   53.4641   94.1826    0.4390    0.5525    0.6597
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            183            183
# Figure of merit at the beginning and the end of the refinement
        10.5048        35.2237
# Chi-squares at the beginning and the end of the refinement
    0.1456    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    1    1   -0.0123   -0.1716   -0.0133   -0.1793    0.0078    1
    3    3   -1    1   -0.0260    0.0872   -0.0241    0.0824    0.0051    1
    4   -1    0    1   -0.1860   -0.5805   -0.1976   -0.5890    0.0144    1
    5   -1    0    0    0.0567   -0.2199    0.0566   -0.2258    0.0059    1
    6    1    0    1   -0.1043    0.1170   -0.1046    0.1173    0.0004    1
    7   -3   -1    1    0.1241   -0.5833    0.1201   -0.5972    0.0145    1
    8   -3   -1   -1    0.1422   -0.2163    0.1441   -0.2219    0.0059    1
    9    1    1    3   -0.1909    0.0484   -0.1940    0.0483    0.0032    1
   10   -1   -1   -1    0.2226   -0.1253    0.2267   -0.1283    0.0051    1
   11   -1   -1    0    0.5271   -0.5938    0.5314   -0.6143    0.0209    1
   12    0    1    2   -0.1783   -0.0370   -0.1815   -0.0378    0.0034    1
   13   -1   -3   -3    0.1961   -0.0084    0.1981   -0.0091    0.0022    1
   14   -1   -2   -1    0.5193   -0.1460    0.5323   -0.1459    0.0130    1
   15   -1    1    3   -0.3315   -0.2358   -0.3358   -0.2354    0.0043    1
   16    0   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -3   -1    0.7128   -0.0791    0.7260   -0.0804    0.0133    1
   18   -1   -2    0    1.0303   -0.4906    1.0655   -0.4953    0.0355    1
   19    1   -3   -3    0.0439    0.0295    0.0407    0.0272    0.0039    1
   20    0   -2   -1    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21   -1    1    1   -0.0330   -0.0566   -0.0357   -0.0605    0.0048    1
   22    1   -3   -1    0.2943    0.3283    0.2970    0.3320    0.0046    1
   23    1   -1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -3    1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    3   -1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    0    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    0    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    0    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -1    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    1    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -1    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0    1    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3   -3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -3   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -2    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -3   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0   -2   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -3   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.91                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7934    1.1192    1.1262   90.0907   90.0627   90.2110      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7938    1.1252    1.1196   89.6874   89.9168   89.9516      0.0000         0.7091    1.0050
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0219    0.0161    0.7020    1.0405    0.8496      0.0000         0.0102    0.0223
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2983   -1.1908   -0.2857)
 a2 = (   -0.7165   -0.0555   -0.5310)
 a3 = (    0.4851    0.2853   -0.6868)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2995   -1.1897   -0.2860) (    0.0117    0.0035    0.0070)
 a2 = (   -0.7150   -0.0529   -0.5252) (    0.0173    0.0105    0.0088)
 a3 = (    0.4900    0.2901   -0.6881) (    0.0132    0.0112    0.0101)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -158.9895  140.7126  120.6842    0.5622    0.5388    0.7978
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            179            183
# Figure of merit at the beginning and the end of the refinement
        18.0802        35.2237
# Chi-squares at the beginning and the end of the refinement
    0.0731    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7367   -0.0571   -0.7289   -0.0565    0.0078    1
    2   -3   -1    1   -0.0140   -0.1781   -0.0133   -0.1793    0.0014    1
    3    3   -1   -1   -0.0258    0.0872   -0.0241    0.0824    0.0051    1
    4   -1   -1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1    0   -0.1073    0.1201   -0.1046    0.1173    0.0039    1
    7   -3   -1   -1    0.1185   -0.5972    0.1201   -0.5972    0.0016    1
    8   -3    1   -1    0.1431   -0.2206    0.1441   -0.2219    0.0016    1
    9    1   -3    1   -0.1989    0.0501   -0.1940    0.0483    0.0052    1
   10   -1    1   -1    0.2229   -0.1263    0.2267   -0.1283    0.0043    1
   11   -1    0   -1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0   -2    1   -0.1876   -0.0388   -0.1815   -0.0378    0.0061    1
   13   -1    3   -3    0.1927   -0.0083    0.1981   -0.0091    0.0055    1
   14   -1    1   -2    0.5259   -0.1496    0.5323   -0.1459    0.0074    1
   15   -1   -3    1   -0.3414   -0.2400   -0.3358   -0.2354    0.0072    1
   16    0    1   -1    0.1201    0.0341    0.1256    0.0356    0.0058    1
   17   -1    1   -3    0.7256   -0.0821    0.7260   -0.0804    0.0018    1
   18   -1    0   -2    1.0557   -0.5162    1.0655   -0.4953    0.0231    1
   19    1    3   -3    0.0380    0.0254    0.0407    0.0272    0.0033    1
   20    0    1   -2    0.4391    0.1630    0.4436    0.1639    0.0045    1
   21   -1   -1    1   -0.0371   -0.0629   -0.0357   -0.0605    0.0028    1
   22    1    1   -3    0.2939    0.3297    0.2970    0.3320    0.0038    1
   23    1    0   -1    0.0339    0.2674    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -3   -1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    3   -1   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    0    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -3   -1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0   -2    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3   -3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    1   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -3    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    1   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    0   -2    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    3   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    1   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    1   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    0   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.101                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6877    1.3058    1.3070  115.2748  100.4643  100.2103      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6869    1.3189    1.3163  117.1203   99.9852  100.1628      0.0000         0.5218    1.0020
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0032    0.0244    0.0204    1.0771    1.1244    1.0643      0.0000         0.0083    0.0127
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1692   -0.8197   -0.5856)
 a2 = (   -0.4648   -0.3048    0.6873)
 a3 = (   -0.7443    0.4214    0.2228)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.1698   -0.8208   -0.5881) (    0.0100    0.0131    0.0092)
 a2 = (   -0.4871   -0.2874    0.6879) (    0.0180    0.0142    0.0110)
 a3 = (   -0.7517    0.4242    0.2243) (    0.0109    0.0097    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -22.3967   92.7690 -146.0850    0.3703    0.9655    0.5612
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            225
# Figure of merit at the beginning and the end of the refinement
         4.0023        32.3173
# Chi-squares at the beginning and the end of the refinement
    0.1833    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7218   -0.0466   -0.7289   -0.0565    0.0122    1
    2   -1   -1    2   -0.0129   -0.1738   -0.0133   -0.1793    0.0055    1
    3    1    3   -5   -0.0261    0.0865   -0.0241    0.0824    0.0045    1
    4   -1    0    1   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5   -1   -1    3    0.0560   -0.2232    0.0566   -0.2258    0.0026    1
    6    0    1   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    0    2    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8   -1   -1    5    0.1428   -0.2210    0.1441   -0.2219    0.0016    1
    9   -1    1   -3   -0.1932    0.0493   -0.1940    0.0483    0.0013    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    3    0.5394   -0.6278    0.5314   -0.6143    0.0157    1
   12   -1    0   -1   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    1    1    3    0.1989   -0.0072    0.1981   -0.0091    0.0021    1
   14    0    1    2    0.5391   -0.1484    0.5323   -0.1459    0.0072    1
   15   -1    0    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1    1    1    0.1255    0.0371    0.1256    0.0356    0.0015    1
   17    0    1    1    0.7458   -0.0719    0.7260   -0.0804    0.0215    1
   18   -1    3    4    0.8863   -0.4402    1.0655   -0.4953    0.1874    0
   19    1    1    0    0.0423    0.0291    0.0407    0.0272    0.0024    1
   20    1    3    1    0.4437    0.1761    0.4436    0.1639    0.0123    1
   21   -1   -1    1   -0.0339   -0.0588   -0.0357   -0.0605    0.0025    1
   22    1    3   -1    0.2866    0.3396    0.2970    0.3320    0.0128    1
   23    1    3   -3    0.0294    0.2662    0.0342    0.2676    0.0050    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -1   -1    2   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1    3   -5   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1    0    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5   -1   -1    3    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    0    1   -2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1    0    2    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8   -1   -1    5    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    1   -3   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    0    0    1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11   -1    1    3    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1    0   -1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    1    3    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    0    1    2    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -1    0    0   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1    1    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    0    1    1    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18   -1    3    3    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19    1    1    0    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    3    1    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21   -1   -1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    3   -1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    1    3   -3    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.102                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6842    1.3038    1.3244  116.2205   99.3874  100.7472      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6876    1.3153    1.3182  117.0300  100.1956  100.0415      0.0000         0.5216    0.9978
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0040    0.0220    0.0228    1.0261    1.0572    1.0692      0.0000         0.0095    0.0130
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.4742    0.3671   -0.3024)
 a2 = (   -0.4528   -0.7682   -0.0627)
 a3 = (   -0.4667   -0.2778    0.6877)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.4689    0.3696   -0.3016) (    0.0044    0.0160    0.0096)
 a2 = (   -0.4526   -0.7662   -0.0622) (    0.0093    0.0150    0.0052)
 a3 = (   -0.4871   -0.2874    0.6879) (    0.0185    0.0141    0.0113)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -93.9874   11.2875 -100.0563    1.8503    0.3616    1.8253
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            227
# Figure of merit at the beginning and the end of the refinement
         6.6778        32.1746
# Chi-squares at the beginning and the end of the refinement
    0.1762    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7158   -0.0605   -0.7289   -0.0565    0.0137    1
    2    1   -5    1   -0.0145   -0.1766   -0.0133   -0.1793    0.0030    1
    3   -1    2    0   -0.0255    0.0854   -0.0241    0.0824    0.0033    1
    4    0   -2    1   -0.2008   -0.5759   -0.1976   -0.5890    0.0134    1
    5    1   -3    1    0.0550   -0.2261    0.0566   -0.2258    0.0016    1
    6   -1    1    0   -0.1050    0.1167   -0.1046    0.1173    0.0007    1
    7    1   -5    3    0.1076   -0.5951    0.1201   -0.5972    0.0127    1
    8    1   -2    1    0.1423   -0.2235    0.1441   -0.2219    0.0023    1
    9   -1    0    0   -0.1931    0.0481   -0.1940    0.0483    0.0010    1
   10    1   -1    1    0.2260   -0.1302    0.2267   -0.1283    0.0020    1
   11    1   -3    3    0.5203   -0.6310    0.5314   -0.6143    0.0201    1
   12   -1   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    0    1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    1   -1    2    0.5340   -0.1584    0.5323   -0.1459    0.0125    1
   15   -1   -3    1   -0.3337   -0.2341   -0.3358   -0.2354    0.0025    1
   16    1    1    1    0.1248    0.0354    0.1256    0.0356    0.0009    1
   17    1   -1    3    0.7415   -0.0924    0.7260   -0.0804    0.0196    1
   18    1   -3    5    1.0651   -0.5578    1.0655   -0.4953    0.0625    0
   19    1    3    1    0.0412    0.0277    0.0407    0.0272    0.0007    1
   20    1    1    3    0.4486    0.1665    0.4436    0.1639    0.0057    1
   21    0   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    1    1    0.2963    0.3371    0.2970    0.3320    0.0051    1
   23   -1    3    1    0.0319    0.2681    0.0342    0.2676    0.0023    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1   -5    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -1    2    0   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0   -2    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1   -3    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1    0   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    1   -5    3    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    1   -2    1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    0    0   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1    1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1   -3    3    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1   -1    0   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    0    1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    1   -1    2    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -1   -3    1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1    1    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1   -1    3    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    1   -3    5    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19    1    3    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    1    3    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    0   -1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0    1    1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1    3    1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.103                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6817    1.3187    1.3223  117.0481   99.3698  100.3717      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6888    1.3165    1.3163  117.1164  100.3601   99.9379      0.0000         0.5233    1.0002
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0029    0.0198    0.0224    1.0031    0.9705    1.0827      0.0000         0.0089    0.0119
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.1766    0.8249    0.5893)
 a2 = (    0.7490   -0.4240   -0.2242)
 a3 = (    0.4756    0.2802   -0.6909)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.1678    0.8193    0.5867) (    0.0099    0.0129    0.0091)
 a2 = (    0.7523   -0.4233   -0.2245) (    0.0096    0.0095    0.0063)
 a3 = (    0.4900    0.2901   -0.6881) (    0.0148    0.0127    0.0106)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  134.8693  147.5423  174.7675    0.7251    0.3788    0.6869
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            219            225
# Figure of merit at the beginning and the end of the refinement
        13.9340        31.7665
# Chi-squares at the beginning and the end of the refinement
    0.1332    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7232   -0.0602   -0.7289   -0.0565    0.0068    1
    2    1   -2    1   -0.0139   -0.1765   -0.0133   -0.1793    0.0029    1
    3   -1    5   -3   -0.0265    0.0877   -0.0241    0.0824    0.0058    1
    4    1   -1    0   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5    1   -3    1    0.0566   -0.2261    0.0566   -0.2258    0.0003    1
    6    0    2   -1   -0.1069    0.1180   -0.1046    0.1173    0.0024    1
    7    1   -2    0    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8    1   -5    1    0.1443   -0.2224    0.1441   -0.2219    0.0005    1
    9    1    3   -1   -0.1943    0.0479   -0.1940    0.0483    0.0004    1
   10    0   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -3   -1    0.5305   -0.6235    0.5314   -0.6143    0.0092    1
   12    1    1    0   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13   -1   -3   -1    0.1982   -0.0085    0.1981   -0.0091    0.0006    1
   14    0   -2   -1    0.5332   -0.1534    0.5323   -0.1459    0.0075    1
   15    1    0    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -1   -1    0.7371   -0.0866    0.7260   -0.0804    0.0127    1
   18    1   -3   -3    1.0657   -0.5362    1.0655   -0.4953    0.0409    1
   19   -1    0   -1    0.0425    0.0284    0.0407    0.0272    0.0021    1
   20   -1   -1   -3    0.4480    0.1659    0.4436    0.1639    0.0048    1
   21    1   -1    1   -0.0351   -0.0594   -0.0357   -0.0605    0.0012    1
   22   -1    1   -3    0.2992    0.3371    0.2970    0.3320    0.0056    1
   23   -1    3   -3    0.0330    0.2720    0.0342    0.2676    0.0045    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -2    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    5   -3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -3    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    2   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -2    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -5    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -3   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    1    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    0    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0   -1   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1   -3   -3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    0   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1   -3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    1   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    3   -3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.104                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6866    1.3144    1.3154  116.9034   99.9177   99.8465      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6888    1.3165    1.3121  117.0996   99.8682   99.9379      0.0000         0.5250    1.0034
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0031    0.0206    0.0201    0.8719    0.8341    1.0827      0.0000         0.0078    0.0149
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6820   -0.5314   -1.2765)
 a2 = (   -0.2642    0.7138   -0.4605)
 a3 = (    0.4874    0.2884   -0.6855)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6778   -0.5292   -1.2748) (    0.0204    0.0167    0.0108)
 a2 = (   -0.2622    0.7134   -0.4637) (    0.0132    0.0186    0.0068)
 a3 = (    0.4900    0.2901   -0.6881) (    0.0155    0.0134    0.0092)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -109.6602  118.3154   90.9941    0.7170    0.9386    0.6293
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            223            225
# Figure of merit at the beginning and the end of the refinement
        22.5996        31.7665
# Chi-squares at the beginning and the end of the refinement
    0.0390    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7296   -0.0539   -0.7289   -0.0565    0.0027    1
    2   -1    2    0   -0.0141   -0.1803   -0.0133   -0.1793    0.0013    1
    3    1   -5    1   -0.0243    0.0822   -0.0241    0.0824    0.0003    1
    4   -1    1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1    3   -1    0.0574   -0.2290    0.0566   -0.2258    0.0033    1
    6    0   -2    1   -0.1027    0.1152   -0.1046    0.1173    0.0028    1
    7   -1    2   -1    0.1197   -0.5992    0.1201   -0.5972    0.0020    1
    8   -1    5   -3    0.1455   -0.2240    0.1441   -0.2219    0.0025    1
    9   -1   -3    3   -0.1925    0.0488   -0.1940    0.0483    0.0016    1
   10    0    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    3   -3    0.5345   -0.6145    0.5314   -0.6143    0.0031    1
   12   -1   -1    2   -0.1829   -0.0375   -0.1815   -0.0378    0.0013    1
   13    1    3   -5    0.1964   -0.0084    0.1981   -0.0091    0.0019    1
   14    0    2   -3    0.5283   -0.1493    0.5323   -0.1459    0.0053    1
   15   -1    0    1   -0.3389   -0.2376   -0.3358   -0.2354    0.0038    1
   16    1    1   -3    0.1228    0.0348    0.1256    0.0356    0.0029    1
   17    0    1   -2    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -1    3   -5    1.0573   -0.5110    1.0655   -0.4953    0.0177    1
   19    1    0   -2    0.0394    0.0264    0.0407    0.0272    0.0016    1
   20    1    1   -5    0.4389    0.1634    0.4436    0.1639    0.0047    1
   21   -1    1    1   -0.0372   -0.0631   -0.0357   -0.0605    0.0030    1
   22    1   -1   -3    0.2920    0.3278    0.2970    0.3320    0.0066    1
   23    1   -3   -1    0.0334    0.2627    0.0342    0.2676    0.0050    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    2    0   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -5    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    3   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -2    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    2   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    5   -3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -3    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    3   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1   -1    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3   -5    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0    2   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    0    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1   -3    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0    1   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    3   -5    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    0   -2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    1   -5    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -1   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -3   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.105                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6999    1.2675    1.2675  109.0983  100.9978  101.5966      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6888    1.3121    1.3163  116.8383  100.3601   99.8682      0.0000         0.5233    0.9968
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0181    0.0200    1.0244    0.9705    0.8341      0.0000         0.0089    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4187   -1.2227   -0.7964)
 a2 = (    0.7333   -0.4151   -0.2195)
 a3 = (    0.1571   -0.6854    0.5106)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4156   -1.2426   -0.8112) (    0.0159    0.0072    0.0088)
 a2 = (    0.7523   -0.4233   -0.2245) (    0.0113    0.0073    0.0054)
 a3 = (    0.2622   -0.7134    0.4637) (    0.0148    0.0150    0.0082)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -101.2445   32.4577   -5.2325    0.7679    0.3788    0.6869
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            225
# Figure of merit at the beginning and the end of the refinement
         2.3908        31.7665
# Chi-squares at the beginning and the end of the refinement
    0.3725    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.8236   -0.0769   -0.7289   -0.0565    0.0968    0
    2   -2   -1   -2    0.0093   -0.1865   -0.0133   -0.1793    0.0237    0
    3    1    2    3   -0.0235    0.0634   -0.0241    0.0824    0.0190    0
    4   -1    0    0   -0.1996   -0.5830   -0.1976   -0.5890    0.0063    1
    5   -1   -1   -1    0.0424   -0.2089    0.0566   -0.2258    0.0220    0
    6    0    4    3   -0.0876    0.0956   -0.1046    0.1173    0.0275    0
    7   -1   -1    0    0.1149   -0.5982    0.1201   -0.5972    0.0053    1
    8   -1   -3   -1    0.1336   -0.2174    0.1441   -0.2219    0.0115    1
    9   -1    3    1   -0.2194    0.0560   -0.1940    0.0483    0.0264    0
   10    0   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -3    1    0.5489   -0.6025    0.5314   -0.6143    0.0210    1
   12   -1    2    0   -0.1817   -0.0378   -0.1815   -0.0378    0.0002    1
   13    1   -5    1    0.2063   -0.0088    0.1981   -0.0091    0.0081    1
   14    0   -3    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1    1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1   -3    1    0.1412    0.0380    0.1256    0.0356    0.0158    1
   17    0   -2    1    0.7164   -0.0793    0.7260   -0.0804    0.0097    1
   18   -1   -5    3    1.0280   -0.4600    1.0655   -0.4953    0.0515    0
   19    2   -6    1    0.0455    0.0057    0.0407    0.0272    0.0220    0
   20    1   -5    3    0.4566    0.1520    0.4436    0.1639    0.0176    1
   21   -2    1   -2   -0.0337   -0.0911   -0.0357   -0.0605    0.0307    0
   22    1   -3    3    0.3422    0.3241    0.2970    0.3320    0.0459    0
   23    1    0    3   -0.0036    0.2242    0.0342    0.2676    0.0576    0

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    0   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    1    3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    0    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1   -1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    1    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -1    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -3   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    3    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -3    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -5    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    0   -3    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -3    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    0   -2    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -5    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -2    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -5    3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -3    3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -1    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.108                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6935    1.3065    1.3115  117.2169   99.5157   99.8701      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6882    1.3174    1.3114  117.0080   99.9646   99.8910      0.0000         0.5248    1.0046
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0028    0.0228    0.0239    0.7930    1.0771    0.9977      0.0000         0.0094    0.0120
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9662   -0.6416    0.9884)
 a2 = (   -0.0433    0.4901    0.7500)
 a3 = (   -0.4966   -0.2790    0.6873)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9773   -0.6605    0.9889) (    0.0184    0.0215    0.0132)
 a2 = (   -0.0372    0.4763    0.7497) (    0.0122    0.0132    0.0117)
 a3 = (   -0.4900   -0.2901    0.6881) (    0.0175    0.0115    0.0112)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   43.0116   70.3566  -51.4649    0.6341    0.8686    0.7125
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            225            227
# Figure of merit at the beginning and the end of the refinement
        14.3328        31.6263
# Chi-squares at the beginning and the end of the refinement
    0.0908    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7345   -0.0660   -0.7289   -0.0565    0.0110    1
    2   -1    5   -3   -0.0138   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1   -2    1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4    0    2   -1   -0.1900   -0.5836   -0.1976   -0.5890    0.0093    1
    5   -1    3   -1    0.0567   -0.2260    0.0566   -0.2258    0.0003    1
    6    1   -1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    5   -1    0.1203   -0.5909    0.1201   -0.5972    0.0063    1
    8   -1    2    0    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1    0   -1   -0.1939    0.0481   -0.1940    0.0483    0.0003    1
   10   -1    1    1    0.2257   -0.1278    0.2267   -0.1283    0.0011    1
   11   -1    3    1    0.5264   -0.6058    0.5314   -0.6143    0.0098    1
   12    1    1   -2   -0.1817   -0.0385   -0.1815   -0.0378    0.0008    1
   13   -1    0    2    0.1967   -0.0084    0.1981   -0.0091    0.0016    1
   14   -1    1    2    0.5243   -0.1502    0.5323   -0.1459    0.0091    1
   15    1    3   -3   -0.3343   -0.2394   -0.3358   -0.2354    0.0043    1
   16   -1   -1    3    0.1241    0.0352    0.1256    0.0356    0.0016    1
   17   -1    1    3    0.7195   -0.0849    0.7260   -0.0804    0.0079    1
   18   -1    3    3    1.0338   -0.5097    1.0655   -0.4953    0.0348    1
   19   -1   -3    5    0.0412    0.0276    0.0407    0.0272    0.0006    1
   20   -1   -1    5    0.4399    0.1606    0.4436    0.1639    0.0049    1
   21    0    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -1    2    0.2965    0.3271    0.2970    0.3320    0.0049    1
   23    1   -3    3    0.0356    0.2666    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    5   -3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -2    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    2   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    3   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    5   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    2    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    3    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    1   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    0    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    1    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    3   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    3    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    1    3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    3    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -3    5    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1    5    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0   -1    2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -3    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.109                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6928    1.3089    1.3095  117.2645   99.6697   99.5228      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6882    1.3114    1.3174  117.0080   99.8910   99.9646      0.0000         0.5224    0.9954
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0028    0.0239    0.0228    0.7930    0.9977    1.0771      0.0000         0.0087    0.0119
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9638    0.6461   -0.9875)
 a2 = (    0.5003    0.2815   -0.6858)
 a3 = (    0.0472   -0.4872   -0.7485)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9773    0.6605   -0.9889) (    0.0184    0.0215    0.0132)
 a2 = (    0.4900    0.2901   -0.6881) (    0.0175    0.0115    0.0112)
 a3 = (    0.0372   -0.4763   -0.7497) (    0.0122    0.0132    0.0117)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -133.6206  117.4453   -8.2426    0.7756    0.8671    0.5301
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            227            227
# Figure of merit at the beginning and the end of the refinement
        11.8205        31.6263
# Chi-squares at the beginning and the end of the refinement
    0.1015    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7357   -0.0637   -0.7289   -0.0565    0.0099    1
    2    1    3   -5   -0.0135   -0.1766   -0.0133   -0.1793    0.0027    1
    3   -1   -1    2   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4    0    1   -2   -0.1890   -0.5848   -0.1976   -0.5890    0.0096    1
    5    1    1   -3    0.0570   -0.2250    0.0566   -0.2258    0.0009    1
    6   -1    0    1   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7    1    1   -5    0.1226   -0.5897    0.1201   -0.5972    0.0079    1
    8    1    0   -2    0.1439   -0.2204    0.1441   -0.2219    0.0015    1
    9   -1    1    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1   -1   -1    0.2244   -0.1264    0.2267   -0.1283    0.0030    1
   11    1   -1   -3    0.5278   -0.6003    0.5314   -0.6143    0.0144    1
   12   -1    2   -1   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13    1   -2    0    0.1952   -0.0082    0.1981   -0.0091    0.0031    1
   14    1   -2   -1    0.5211   -0.1477    0.5323   -0.1459    0.0113    1
   15   -1    3   -3   -0.3350   -0.2394   -0.3358   -0.2354    0.0040    1
   16    1   -3    1    0.1230    0.0349    0.1256    0.0356    0.0027    1
   17    1   -3   -1    0.7145   -0.0821    0.7260   -0.0804    0.0117    1
   18    1   -3   -3    1.0301   -0.4992    1.0655   -0.4953    0.0356    1
   19    1   -5    3    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    1   -5    1    0.4370    0.1596    0.4436    0.1639    0.0078    1
   21    0    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -2    1    0.2953    0.3252    0.2970    0.3320    0.0070    1
   23   -1   -3    3    0.0356    0.2660    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3   -5   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -1    2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    1   -3    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    1   -5    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    0   -2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    1    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -1   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    2   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -2    0    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -2   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    3   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -3    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -3   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1   -3   -3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -5    3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -5    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0   -2    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1   -3    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.110                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6909    1.3118    1.3132  116.9524  100.0125  100.0968      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6882    1.3114    1.3176  116.7978  100.2755   99.9646      0.0000         0.5224    0.9953
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0201    0.0210    0.9154    0.9045    1.0771      0.0000         0.0092    0.0116
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0098   -1.1319    0.2387)
 a2 = (   -0.4526   -0.7678   -0.0626)
 a3 = (    0.0349   -0.4772   -0.7532)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0145   -1.1367    0.2392) (    0.0160    0.0145    0.0097)
 a2 = (   -0.4528   -0.7664   -0.0615) (    0.0108    0.0107    0.0051)
 a3 = (    0.0372   -0.4763   -0.7497) (    0.0120    0.0117    0.0110)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  127.4399  168.7360   79.7265    1.8488    0.3522    1.7802
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            221            227
# Figure of merit at the beginning and the end of the refinement
        21.9431        31.6263
# Chi-squares at the beginning and the end of the refinement
    0.0445    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7341   -0.0581   -0.7289   -0.0565    0.0055    1
    2   -1   -3   -1   -0.0143   -0.1784   -0.0133   -0.1793    0.0014    1
    3    1    1    0   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4    0   -1   -1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1   -1   -1    0.0569   -0.2286    0.0566   -0.2258    0.0028    1
    6    1    0    0   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7   -1   -1   -3    0.1195   -0.6017    0.1201   -0.5972    0.0046    1
    8   -1    0   -1    0.1460   -0.2249    0.1441   -0.2219    0.0035    1
    9    1   -1    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1   -1    0.2294   -0.1289    0.2267   -0.1283    0.0027    1
   11   -1    1   -3    0.5402   -0.6191    0.5314   -0.6143    0.0100    1
   12    1   -2    0   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -1    2   -1    0.1993   -0.0075    0.1981   -0.0091    0.0020    1
   14   -1    2   -2    0.5345   -0.1483    0.5323   -0.1459    0.0032    1
   15    1   -3   -1   -0.3373   -0.2384   -0.3358   -0.2354    0.0033    1
   16   -1    3   -1    0.1255    0.0363    0.1256    0.0356    0.0007    1
   17   -1    3   -3    0.7334   -0.0771    0.7260   -0.0804    0.0080    1
   18   -1    3   -5    1.0696   -0.5110    1.0655   -0.4953    0.0163    1
   19   -1    5   -1    0.0419    0.0282    0.0407    0.0272    0.0015    1
   20   -1    5   -3    0.4425    0.1671    0.4436    0.1639    0.0035    1
   21    0   -1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    2   -1    0.2946    0.3317    0.2970    0.3320    0.0024    1
   23    1    3   -1    0.0346    0.2673    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    1    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0   -1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1   -1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    0    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -1   -3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    0   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -1    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    2   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    2   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -3   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    3   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    3   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    3   -5    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    5   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    5   -3    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0    2   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    3   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.111                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6888    1.3056    1.3130  115.7420  100.7592  100.1015      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6882    1.3176    1.3114  116.7978   99.9646  100.2755      0.0000         0.5248    1.0047
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0210    0.0201    0.9154    1.0771    0.9045      0.0000         0.0094    0.0117
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.0063    1.1456   -0.2434)
 a2 = (   -0.0476    0.4657    0.7551)
 a3 = (    0.4484    0.7608    0.0621)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0145    1.1367   -0.2392) (    0.0160    0.0145    0.0097)
 a2 = (   -0.0372    0.4763    0.7497) (    0.0120    0.0117    0.0110)
 a3 = (    0.4528    0.7664    0.0615) (    0.0108    0.0107    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -9.4783  109.6434  128.5351    0.3927    0.8686    0.7125
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            225            227
# Figure of merit at the beginning and the end of the refinement
        14.2512        31.6263
# Chi-squares at the beginning and the end of the refinement
    0.1347    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7512   -0.0432   -0.7289   -0.0565    0.0260    1
    2    1    1    3   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3   -1    0   -1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    0    1    1   -0.1967   -0.6020   -0.1976   -0.5890    0.0130    1
    5    1    1    1    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6   -1    0    0   -0.1053    0.1199   -0.1046    0.1173    0.0027    1
    7    1    3    1    0.1280   -0.6037    0.1201   -0.5972    0.0103    1
    8    1    1    0    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9   -1    0    1   -0.1962    0.0519   -0.1940    0.0483    0.0042    1
   10    1    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    3   -1    0.5467   -0.6098    0.5314   -0.6143    0.0159    1
   12   -1    0    2   -0.1858   -0.0367   -0.1815   -0.0378    0.0044    1
   13    1    1   -2    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14    1    2   -2    0.5309   -0.1476    0.5323   -0.1459    0.0022    1
   15   -1    1    3   -0.3465   -0.2410   -0.3358   -0.2354    0.0121    1
   16    1    1   -3    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17    1    3   -3    0.7281   -0.0760    0.7260   -0.0804    0.0048    1
   18    1    5   -3    1.0664   -0.4908    1.0655   -0.4953    0.0046    1
   19    1    1   -5    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20    1    3   -5    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    0    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    1   -2    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    1   -3    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    1    3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    0   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    1    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    1    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    0    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    3   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    0    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    1   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1    3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1   -3    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    3   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    5   -3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    1   -5    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    3   -5    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0    1   -2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    1   -3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.112                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6967    1.3060    1.3076  116.1753   99.6387  101.6797      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6882    1.3176    1.3174  117.2688   99.8910  100.2755      0.0000         0.5224    1.0001
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0039    0.0223    0.0219    0.9152    0.9977    0.9045      0.0000         0.0087    0.0124
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.4584   -0.3631    0.3005)
 a2 = (    0.5050    0.2728   -0.6907)
 a3 = (    0.4513    0.7657    0.0625)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.4673   -0.3704    0.3007) (    0.0044    0.0158    0.0094)
 a2 = (    0.4900    0.2901   -0.6881) (    0.0159    0.0128    0.0111)
 a3 = (    0.4528    0.7664    0.0615) (    0.0092    0.0149    0.0051)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  167.3136   62.5547  171.7574    0.4054    0.8671    0.5301
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            241            227
# Figure of merit at the beginning and the end of the refinement
        10.3414        31.6263
# Chi-squares at the beginning and the end of the refinement
    0.1710    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7438   -0.0687   -0.7289   -0.0565    0.0192    1
    2   -1   -1    5   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3    1    0   -2   -0.0250    0.0854   -0.0241    0.0824    0.0031    1
    4    0   -1    2   -0.1862   -0.5892   -0.1976   -0.5890    0.0114    1
    5   -1   -1    3    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6    1    0   -1   -0.1048    0.1174   -0.1046    0.1173    0.0002    1
    7   -1   -3    5    0.1256   -0.5911    0.1201   -0.5972    0.0082    1
    8   -1   -1    2    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9    1    0    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -3    3    0.5274   -0.5999    0.5314   -0.6143    0.0149    1
   12    1    0    1   -0.1820   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -1   -1    0    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14   -1   -2    1    0.5231   -0.1512    0.5323   -0.1459    0.0106    1
   15    1   -1    3   -0.3364   -0.2422   -0.3358   -0.2354    0.0068    1
   16   -1   -1   -1    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17   -1   -3    1    0.7164   -0.0882    0.7260   -0.0804    0.0124    1
   18   -1   -5    3    1.0221   -0.5038    1.0655   -0.4953    0.0443    1
   19   -1   -1   -3    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20   -1   -3   -1    0.4428    0.1579    0.4436    0.1639    0.0060    1
   21    0    0    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0   -1   -1    0.3014    0.3274    0.2970    0.3320    0.0065    1
   23    1   -1   -3    0.0368    0.2690    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -1    5   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    0   -2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0   -1    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1   -1    3    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -3    5    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -1    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -3    3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    0    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -1    0    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -2    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -3    1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -5    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -1   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -3   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    0    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    0   -1   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -1   -3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.113                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8698    0.8744    1.4395  106.1344  107.2362   90.2371      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8737    0.8711    1.4502  107.2137  107.6285   89.9755      0.0000         0.6025    0.6007
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0050    0.0141    0.0236    1.0863    0.9934    0.8153      0.0000         0.0083    0.0074
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3382   -1.1556    0.1098)
 a2 = (    1.1512    0.2396    0.2180)
 a3 = (    0.1206   -0.1411    0.7376)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3402   -1.1527    0.1076) (    0.0145    0.0044    0.0074)
 a2 = (    1.1630    0.2399    0.2194) (    0.0213    0.0112    0.0078)
 a3 = (    0.1363   -0.1437    0.7349) (    0.0145    0.0108    0.0115)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   27.1674   11.2640 -100.2735    1.7679    0.3522    1.7802
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            237            235
# Figure of merit at the beginning and the end of the refinement
        13.1821        31.0833
# Chi-squares at the beginning and the end of the refinement
    0.0953    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2   -3    1    1   -0.0126   -0.1747   -0.0133   -0.1793    0.0046    1
    3    1    0    0   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4   -2    1    2   -0.1864   -0.5907   -0.1976   -0.5890    0.0113    1
    5   -2    0    1    0.0574   -0.2240    0.0566   -0.2258    0.0020    1
    6    2    1    0   -0.1048    0.1188   -0.1046    0.1173    0.0015    1
    7   -1    0    1    0.1269   -0.5916    0.1201   -0.5972    0.0088    1
    8   -3   -1    2    0.1443   -0.2208    0.1441   -0.2219    0.0012    1
    9    1    2    0   -0.1940    0.0497   -0.1940    0.0483    0.0014    1
   10   -1   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2   -1    3    0.5347   -0.6014    0.5314   -0.6143    0.0133    1
   12    0    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1   -3    2    0.1999   -0.0087    0.1981   -0.0091    0.0019    1
   14   -2   -3    4    0.5274   -0.1486    0.5323   -0.1459    0.0056    1
   15   -1    2    1   -0.3372   -0.2416   -0.3358   -0.2354    0.0064    1
   16    0   -2    1    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17   -1   -2    3    0.7225   -0.0803    0.7260   -0.0804    0.0035    1
   18   -2   -2    5    1.0420   -0.4941    1.0655   -0.4953    0.0236    1
   19    1   -3    1    0.0444    0.0299    0.0407    0.0272    0.0045    1
   20    0   -1    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1    1    0   -0.0338   -0.0579   -0.0357   -0.0605    0.0032    1
   22    1   -2    2    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    2   -1    1    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -3    1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    0    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2    1    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -2    0    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    2    1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    0    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3   -1    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    2    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2   -1    3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0    1    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2   -3    4    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    2    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -2    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -2    3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -2   -2    5    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0   -1    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -2    2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    2   -1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.114                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8717    0.8744    1.4466   72.4121   72.9082   89.9326      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8711    0.8737    1.4488   72.5458   72.7847   90.0245      0.0000         0.6013    0.6031
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0058    0.0150    0.0255    1.0432    1.1868    0.8153      0.0000         0.0088    0.0077
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1619   -0.2365   -0.2185)
 a2 = (    0.2030   -1.0092   -0.6270)
 a3 = (    0.1342   -0.1432    0.7365)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.1630   -0.2399   -0.2194) (    0.0025    0.0102    0.0070)
 a2 = (    0.2039   -1.0091   -0.6273) (    0.0122    0.0174    0.0104)
 a3 = (    0.1363   -0.1437    0.7349) (    0.0134    0.0124    0.0102)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -160.2124   32.4577   -5.2325    0.6370    0.3788    0.6869
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            237            235
# Figure of merit at the beginning and the end of the refinement
        26.8014        31.0833
# Chi-squares at the beginning and the end of the refinement
    0.0319    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7330   -0.0528   -0.7289   -0.0565    0.0055    1
    2   -1   -3   -2   -0.0141   -0.1753   -0.0133   -0.1793    0.0040    1
    3    0    1    1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4   -1   -2    0   -0.1968   -0.5871   -0.1976   -0.5890    0.0021    1
    5    0   -2   -1    0.0563   -0.2254    0.0566   -0.2258    0.0005    1
    6   -1    2    2   -0.1050    0.1183   -0.1046    0.1173    0.0010    1
    7    0   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1   -3   -1    0.1442   -0.2220    0.1441   -0.2219    0.0001    1
    9   -2    1    1   -0.1928    0.0492   -0.1940    0.0483    0.0016    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -2    1    0.5359   -0.6126    0.5314   -0.6143    0.0048    1
   12   -1    0    0   -0.1805   -0.0367   -0.1815   -0.0378    0.0015    1
   13    3   -1    1    0.1989   -0.0088    0.1981   -0.0091    0.0008    1
   14    3   -2    2    0.5296   -0.1495    0.5323   -0.1459    0.0045    1
   15   -2   -1    0   -0.3370   -0.2355   -0.3358   -0.2354    0.0013    1
   16    2    0    1    0.1268    0.0357    0.1256    0.0356    0.0012    1
   17    2   -1    2    0.7275   -0.0805    0.7260   -0.0804    0.0015    1
   18    2   -2    3    1.0574   -0.5071    1.0655   -0.4953    0.0143    1
   19    3    1    2    0.0438    0.0292    0.0407    0.0272    0.0036    1
   20    1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -1   -1   -0.0344   -0.0580   -0.0357   -0.0605    0.0028    1
   22    2    1    3    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    1    2    3    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -3   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0    1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -2    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0   -2   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    2    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    0   -1    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -3   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -2    1    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -2    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    0    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3   -1    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3   -2    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2   -1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    2    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2   -1    2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    2   -2    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    3    1    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    0    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    2    1    3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    2    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.115                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8636    0.8754    1.4407  105.1258  107.0822   90.9229      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8711    0.8737    1.4488  107.4542  107.2153   90.0245      0.0000         0.6013    0.6031
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0058    0.0150    0.0255    1.0432    1.1868    0.8153      0.0000         0.0088    0.0077
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.1720    0.2440    0.2220)
 a2 = (   -0.2003    0.9958    0.6187)
 a3 = (    0.1408   -0.1699    0.7230)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.1630    0.2399    0.2194) (    0.0025    0.0102    0.0070)
 a2 = (   -0.2039    1.0091    0.6273) (    0.0122    0.0174    0.0104)
 a3 = (    0.1363   -0.1437    0.7349) (    0.0134    0.0124    0.0102)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   19.7876   32.4577   -5.2325    0.6370    0.3788    0.6869
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            235
# Figure of merit at the beginning and the end of the refinement
         5.0069        31.0833
# Chi-squares at the beginning and the end of the refinement
    0.3309    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7175   -0.0405   -0.7289   -0.0565    0.0197    1
    2    1    3   -2   -0.0143   -0.1758   -0.0133   -0.1793    0.0036    1
    3    0   -1    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    2    0   -0.2013   -0.5833   -0.1976   -0.5890    0.0067    1
    5    0    2   -1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    1   -2    2   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    0    1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -1    3   -1    0.1435   -0.2185    0.1441   -0.2219    0.0035    1
    9    2   -1    1   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10   -1    1    0    0.2223   -0.1218    0.2267   -0.1283    0.0079    1
   11   -1    2    1    0.5484   -0.6042    0.5314   -0.6143    0.0197    1
   12    1    0    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -3    1    1    0.1888   -0.0050    0.1981   -0.0091    0.0102    1
   14   -3    2    2    0.5216   -0.1320    0.5323   -0.1459    0.0176    1
   15    2    1    0   -0.3352   -0.2320   -0.3358   -0.2354    0.0035    1
   16   -2    0    1    0.1163    0.0347    0.1256    0.0356    0.0094    1
   17   -2    1    2    0.7123   -0.0529    0.7260   -0.0804    0.0307    0
   18   -2    2    3    1.0782   -0.4615    1.0655   -0.4953    0.0361    1
   19   -3   -1    2    0.0363    0.0247    0.0407    0.0272    0.0051    1
   20   -1    0    1    0.4184    0.1679    0.4436    0.1639    0.0255    0
   21    1    1   -1   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22   -2   -1    3    0.2745    0.3179    0.2970    0.3320    0.0265    0
   23   -1   -2    3    0.0323    0.2544    0.0342    0.2676    0.0134    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -1    1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    2    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0    2   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -2    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    0    1    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    3   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    2   -1    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    2    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    0    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    1    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    2    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    2    1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -2    0    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -2    1    2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -2    2    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -3   -1    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    0    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -2   -1    3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1   -2    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.116                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8706    0.8717    1.4504   72.7874   72.8032   89.8673      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8737    0.8711    1.4502   72.7863   72.3715   89.9755      0.0000         0.6025    0.6007
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0050    0.0141    0.0236    1.0863    0.9934    0.8153      0.0000         0.0083    0.0074
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3379    1.1548   -0.1033)
 a2 = (   -1.1611   -0.2417   -0.2199)
 a3 = (    0.1339   -0.1403    0.7337)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3402    1.1527   -0.1076) (    0.0145    0.0044    0.0074)
 a2 = (   -1.1630   -0.2399   -0.2194) (    0.0213    0.0112    0.0078)
 a3 = (    0.1363   -0.1437    0.7349) (    0.0145    0.0108    0.0115)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -152.8326   11.2640 -100.2735    1.7679    0.3522    1.7802
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            231            235
# Figure of merit at the beginning and the end of the refinement
        23.8151        31.0833
# Chi-squares at the beginning and the end of the refinement
    0.0330    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7319   -0.0573   -0.7289   -0.0565    0.0031    1
    2    3   -1    1   -0.0141   -0.1794   -0.0133   -0.1793    0.0009    1
    3   -1    0    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    2   -1    2   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5    2    0    1    0.0571   -0.2287    0.0566   -0.2258    0.0029    1
    6   -2   -1    0   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    1    0    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    3    1    2    0.1454   -0.2244    0.1441   -0.2219    0.0028    1
    9   -1   -2    0   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    1    1    1    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11    2    1    3    0.5336   -0.6123    0.5314   -0.6143    0.0029    1
   12    0   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    3    2    0.1978   -0.0083    0.1981   -0.0091    0.0009    1
   14    2    3    4    0.5286   -0.1493    0.5323   -0.1459    0.0050    1
   15    1   -2    1   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0    2    1    0.1242    0.0354    0.1256    0.0356    0.0014    1
   17    1    2    3    0.7251   -0.0805    0.7260   -0.0804    0.0009    1
   18    2    2    5    1.0521   -0.5083    1.0655   -0.4953    0.0186    1
   19   -1    3    1    0.0406    0.0272    0.0407    0.0272    0.0002    1
   20    0    1    1    0.4394    0.1634    0.4436    0.1639    0.0042    1
   21    1   -1    0   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22   -1    2    2    0.2929    0.3274    0.2970    0.3320    0.0062    1
   23   -2    1    1    0.0344    0.2632    0.0342    0.2676    0.0045    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    3   -1    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    0    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    2   -1    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    2    0    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -2   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    0    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -2    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    2    1    3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0   -1    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    2    3    4    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -2    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    2    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    2    3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    2    2    5    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    3    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    1    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    2    2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -2    1    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.117                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8673    0.8799    1.4273  107.0822  105.1258   90.9229      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8737    0.8711    1.4488  107.2153  107.4542   90.0245      0.0000         0.6031    0.6013
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0051    0.0119    0.0212    1.1868    1.0432    0.8153      0.0000         0.0077    0.0088
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2022   -1.0051   -0.6245)
 a2 = (   -1.1503   -0.2395   -0.2179)
 a3 = (   -0.1422    0.1715   -0.7298)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2039   -1.0091   -0.6273) (    0.0109    0.0046    0.0064)
 a2 = (   -1.1630   -0.2399   -0.2194) (    0.0195    0.0101    0.0076)
 a3 = (   -0.1363    0.1437   -0.7349) (    0.0148    0.0123    0.0091)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -104.1699  147.5423  174.7675    0.6991    0.3788    0.6869
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            205            235
# Figure of merit at the beginning and the end of the refinement
        10.0049        31.0833
# Chi-squares at the beginning and the end of the refinement
    0.3174    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7312   -0.0384   -0.7289   -0.0565    0.0182    1
    2   -3   -1    2   -0.0126   -0.1747   -0.0133   -0.1793    0.0047    1
    3    1    0   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -2   -1    0   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5   -2    0    1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    2   -1   -2   -0.1004    0.1154   -0.1046    0.1173    0.0047    1
    7   -1    0    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -3    1    1    0.1430   -0.2220    0.1441   -0.2219    0.0011    1
    9    1   -2   -1   -0.1912    0.0505   -0.1940    0.0483    0.0035    1
   10   -1    1    0    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11   -2    1   -1    0.5463   -0.6186    0.5314   -0.6143    0.0155    1
   12    0   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1    3   -1    0.1993   -0.0065    0.1981   -0.0091    0.0028    1
   14   -2    3   -2    0.5375   -0.1428    0.5323   -0.1459    0.0061    1
   15   -1   -2    0   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0    2   -1    0.1249    0.0376    0.1256    0.0356    0.0021    1
   17   -1    2   -2    0.7380   -0.0609    0.7260   -0.0804    0.0228    1
   18   -2    2   -3    1.0989   -0.4904    1.0655   -0.4953    0.0338    1
   19    1    3   -2    0.0412    0.0287    0.0407    0.0272    0.0015    1
   20    0    1   -1    0.4354    0.1775    0.4436    0.1639    0.0159    1
   21   -1   -1    1   -0.0342   -0.0601   -0.0357   -0.0605    0.0016    1
   22    1    2   -3    0.2780    0.3323    0.2970    0.3320    0.0190    1
   23    2    1   -3    0.0298    0.2579    0.0342    0.2676    0.0107    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -3   -1    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    0   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -2   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -2    0    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    2   -1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    0    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -3    1    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -2   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -2    1   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0   -1    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    3   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    3   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1   -2    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    2   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    2   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -2    2   -3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    3   -2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    2   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    2    1   -3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.119                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8711    0.8719    1.4434  107.0466  106.6102   90.1188      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8711    0.8737    1.4502  107.6285  107.2137   89.9755      0.0000         0.6007    0.6025
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0058    0.0150    0.0231    0.9934    1.0863    0.8153      0.0000         0.0074    0.0083
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.1582   -0.2411   -0.2194)
 a2 = (   -0.3371    1.1520   -0.1058)
 a3 = (   -0.1260    0.1391   -0.7360)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.1630   -0.2399   -0.2194) (    0.0025    0.0102    0.0070)
 a2 = (   -0.3402    1.1527   -0.1076) (    0.0131    0.0231    0.0073)
 a3 = (   -0.1363    0.1437   -0.7349) (    0.0134    0.0124    0.0102)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -111.5447  168.7360   79.7265    1.7855    0.3522    1.7802
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            241            235
# Figure of merit at the beginning and the end of the refinement
        18.3674        31.0833
# Chi-squares at the beginning and the end of the refinement
    0.0440    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7393   -0.0587   -0.7289   -0.0565    0.0106    1
    2   -1    3   -1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3    0   -1    0   -0.0247    0.0846   -0.0241    0.0824    0.0022    1
    4   -1    2   -2   -0.1917   -0.5906   -0.1976   -0.5890    0.0061    1
    5    0    2   -1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1   -2    0   -0.1037    0.1168   -0.1046    0.1173    0.0010    1
    7    0    1   -1    0.1243   -0.5963    0.1201   -0.5972    0.0043    1
    8    1    3   -2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9   -2   -1    0   -0.1929    0.0487   -0.1940    0.0483    0.0012    1
   10    1    1   -1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1    2   -3    0.5359   -0.6063    0.5314   -0.6143    0.0091    1
   12   -1    0    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    3    1   -2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14    3    2   -4    0.5275   -0.1482    0.5323   -0.1459    0.0054    1
   15   -2    1   -1   -0.3375   -0.2397   -0.3358   -0.2354    0.0046    1
   16    2    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    1   -3    0.7221   -0.0801    0.7260   -0.0804    0.0039    1
   18    2    2   -5    1.0454   -0.4987    1.0655   -0.4953    0.0203    1
   19    3   -1   -1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20    1    0   -1    0.4407    0.1623    0.4436    0.1639    0.0033    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -1   -2    0.2963    0.3280    0.2970    0.3320    0.0041    1
   23    1   -2   -1    0.0356    0.2665    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    3   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -1    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    2   -2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0    2   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1   -2    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    0    1   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    3   -2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -2   -1    0   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    2   -3    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    0    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    3    1   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3    2   -4    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -2    1   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    2    0   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    2    1   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    2    2   -5    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    3   -1   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    0   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    2   -1   -2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -2   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.121                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6922    1.3117    1.3121  116.5567  100.1214  100.8295      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6873    1.3140    1.3186  117.0063  100.1707   99.9290      0.0000         0.5212    0.9965
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0037    0.0216    0.0274    1.3025    0.7599    0.8882      0.0000         0.0116    0.0134
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7654    0.9138    0.9745)
 a2 = (    0.4529    0.7684    0.0627)
 a3 = (   -0.2702    0.7124   -0.4636)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7862    0.9029    0.9744) (    0.0136    0.0116    0.0082)
 a2 = (    0.4526    0.7662    0.0622) (    0.0101    0.0122    0.0052)
 a3 = (   -0.2646    0.7116   -0.4636) (    0.0168    0.0171    0.0089)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  100.5022  140.0593 -125.3616    0.7509    0.4128    0.7023
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            295
# Figure of merit at the beginning and the end of the refinement
         9.3125        28.2238
# Chi-squares at the beginning and the end of the refinement
    0.0944    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2    1    3    1   -0.0145   -0.1766   -0.0133   -0.1793    0.0030    1
    3   -1   -1   -3   -0.0251    0.0853   -0.0241    0.0824    0.0030    1
    4    1    3   -1   -0.1998   -0.5799   -0.1976   -0.5890    0.0093    1
    5    1    1    1    0.0550   -0.2261    0.0566   -0.2258    0.0016    1
    6   -1    1   -3   -0.1042    0.1173   -0.1046    0.1173    0.0004    1
    7    1    1    0    0.1107   -0.5960    0.1201   -0.5972    0.0095    1
    8    1    0    1    0.1423   -0.2235    0.1441   -0.2219    0.0023    1
    9   -1    3   -3   -0.1935    0.0492   -0.1940    0.0483    0.0010    1
   10    1   -1    1    0.2260   -0.1302    0.2267   -0.1283    0.0020    1
   11    1    0    0    0.5249   -0.6267    0.5314   -0.6143    0.0140    1
   12   -1    5   -3   -0.1823   -0.0376   -0.1815   -0.0378    0.0008    1
   13    1   -2    1    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    3   -3    1    0.5331   -0.1560    0.5323   -0.1459    0.0101    1
   15    0    2   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1   -3    1    0.1248    0.0354    0.1256    0.0356    0.0009    1
   17    1   -1    0    0.7379   -0.0880    0.7260   -0.0804    0.0141    1
   18    3   -1   -1    1.0655   -0.5418    1.0655   -0.4953    0.0466    0
   19    1   -5    1    0.0412    0.0277    0.0407    0.0272    0.0007    1
   20    1   -2    0    0.4461    0.1663    0.4436    0.1639    0.0035    1
   21    0    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3   -1    0.2947    0.3344    0.2970    0.3320    0.0033    1
   23    0   -1   -1    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1    3    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -1   -1   -3   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    3   -1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    1    1    1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1    1   -3   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    1    1    0    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    1    0    1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -1    3   -3   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1    1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1    0    0    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1    5   -3   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1   -2    1    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    3   -3    1    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    0    2   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1   -3    1    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1   -1    0    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    3   -1   -1    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19    1   -5    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1   -2    0    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    0    1    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1   -3   -1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    0   -1   -1    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.122                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6934    1.2989    1.3142  116.1666  100.7045   99.8339      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6877    1.3177    1.3144  117.0371   99.8613  100.2295      0.0000         0.5232    1.0025
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0037    0.0284    0.0274    1.2026    0.9874    0.8210      0.0000         0.0112    0.0116
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1722   -1.4673    0.4055)
 a2 = (    0.0215   -0.4793   -0.7559)
 a3 = (    0.7473   -0.4231   -0.2237)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1879   -1.4777    0.4014) (    0.0197    0.0038    0.0106)
 a2 = (    0.0345   -0.4788   -0.7501) (    0.0142    0.0143    0.0132)
 a3 = (    0.7517   -0.4242   -0.2243) (    0.0154    0.0079    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  164.8306   83.8440   84.4175    0.4080    1.1585    0.5849
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            299
# Figure of merit at the beginning and the end of the refinement
         8.0289        28.0344
# Chi-squares at the beginning and the end of the refinement
    0.1014    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -1    0   -0.0139   -0.1789   -0.0133   -0.1793    0.0007    1
    3    1    0    1   -0.0268    0.0880   -0.0241    0.0824    0.0062    1
    4   -1   -3    1   -0.2033   -0.5901   -0.1976   -0.5890    0.0058    1
    5   -1   -1   -1    0.0573   -0.2278    0.0566   -0.2258    0.0022    1
    6    1   -1    3   -0.1081    0.1192   -0.1046    0.1173    0.0040    1
    7   -1   -3   -1    0.1161   -0.6044    0.1201   -0.5972    0.0083    1
    8   -1   -1   -3    0.1452   -0.2232    0.1441   -0.2219    0.0017    1
    9    0   -1    2   -0.1972    0.0491   -0.1940    0.0483    0.0033    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -1   -1    0.5359   -0.6291    0.5314   -0.6143    0.0155    1
   12   -1   -3    5   -0.1856   -0.0381   -0.1815   -0.0378    0.0041    1
   13    1    1   -5    0.1972   -0.0086    0.1981   -0.0091    0.0011    1
   14    1   -1   -5    0.5360   -0.1538    0.5323   -0.1459    0.0087    1
   15   -1   -3    3   -0.3414   -0.2377   -0.3358   -0.2354    0.0061    1
   16    1    1   -3    0.1241    0.0351    0.1256    0.0356    0.0016    1
   17    1   -1   -3    0.7425   -0.0857    0.7260   -0.0804    0.0174    1
   18    1   -3   -3    1.0793   -0.5399    1.0655   -0.4953    0.0468    0
   19    1    1   -2    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    1    0   -2    0.4493    0.1675    0.4436    0.1639    0.0068    1
   21   -1   -1    1   -0.0364   -0.0617   -0.0357   -0.0605    0.0014    1
   22    1    0   -1    0.2989    0.3394    0.2970    0.3320    0.0076    1
   23    1    0    0    0.0320    0.2726    0.0342    0.2676    0.0054    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -1   -1    0   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1    0    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -3    1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5   -1   -1   -1    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -1    3   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1   -3   -1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8   -1   -1   -3    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    0   -1    2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    0    0   -1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    0   -1   -1    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1   -3    5   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    1   -5    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    1   -1   -5    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -1   -3    3   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1    1   -3    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1   -1   -3    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    1   -3   -3    1.0586   -0.5119    1.0655   -0.4953    0.0180    1
   19    1    1   -2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    0   -2    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21   -1   -1    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    0   -1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    1    0    0    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.123                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6881    1.3049    1.3185  116.6576   99.8303   99.9185      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6867    1.3150    1.3154  116.8922   99.6876  100.2010      0.0000         0.5221    0.9998
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0028    0.0230    0.0213    0.8573    0.7220    0.7954      0.0000         0.0086    0.0174
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5264    0.1844    1.4329)
 a2 = (    0.2581   -0.7224    0.4589)
 a3 = (    0.7118    0.0474    0.5228)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5272    0.1861    1.4378) (    0.0194    0.0189    0.0074)
 a2 = (    0.2622   -0.7134    0.4637) (    0.0160    0.0168    0.0065)
 a3 = (    0.7150    0.0529    0.5252) (    0.0187    0.0103    0.0069)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   74.2141   75.5895  119.1996    0.7417    0.8919    0.7183
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            285            291
# Figure of merit at the beginning and the end of the refinement
        17.9181        27.9328
# Chi-squares at the beginning and the end of the refinement
    0.0603    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7312   -0.0486   -0.7289   -0.0565    0.0082    1
    2    1   -5    3   -0.0144   -0.1783   -0.0133   -0.1793    0.0015    1
    3   -1    5   -1   -0.0234    0.0814   -0.0241    0.0824    0.0012    1
    4    1   -3    3   -0.1961   -0.5859   -0.1976   -0.5890    0.0035    1
    5    1   -3    1    0.0559   -0.2276    0.0566   -0.2258    0.0020    1
    6   -1    3    1   -0.1003    0.1149   -0.1046    0.1173    0.0049    1
    7    1   -2    1    0.1176   -0.5959    0.1201   -0.5972    0.0029    1
    8    1   -2    0    0.1435   -0.2243    0.1441   -0.2219    0.0024    1
    9   -1    1    3   -0.1905    0.0499   -0.1940    0.0483    0.0039    1
   10    1   -1   -1    0.2267   -0.1302    0.2267   -0.1283    0.0019    1
   11    1   -1    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1   -1    5   -0.1813   -0.0367   -0.1815   -0.0378    0.0011    1
   13    1    0   -2    0.1981   -0.0091    0.1981   -0.0091    0.0000    1
   14    3   -1   -3    0.5286   -0.1508    0.5323   -0.1459    0.0061    1
   15    0   -1    2   -0.3375   -0.2366   -0.3358   -0.2354    0.0021    1
   16    1    1   -3    0.1245    0.0352    0.1256    0.0356    0.0012    1
   17    1    0   -1    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18    3   -1   -1    1.0560   -0.5088    1.0655   -0.4953    0.0165    1
   19    1    3   -5    0.0407    0.0273    0.0407    0.0272    0.0000    1
   20    1    1   -2    0.4387    0.1641    0.4436    0.1639    0.0049    1
   21    0   -1    1   -0.0363   -0.0616   -0.0357   -0.0605    0.0013    1
   22    1    3   -3    0.2900    0.3264    0.2970    0.3320    0.0089    1
   23    0    2   -1    0.0341    0.2602    0.0342    0.2676    0.0074    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -5    3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    5   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -3    3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -3    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    3    1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -2    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -2    0    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    1    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1   -1    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1   -1    5   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    0   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3   -1   -3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0   -1    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1   -3    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    0   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    3   -1   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    3   -5    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    1   -2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    3   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0    2   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.125                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6853    1.3151    1.3189  117.1756   99.4540  100.0641      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6867    1.3154    1.3150  116.8922  100.2010   99.6876      0.0000         0.5222    1.0002
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0028    0.0213    0.0230    0.8573    0.7954    0.7220      0.0000         0.0094    0.0174
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5188   -0.2016   -1.4391)
 a2 = (   -0.7195   -0.0558   -0.5237)
 a3 = (   -0.2688    0.7088   -0.4613)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5272   -0.1861   -1.4378) (    0.0194    0.0189    0.0074)
 a2 = (   -0.7150   -0.0529   -0.5252) (    0.0187    0.0103    0.0069)
 a3 = (   -0.2622    0.7134   -0.4637) (    0.0160    0.0168    0.0065)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -110.1035   97.0321  179.0512    0.7733    0.7796    0.4614
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            287            291
# Figure of merit at the beginning and the end of the refinement
        18.3656        27.9328
# Chi-squares at the beginning and the end of the refinement
    0.0620    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2   -1   -3    5   -0.0135   -0.1788   -0.0133   -0.1793    0.0006    1
    3    1    1   -5   -0.0249    0.0829   -0.0241    0.0824    0.0010    1
    4   -1   -3    3   -0.1958   -0.5863   -0.1976   -0.5890    0.0032    1
    5   -1   -1    3    0.0580   -0.2281    0.0566   -0.2258    0.0027    1
    6    1   -1   -3   -0.1025    0.1139   -0.1046    0.1173    0.0040    1
    7   -1   -1    2    0.1201   -0.5968    0.1201   -0.5972    0.0003    1
    8   -1    0    2    0.1460   -0.2237    0.1441   -0.2219    0.0026    1
    9    1   -3   -1   -0.1893    0.0478   -0.1940    0.0483    0.0048    1
   10   -1    1    1    0.2280   -0.1293    0.2267   -0.1283    0.0016    1
   11   -1    0    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1   -5    1   -0.1791   -0.0366   -0.1815   -0.0378    0.0027    1
   13   -1    2    0    0.1997   -0.0092    0.1981   -0.0091    0.0016    1
   14   -3    3    1    0.5297   -0.1524    0.5323   -0.1459    0.0070    1
   15    0   -2    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    3   -1    0.1268    0.0355    0.1256    0.0356    0.0012    1
   17   -1    1    0    0.7292   -0.0859    0.7260   -0.0804    0.0063    1
   18   -3    1    1    1.0524   -0.5202    1.0655   -0.4953    0.0281    1
   19   -1    5   -3    0.0428    0.0285    0.0407    0.0272    0.0025    1
   20   -1    2   -1    0.4453    0.1631    0.4436    0.1639    0.0019    1
   21    0   -1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3   -3    0.2974    0.3325    0.2970    0.3320    0.0007    1
   23    0    1   -2    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1   -3    5   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    1   -5   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -3    3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1   -1    3    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -1   -3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -1    2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    0    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -3   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -5    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    2    0    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    3    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0   -2    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    3   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    1    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -3    1    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    5   -3    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    2   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    3   -3    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0    1   -2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.128                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6903    1.3104    1.3153  116.6920  100.4270  100.0641      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6867    1.3154    1.3200  117.2795  100.1426   99.6876      0.0000         0.5202    0.9965
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0033    0.0205    0.0245    1.1706    0.7529    0.7220      0.0000         0.0103    0.0127
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7820    0.9039    0.9709)
 a2 = (    0.4523    0.7673    0.0626)
 a3 = (   -0.2698    0.7114   -0.4630)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7895    0.8996    0.9741) (    0.0107    0.0099    0.0074)
 a2 = (    0.4528    0.7664    0.0615) (    0.0100    0.0117    0.0050)
 a3 = (   -0.2622    0.7134   -0.4637) (    0.0154    0.0162    0.0084)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  100.3675  140.0792 -125.3118    0.6884    0.3553    0.6943
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            281            291
# Figure of merit at the beginning and the end of the refinement
        20.8281        27.9328
# Chi-squares at the beginning and the end of the refinement
    0.0425    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7235   -0.0561   -0.7289   -0.0565    0.0054    1
    2    1    3    1   -0.0137   -0.1765   -0.0133   -0.1793    0.0028    1
    3   -1   -1   -3   -0.0257    0.0857   -0.0241    0.0824    0.0037    1
    4    1    3   -1   -0.1975   -0.5832   -0.1976   -0.5890    0.0058    1
    5    1    1    1    0.0567   -0.2252    0.0566   -0.2258    0.0006    1
    6   -1    1   -3   -0.1052    0.1169   -0.1046    0.1173    0.0007    1
    7    1    1    0    0.1174   -0.5952    0.1201   -0.5972    0.0033    1
    8    1    0    1    0.1438   -0.2208    0.1441   -0.2219    0.0012    1
    9   -1    3   -3   -0.1934    0.0483   -0.1940    0.0483    0.0006    1
   10    1   -1    1    0.2247   -0.1267    0.2267   -0.1283    0.0026    1
   11    1    0    0    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12   -1    5   -3   -0.1819   -0.0377   -0.1815   -0.0378    0.0004    1
   13    1   -2    1    0.1953   -0.0081    0.1981   -0.0091    0.0030    1
   14    3   -3    1    0.5273   -0.1488    0.5323   -0.1459    0.0057    1
   15    0    2   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1   -3    1    0.1229    0.0350    0.1256    0.0356    0.0027    1
   17    1   -1    0    0.7269   -0.0805    0.7260   -0.0804    0.0009    1
   18    3   -1   -1    1.0585   -0.5162    1.0655   -0.4953    0.0221    1
   19    1   -5    1    0.0406    0.0272    0.0407    0.0272    0.0001    1
   20    1   -2    0    0.4399    0.1645    0.4436    0.1639    0.0037    1
   21    0    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3   -1    0.2932    0.3309    0.2970    0.3320    0.0039    1
   23    0   -1   -1    0.0329    0.2667    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3    1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -1   -3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    3   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    1   -3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    1    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    0    1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    3   -3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    0    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    5   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -2    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    3   -3    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0    2   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -3    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -1    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    3   -1   -1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -5    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -2    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -3   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0   -1   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.129                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6852    1.3094    1.3186  116.0908  100.4215  100.1833      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6867    1.3150    1.3200  116.9607  100.1426  100.2010      0.0000         0.5202    0.9962
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0029    0.0233    0.0249    0.9077    0.7529    0.7954      0.0000         0.0103    0.0168
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.2446   -0.1377   -0.9146)
 a2 = (    0.4502    0.7638    0.0603)
 a3 = (    0.7106    0.0406    0.5227)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.2423   -0.1332   -0.9126) (    0.0055    0.0138    0.0075)
 a2 = (    0.4528    0.7664    0.0615) (    0.0085    0.0133    0.0053)
 a3 = (    0.7150    0.0529    0.5252) (    0.0175    0.0103    0.0087)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -66.8045   39.9208   54.6882    0.6176    0.3553    0.6943
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            291            291
# Figure of merit at the beginning and the end of the refinement
        17.7721        27.9328
# Chi-squares at the beginning and the end of the refinement
    0.0777    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7332   -0.0419   -0.7289   -0.0565    0.0152    1
    2   -1    5   -1   -0.0133   -0.1761   -0.0133   -0.1793    0.0032    1
    3    1   -5    3   -0.0248    0.0845   -0.0241    0.0824    0.0022    1
    4   -1    3    1   -0.1953   -0.5907   -0.1976   -0.5890    0.0029    1
    5   -1    3   -1    0.0571   -0.2254    0.0566   -0.2258    0.0006    1
    6    1   -3    3   -0.1015    0.1157   -0.1046    0.1173    0.0035    1
    7   -1    2    0    0.1232   -0.5962    0.1201   -0.5972    0.0033    1
    8   -1    2   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1   -1    3   -0.1893    0.0504   -0.1940    0.0483    0.0052    1
   10   -1    1   -1    0.2264   -0.1295    0.2267   -0.1283    0.0012    1
   11   -1    1    0    0.5364   -0.6088    0.5314   -0.6143    0.0074    1
   12    1    1    3   -0.1797   -0.0351   -0.1815   -0.0378    0.0033    1
   13   -1    0   -1    0.2000   -0.0099    0.1981   -0.0091    0.0020    1
   14   -3    1   -1    0.5285   -0.1504    0.5323   -0.1459    0.0059    1
   15    0    1    1   -0.3393   -0.2352   -0.3358   -0.2354    0.0036    1
   16   -1   -1   -1    0.1280    0.0355    0.1256    0.0356    0.0024    1
   17   -1    0    0    0.7260   -0.0804    0.7260   -0.0804    0.0000    1
   18   -3    1    1    1.0565   -0.5000    1.0655   -0.4953    0.0102    1
   19   -1   -3   -1    0.0443    0.0294    0.0407    0.0272    0.0042    1
   20   -1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    0    1    0   -0.0345   -0.0586   -0.0357   -0.0605    0.0022    1
   22   -1   -3    1    0.2954    0.3312    0.2970    0.3320    0.0018    1
   23    0   -2    1    0.0340    0.2661    0.0342    0.2676    0.0016    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    5   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -5    3   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    3    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    3   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -3    3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    2    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    2   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -1    3   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    1    3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1    0   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    1   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    0    1    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    0    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -3    1    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -3   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    0    1    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1   -3    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    0   -2    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.133                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6885    1.3127    1.3155  116.7506  100.1132  100.1735      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6858    1.3165    1.3211  117.0839  100.1000  100.1204      0.0000         0.5191    0.9965
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0039    0.0186    0.0239    0.8890    0.7772    0.9322      0.0000         0.0103    0.0142
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9391   -1.0499    0.6275)
 a2 = (   -0.7508    0.4251    0.2248)
 a3 = (   -0.7140   -0.0558   -0.5276)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9428   -1.0565    0.6266) (    0.0137    0.0134    0.0098)
 a2 = (   -0.7523    0.4233    0.2245) (    0.0128    0.0084    0.0054)
 a3 = (   -0.7150   -0.0529   -0.5252) (    0.0186    0.0105    0.0093)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   70.9450  154.6506  -62.6613    1.1342    0.3472    1.0366
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            295            295
# Figure of merit at the beginning and the end of the refinement
        24.2457        27.7428
# Chi-squares at the beginning and the end of the refinement
    0.0349    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7344   -0.0574   -0.7289   -0.0565    0.0056    1
    2   -1    2   -1   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3    1   -2    0   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -1    3   -3   -0.1957   -0.5887   -0.1976   -0.5890    0.0019    1
    5   -1    3   -1    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6    1   -3   -1   -0.1053    0.1178   -0.1046    0.1173    0.0008    1
    7   -1    5   -3    0.1203   -0.5977    0.1201   -0.5972    0.0006    1
    8   -1    5   -1    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9    0   -1   -1   -0.1944    0.0490   -0.1940    0.0483    0.0008    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0    2   -1    0.5340   -0.6142    0.5314   -0.6143    0.0026    1
   12   -1   -1   -3   -0.1828   -0.0378   -0.1815   -0.0378    0.0013    1
   13    1    3    1    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14    1    5   -1    0.5299   -0.1506    0.5323   -0.1459    0.0053    1
   15   -1    1   -3   -0.3383   -0.2384   -0.3358   -0.2354    0.0039    1
   16    1    1    1    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17    1    3   -1    0.7290   -0.0827    0.7260   -0.0804    0.0038    1
   18    1    5   -3    1.0562   -0.5146    1.0655   -0.4953    0.0214    1
   19    1    0    1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20    1    1    0    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21   -1    1   -1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1    0    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -1    0    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    2   -1   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -2    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    3   -3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1    3   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -3   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    5   -3    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    5   -1    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0   -1   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    1    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    2   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1   -1   -3   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    5   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    1   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1    1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    3   -1    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    5   -3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1    0    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1    1    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1    0    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1   -1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.135                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6758    1.3179    1.3273  117.2040   97.8746  100.5589      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6858    1.3211    1.3165  117.0839  100.1204  100.1000      0.0000         0.5209    1.0035
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0039    0.0239    0.0186    0.8890    0.9322    0.7772      0.0000         0.0083    0.0143
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9049    1.1058   -0.6153)
 a2 = (    0.7151    0.0554    0.5244)
 a3 = (    0.7362   -0.4168   -0.2253)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9428    1.0565   -0.6266) (    0.0137    0.0134    0.0098)
 a2 = (    0.7150    0.0529    0.5252) (    0.0186    0.0105    0.0093)
 a3 = (    0.7523   -0.4233   -0.2245) (    0.0128    0.0084    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -28.6409  122.4053   31.9420    0.4758    0.8336    0.5848
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            295
# Figure of merit at the beginning and the end of the refinement
         3.2990        27.7428
# Chi-squares at the beginning and the end of the refinement
    0.3675    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1    1   -2   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -1    0    2   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4    1    3   -3   -0.1944   -0.5828   -0.1976   -0.5890    0.0070    1
    5    1    1   -3    0.0559   -0.2289    0.0566   -0.2258    0.0032    1
    6   -1    1    3   -0.0999    0.1139   -0.1046    0.1173    0.0058    1
    7    1    3   -5    0.1128   -0.5998    0.1201   -0.5972    0.0078    1
    8    1    1   -5    0.1444   -0.2274    0.1441   -0.2219    0.0054    1
    9    0    1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    0    0   -1    0.2317   -0.1312    0.2267   -0.1283    0.0058    1
   11    0    1   -2    0.5413   -0.6354    0.5314   -0.6143    0.0234    1
   12    1    3    1   -0.1841   -0.0416   -0.1815   -0.0378    0.0046    1
   13   -1   -1   -3    0.2002   -0.0047    0.1981   -0.0091    0.0049    1
   14   -1    1   -5    0.5464   -0.1459    0.5323   -0.1459    0.0141    1
   15    1    3   -1   -0.3336   -0.2435   -0.3358   -0.2354    0.0084    1
   16   -1   -1   -1    0.1220    0.0386    0.1256    0.0356    0.0046    1
   17   -1    1   -3    0.7517   -0.0627    0.7260   -0.0804    0.0312    0
   18   -1    3   -6    0.8975   -0.4411    1.0655   -0.4953    0.1765    0
   19   -1   -1    0    0.0371    0.0266    0.0407    0.0272    0.0037    1
   20   -1    0   -1    0.4354    0.1828    0.4436    0.1639    0.0206    1
   21    1    1   -1   -0.0363   -0.0648   -0.0357   -0.0605    0.0043    1
   22   -1    0    0    0.2727    0.3332    0.2970    0.3320    0.0243    0
   23   -1    0    1    0.0280    0.2530    0.0342    0.2676    0.0159    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    1   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    0    2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    3   -3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    1   -3    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    1    3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1    3   -5    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1    1   -5    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0    1    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0    1   -2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    3    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -1   -3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    1   -5    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    3   -1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    1   -3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    3   -5    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -1    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    0   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    0    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    0    1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.136                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6797    1.3175    1.3253  117.4834  100.2738   98.3836      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6858    1.3165    1.3153  116.8735   99.7502  100.1204      0.0000         0.5214    1.0009
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0031    0.0205    0.0252    0.6731    0.9110    0.9322      0.0000         0.0107    0.0155
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2123    1.0343   -1.1335)
 a2 = (    0.0326   -0.4774   -0.7461)
 a3 = (   -0.7130   -0.0553   -0.5229)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2278    1.0036   -1.1518) (    0.0250    0.0157    0.0135)
 a2 = (    0.0372   -0.4763   -0.7497) (    0.0118    0.0135    0.0106)
 a3 = (   -0.7150   -0.0529   -0.5252) (    0.0189    0.0108    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -131.3800   96.3661  -95.6139    0.7567    0.9633    0.5803
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            271            295
# Figure of merit at the beginning and the end of the refinement
        10.7771        27.7428
# Chi-squares at the beginning and the end of the refinement
    0.2140    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -2    0   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -1    2   -1   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4    1   -3   -1   -0.1912   -0.5826   -0.1976   -0.5890    0.0090    1
    5    1   -3    1    0.0564   -0.2273    0.0566   -0.2258    0.0015    1
    6   -1    3   -3   -0.1000    0.1136   -0.1046    0.1173    0.0059    1
    7    1   -5    1    0.1169   -0.5931    0.1201   -0.5972    0.0052    1
    8    1   -5    3    0.1436   -0.2237    0.1441   -0.2219    0.0018    1
    9    0    1   -2   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -2    1    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12    1    1   -5   -0.1840   -0.0402   -0.1815   -0.0378    0.0035    1
   13   -1   -3    5    0.1953   -0.0061    0.1981   -0.0091    0.0042    1
   14   -1   -5    5    0.5312   -0.1451    0.5323   -0.1459    0.0013    1
   15    1   -1   -3   -0.3344   -0.2419   -0.3358   -0.2354    0.0066    1
   16   -1   -1    3    0.1195    0.0362    0.1256    0.0356    0.0062    1
   17   -1   -3    3    0.7297   -0.0691    0.7260   -0.0804    0.0118    1
   18   -1   -5    3    1.0718   -0.5059    1.0655   -0.4953    0.0123    1
   19   -1    0    2    0.0360    0.0252    0.0407    0.0272    0.0052    1
   20   -1   -1    2    0.4303    0.1719    0.4436    0.1639    0.0155    1
   21    1   -1   -1   -0.0372   -0.0652   -0.0357   -0.0605    0.0049    1
   22   -1    0    1    0.2765    0.3256    0.2970    0.3320    0.0214    1
   23   -1    1    0    0.0300    0.2527    0.0342    0.2676    0.0155    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -2    0   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    2   -1   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -3   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1   -3    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    3   -3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -5    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    1   -5    3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0    1   -2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -2    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1    1   -5   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -1   -3    5    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1   -5    5    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1   -3   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1   -1    3    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -3    3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -5    3    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    0    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1   -1    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    0    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.137                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6893    1.3145    1.3145  117.1116  100.0606   99.8974      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6858    1.3153    1.3165  116.8735  100.1204   99.7502      0.0000         0.5209    0.9991
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0031    0.0252    0.0205    0.6731    0.9322    0.9110      0.0000         0.0083    0.0154
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2204   -0.9935    1.1533)
 a2 = (    0.7181    0.0557    0.5266)
 a3 = (   -0.0328    0.4808    0.7513)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2278   -1.0036    1.1518) (    0.0250    0.0157    0.0135)
 a2 = (    0.7150    0.0529    0.5252) (    0.0189    0.0108    0.0085)
 a3 = (   -0.0372    0.4763    0.7497) (    0.0118    0.0135    0.0106)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   62.0377   57.5947 -148.0580    0.9468    0.8336    0.5848
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            293            295
# Figure of merit at the beginning and the end of the refinement
        25.7984        27.7428
# Chi-squares at the beginning and the end of the refinement
    0.0393    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    0    2   -0.0141   -0.1776   -0.0133   -0.1793    0.0019    1
    3    1    1   -2   -0.0254    0.0858   -0.0241    0.0824    0.0036    1
    4   -1    1    3   -0.1977   -0.5865   -0.1976   -0.5890    0.0025    1
    5   -1   -1    3    0.0569   -0.2270    0.0566   -0.2258    0.0012    1
    6    1    3   -3   -0.1049    0.1171   -0.1046    0.1173    0.0003    1
    7   -1   -1    5    0.1184   -0.5980    0.1201   -0.5972    0.0019    1
    8   -1   -3    5    0.1448   -0.2229    0.1441   -0.2219    0.0011    1
    9    0    2   -1   -0.1932    0.0486   -0.1940    0.0483    0.0009    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    0   -1    2    0.5332   -0.6163    0.5314   -0.6143    0.0026    1
   12   -1    5   -1   -0.1817   -0.0374   -0.1815   -0.0378    0.0004    1
   13    1   -5    3    0.1978   -0.0086    0.1981   -0.0091    0.0006    1
   14    1   -5    5    0.5299   -0.1509    0.5323   -0.1459    0.0055    1
   15   -1    3    1   -0.3372   -0.2364   -0.3358   -0.2354    0.0017    1
   16    1   -3    1    0.1250    0.0353    0.1256    0.0356    0.0006    1
   17    1   -3    3    0.7296   -0.0832    0.7260   -0.0804    0.0045    1
   18    1   -3    5    1.0580   -0.5182    1.0655   -0.4953    0.0241    1
   19    1   -2    0    0.0419    0.0279    0.0407    0.0272    0.0013    1
   20    1   -2    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1    1    1   -0.0357   -0.0603   -0.0357   -0.0605    0.0002    1
   22    1   -1    0    0.2969    0.3319    0.2970    0.3320    0.0002    1
   23    1    0   -1    0.0341    0.2683    0.0342    0.2676    0.0007    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2   -1    0    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1    1   -2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1    3   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5   -1   -1    3    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    3   -3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -1    5    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -3    5    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0    2   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    0   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    0   -1    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12   -1    5   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -5    3    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -5    5    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15   -1    3    1   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    1   -3    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -3    3    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1   -3    5    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19    1   -2    0    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -2    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21   -1    1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22    1   -1    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23    1    0   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.138                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7947    1.1193    1.1243   90.0760   90.5300   90.5717      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7915    1.1250    1.1231   89.8584   89.7791   89.8140      0.0000         0.7047    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0143    0.0188    0.8062    1.1616    0.9655      0.0000         0.0118    0.0186
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.2004    0.3405   -0.1629)
 a2 = (   -0.0257    0.4831    0.7512)
 a3 = (    0.2724   -0.7072    0.4656)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.2050    0.3431   -0.1630) (    0.0031    0.0105    0.0073)
 a2 = (   -0.0372    0.4763    0.7497) (    0.0119    0.0104    0.0091)
 a3 = (    0.2622   -0.7134    0.4637) (    0.0145    0.0162    0.0075)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -8.6999   58.5097   20.4622    0.3984    0.5408    0.5448
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            291            301
# Figure of merit at the beginning and the end of the refinement
        14.0294        27.4649
# Chi-squares at the beginning and the end of the refinement
    0.1028    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7236   -0.0582   -0.7289   -0.0565    0.0056    1
    2    1    3   -3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0   -1    2   -0.0262    0.0870   -0.0241    0.0824    0.0050    1
    4    1    3   -1   -0.1987   -0.5831   -0.1976   -0.5890    0.0059    1
    5    0    1   -1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1   -1    3   -0.1060    0.1175   -0.1046    0.1173    0.0014    1
    7    0    2   -1    0.1156   -0.5972    0.1201   -0.5972    0.0045    1
    8   -1    3   -3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    1    0    1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10   -1    1   -1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -1    3   -1    0.5305   -0.6215    0.5314   -0.6143    0.0073    1
   12    3    1    1   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -3    1   -1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -3    3   -1    0.5323   -0.1529    0.5323   -0.1459    0.0070    1
   15    1    1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1    0    0.7356   -0.0855    0.7260   -0.0804    0.0109    1
   18   -1    2    0    1.0644   -0.5319    1.0655   -0.4953    0.0367    1
   19   -3   -1    1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -3    1    1    0.4468    0.1659    0.4436    0.1639    0.0038    1
   21    1    1   -1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    0    1    0.2977    0.3361    0.2970    0.3320    0.0042    1
   23   -1   -1    3    0.0328    0.2705    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    3   -3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0   -1    2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    3   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0    1   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -1    3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    0    2   -1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    3   -3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0    1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1   -1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    3   -1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    3    1    1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    1   -1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3    3   -1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1    1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    0    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1    1    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    2    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -3   -1    1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -3    1    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    1   -1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    0    1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1   -1    3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.139                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7937    1.1170    1.1280   89.8575   89.8896   89.8468      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7915    1.1250    1.1231   89.8584   90.2209   90.1860      0.0000         0.7047    1.0016
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0143    0.0188    0.8062    1.1616    0.9655      0.0000         0.0118    0.0186
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.2020    0.3409   -0.1631)
 a2 = (    0.0332   -0.4855   -0.7514)
 a3 = (   -0.2653    0.7063   -0.4655)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.2050    0.3431   -0.1630) (    0.0031    0.0105    0.0073)
 a2 = (    0.0372   -0.4763   -0.7497) (    0.0119    0.0104    0.0091)
 a3 = (   -0.2622    0.7134   -0.4637) (    0.0145    0.0162    0.0075)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -171.3001  121.4903 -159.5378    0.3984    0.5408    0.5448
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            299            301
# Figure of merit at the beginning and the end of the refinement
        17.6571        27.4649
# Chi-squares at the beginning and the end of the refinement
    0.0682    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7297   -0.0612   -0.7289   -0.0565    0.0047    1
    2    1   -3    3   -0.0138   -0.1763   -0.0133   -0.1793    0.0030    1
    3    0    1   -2   -0.0258    0.0869   -0.0241    0.0824    0.0048    1
    4    1   -3    1   -0.1952   -0.5840   -0.1976   -0.5890    0.0055    1
    5    0   -1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1   -3   -0.1058    0.1179   -0.1046    0.1173    0.0014    1
    7    0   -2    1    0.1177   -0.5952    0.1201   -0.5972    0.0031    1
    8   -1   -3    3    0.1441   -0.2222    0.1441   -0.2219    0.0003    1
    9    1    0   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1   -1    1    0.2265   -0.1284    0.2267   -0.1283    0.0002    1
   11   -1   -3    1    0.5296   -0.6158    0.5314   -0.6143    0.0024    1
   12    3   -1   -1   -0.1816   -0.0380   -0.1815   -0.0378    0.0002    1
   13   -3   -1    1    0.1982   -0.0086    0.1981   -0.0091    0.0005    1
   14   -3   -3    1    0.5300   -0.1522    0.5323   -0.1459    0.0066    1
   15    1   -1    0   -0.3356   -0.2373   -0.3358   -0.2354    0.0019    1
   16   -1    0    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -1    0    0.7304   -0.0855    0.7260   -0.0804    0.0068    1
   18   -1   -2    0    1.0534   -0.5233    1.0655   -0.4953    0.0305    1
   19   -3    1   -1    0.0424    0.0284    0.0407    0.0272    0.0021    1
   20   -3   -1   -1    0.4452    0.1641    0.4436    0.1639    0.0017    1
   21    1   -1    1   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22   -1    0   -1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1    1   -3    0.0342    0.2700    0.0342    0.2676    0.0024    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -3    3   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    0    1   -2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -3    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0   -1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    1   -3   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    0   -2    1    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -3    3    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1    0   -1   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1   -1    1    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -3    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    3   -1   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3   -1    1    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -3   -3    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    0   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    0    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -1   -1    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1   -2    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -3    1   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -3   -1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    1   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    0   -1    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    1   -3    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.141                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6378    0.8784    1.7849   90.0770   90.0153   90.0328      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6301    0.8886    1.7861   89.6874   89.9516   89.9168      0.0000         0.3528    0.4975
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0128    0.0348    0.7020    0.8496    1.0405      0.0000         0.0069    0.0110
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3740    1.4828    0.3462)
 a2 = (   -0.6280   -0.3626    0.8776)
 a3 = (    0.4474    0.0347    0.3355)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3773    1.4989    0.3603) (    0.0148    0.0044    0.0089)
 a2 = (   -0.6174   -0.3656    0.8670) (    0.0166    0.0141    0.0127)
 a3 = (    0.4504    0.0334    0.3308) (    0.0109    0.0066    0.0055)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   16.4129   53.4641   94.1826    0.4390    0.5525    0.6597
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            331            337
# Figure of merit at the beginning and the end of the refinement
         8.3224        25.9565
# Chi-squares at the beginning and the end of the refinement
    0.2230    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7454   -0.0578   -0.7289   -0.0565    0.0165    1
    2    3   -1    2   -0.0139   -0.1693   -0.0133   -0.1793    0.0100    1
    3   -3    1    2   -0.0290    0.0991   -0.0241    0.0824    0.0174    1
    4    1    0    2   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    1    0    0    0.0554   -0.2195    0.0566   -0.2258    0.0064    1
    6   -1    0    2   -0.1142    0.1272   -0.1046    0.1173    0.0138    1
    7    3    1    2    0.1229   -0.5973    0.1201   -0.5972    0.0028    1
    8    3    1   -2    0.1424   -0.2162    0.1441   -0.2219    0.0060    1
    9   -1   -1    6   -0.2017    0.0499   -0.1940    0.0483    0.0078    1
   10    1    1   -2    0.2230   -0.1235    0.2267   -0.1283    0.0061    1
   11    1    1    0    0.5428   -0.6069    0.5314   -0.6143    0.0136    1
   12    0   -1    4   -0.1841   -0.0382   -0.1815   -0.0378    0.0026    1
   13    1    3   -6    0.1952   -0.0074    0.1981   -0.0091    0.0034    1
   14    1    2   -2    0.5273   -0.1438    0.5323   -0.1459    0.0054    1
   15    1   -1    6   -0.3387   -0.2367   -0.3358   -0.2354    0.0032    1
   16    0    1   -2    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    3   -2    0.7243   -0.0748    0.7260   -0.0804    0.0058    1
   18    1    2    0    1.0601   -0.4927    1.0655   -0.4953    0.0059    1
   19   -1    3   -6    0.0454    0.0300    0.0407    0.0272    0.0054    1
   20    0    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -1    2   -0.0321   -0.0536   -0.0357   -0.0605    0.0078    1
   22   -1    3   -2    0.3047    0.3345    0.2970    0.3320    0.0081    1
   23   -1    1    0    0.0389    0.2826    0.0342    0.2676    0.0157    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    3   -1    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -3    1    2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1    0    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    1    0    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0    2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    3    1    2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    3    1   -2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1   -1    6   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1    1   -2    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    1    1    0    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0   -1    4   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1    3   -6    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1    2   -2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1    6   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0    1   -2    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1    3   -2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    2    0    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1    3   -6    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    2   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1    3   -2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    1    0    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.143                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8904    0.8926    1.2583   89.8569   89.9013   89.7530      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8886    0.8931    1.2601   90.0484   90.0832   89.6874      0.0000         0.7052    0.7087
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0198    0.0181    0.8496    1.0405    0.7020      0.0000         0.0101    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6154    0.3603   -0.8677)
 a2 = (   -0.9012   -0.0699   -0.6619)
 a3 = (   -0.1881    0.7509    0.1802)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6174    0.3656   -0.8670) (    0.0109    0.0142    0.0073)
 a2 = (   -0.9009   -0.0667   -0.6617) (    0.0249    0.0133    0.0108)
 a3 = (   -0.1887    0.7495    0.1802) (    0.0080    0.0110    0.0050)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -127.6856   76.7825 -165.8584    0.6124    0.8958    0.4849
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            345            347
# Figure of merit at the beginning and the end of the refinement
        24.6477        25.5797
# Chi-squares at the beginning and the end of the refinement
    0.0296    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7301   -0.0566   -0.7289   -0.0565    0.0012    1
    2    1   -1    6   -0.0139   -0.1762   -0.0133   -0.1793    0.0031    1
    3   -1   -1   -6   -0.0254    0.0861   -0.0241    0.0824    0.0039    1
    4    0   -1    2   -0.1955   -0.5852   -0.1976   -0.5890    0.0044    1
    5    0    0    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0   -1   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1   -1    6    0.1191   -0.5956    0.1201   -0.5972    0.0019    1
    8   -1    1    6    0.1442   -0.2222    0.1441   -0.2219    0.0003    1
    9    1   -3   -2   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10   -1    1    2    0.2265   -0.1282    0.2267   -0.1283    0.0002    1
   11   -1    0    2    0.5327   -0.6132    0.5314   -0.6143    0.0017    1
   12    1   -2    0   -0.1809   -0.0374   -0.1815   -0.0378    0.0007    1
   13   -3    3    2    0.1981   -0.0085    0.1981   -0.0091    0.0006    1
   14   -2    1    2    0.5291   -0.1500    0.5323   -0.1459    0.0052    1
   15    1   -3    2   -0.3359   -0.2365   -0.3358   -0.2354    0.0011    1
   16   -1    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3    1    2    0.7277   -0.0817    0.7260   -0.0804    0.0022    1
   18   -1    0    1    1.0549   -0.5128    1.0655   -0.4953    0.0204    1
   19   -3    3   -2    0.0425    0.0285    0.0407    0.0272    0.0022    1
   20   -2    1    0    0.4427    0.1641    0.4436    0.1639    0.0009    1
   21    1   -1    2   -0.0350   -0.0593   -0.0357   -0.0605    0.0014    1
   22   -3    1   -2    0.2961    0.3313    0.2970    0.3320    0.0011    1
   23   -1    0   -2    0.0344    0.2681    0.0342    0.2676    0.0005    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -1    6   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -1   -6   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0   -1    2   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0    0    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1   -2   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -1    6    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    1    6    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -3   -2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    1    2    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    0    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -2    0   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    3    2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -2    1    2    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -3    2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    0    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -3    1    2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -1    0    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -3    3   -2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    1    0    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -1    2   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -3    1   -2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    0   -2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.144                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9000    1.0752    1.0990  109.7796   91.0409   91.4038      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8886    1.0925    1.0934  109.5928   90.3033   89.7924      0.0000         0.8127    0.9992
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0219    0.0196    1.0505    0.7503    0.9020      0.0000         0.0145    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5856    0.3902   -0.8609)
 a2 = (   -0.6503    0.7290   -0.1535)
 a3 = (    0.2634    0.7852    0.4999)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6174    0.3656   -0.8670) (    0.0109    0.0142    0.0073)
 a2 = (   -0.6391    0.7161   -0.1507) (    0.0174    0.0126    0.0063)
 a3 = (    0.2618    0.7828    0.5110) (    0.0116    0.0130    0.0082)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -101.4900   51.8289  138.8364    0.8999    0.6889    0.7647
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            359            349
# Figure of merit at the beginning and the end of the refinement
         6.1394        25.5063
# Chi-squares at the beginning and the end of the refinement
    0.3443    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7124   -0.0438   -0.7289   -0.0565    0.0208    1
    2    1    2    4   -0.0113   -0.1660   -0.0133   -0.1793    0.0135    1
    3   -1   -4   -2   -0.0272    0.0891   -0.0241    0.0824    0.0074    1
    4    0    0    1   -0.1920   -0.5723   -0.1976   -0.5890    0.0176    1
    5    0    1    1    0.0549   -0.2147    0.0566   -0.2258    0.0112    1
    6    0   -1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -1    2    4    0.1155   -0.5839    0.1201   -0.5972    0.0141    1
    8   -1    4    2    0.1390   -0.2140    0.1441   -0.2219    0.0094    1
    9    1   -4    2   -0.1902    0.0489   -0.1940    0.0483    0.0039    1
   10   -1    2    0    0.2223   -0.1259    0.2267   -0.1283    0.0050    1
   11   -1    1    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1   -2    2   -0.1772   -0.0369   -0.1815   -0.0378    0.0045    1
   13   -3    4   -2    0.1980   -0.0071    0.1981   -0.0091    0.0020    1
   14   -1    1    0    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    1   -2    4   -0.3285   -0.2316   -0.3358   -0.2354    0.0082    1
   16   -1    1   -1    0.1271    0.0378    0.1256    0.0356    0.0027    1
   17   -3    2    0    0.7378   -0.0694    0.7260   -0.0804    0.0161    1
   18   -2    1    1    1.0864   -0.5117    1.0655   -0.4953    0.0266    1
   19   -3    2   -4    0.0453    0.0314    0.0407    0.0272    0.0062    1
   20   -2    1   -1    0.4413    0.1771    0.4436    0.1639    0.0134    1
   21    1    0    2   -0.0304   -0.0536   -0.0357   -0.0605    0.0087    1
   22   -3    0   -2    0.2840    0.3409    0.2970    0.3320    0.0157    1
   23   -1   -1   -1    0.0279    0.2673    0.0342    0.2676    0.0063    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1    2    4   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1   -4   -2   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0    0    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0    1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0   -1    0   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1    2    4    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1    4    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -4    2   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    2    0    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1    1    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -2    2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    4   -2    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    1    0    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -2    4   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1   -1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -3    2    0    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -2    1    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -3    2   -4    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    1   -1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    0    2   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -3    0   -2    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1   -1   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.145                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8814    1.0917    1.1073   69.8608   88.4716   89.1520      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8886    1.0934    1.0925   70.4072   89.7924   89.6967      0.0000         0.8133    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0196    0.0219    1.0505    0.9020    0.7503      0.0000         0.0163    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6400    0.3657   -0.8630)
 a2 = (   -0.2628   -0.7832   -0.5190)
 a3 = (   -0.6304    0.7140   -0.1359)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6174    0.3656   -0.8670) (    0.0109    0.0142    0.0073)
 a2 = (   -0.2618   -0.7828   -0.5110) (    0.0116    0.0130    0.0082)
 a3 = (   -0.6391    0.7161   -0.1507) (    0.0174    0.0126    0.0063)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -124.5114  110.7796 -122.0772    0.6310    0.7466    0.5881
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            359            349
# Figure of merit at the beginning and the end of the refinement
         6.1468        25.5063
# Chi-squares at the beginning and the end of the refinement
    0.3237    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2    1   -4    2   -0.0166   -0.1896   -0.0133   -0.1793    0.0108    1
    3   -1    2   -4   -0.0202    0.0713   -0.0241    0.0824    0.0118    1
    4    0   -1    0   -0.1999   -0.5957   -0.1976   -0.5890    0.0070    1
    5    0   -1    1    0.0593   -0.2413    0.0566   -0.2258    0.0158    1
    6    0    0   -1   -0.0945    0.1070   -0.1046    0.1173    0.0145    1
    7   -1   -4    2    0.1237   -0.6108    0.1201   -0.5972    0.0141    1
    8   -1   -2    4    0.1529   -0.2353    0.1441   -0.2219    0.0159    1
    9    1   -2   -4   -0.1834    0.0460   -0.1940    0.0483    0.0109    1
   10   -1    0    2    0.2370   -0.1324    0.2267   -0.1283    0.0111    1
   11   -1   -1    1    0.5470   -0.6142    0.5314   -0.6143    0.0155    1
   12    1   -2   -2   -0.1766   -0.0367   -0.1815   -0.0378    0.0051    1
   13   -3    2    4    0.2025   -0.0078    0.1981   -0.0091    0.0045    1
   14   -1    0    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    1   -4   -2   -0.3372   -0.2365   -0.3358   -0.2354    0.0018    1
   16   -1    1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -3    0    2    0.7207   -0.0750    0.7260   -0.0804    0.0076    1
   18   -2   -1    1    1.0526   -0.4893    1.0655   -0.4953    0.0142    1
   19   -3    4    2    0.0396    0.0262    0.0407    0.0272    0.0015    1
   20   -2    1    1    0.4340    0.1599    0.4436    0.1639    0.0104    1
   21    1   -2    0   -0.0401   -0.0664   -0.0357   -0.0605    0.0074    1
   22   -3    2    0    0.2901    0.3159    0.2970    0.3320    0.0175    1
   23   -1    1   -1    0.0369    0.2522    0.0342    0.2676    0.0156    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    1   -4    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    2   -4   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    0   -1    0   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    0   -1    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    0    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7   -1   -4    2    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8   -1   -2    4    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    1   -2   -4   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10   -1    0    2    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11   -1   -1    1    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    1   -2   -2   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13   -3    2    4    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14   -1    0    1    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -4   -2   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16   -1    1    1    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17   -3    0    2    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18   -2   -1    1    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -3    4    2    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -2    1    1    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1   -2    0   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -3    2    0    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -1    1   -1    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.147                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6920    1.1492    1.3868  107.5831   90.0949  107.0736      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6935    1.1510    1.3828  107.2137   89.9755  107.6285      0.0000         0.5015    0.8324
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0040    0.0187    0.0224    1.0863    0.8153    0.9934      0.0000         0.0074    0.0103
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4327    1.4500   -0.1355)
 a2 = (   -0.1754    0.1711   -0.9278)
 a3 = (   -0.7318   -0.1523   -0.1386)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4287    1.4524   -0.1356) (    0.0182    0.0055    0.0094)
 a2 = (   -0.1717    0.1810   -0.9259) (    0.0182    0.0137    0.0146)
 a3 = (   -0.7326   -0.1511   -0.1382) (    0.0134    0.0070    0.0049)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -174.8431   82.8632  -74.1986    0.3578    1.0197    0.6634
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            355            357
# Figure of merit at the beginning and the end of the refinement
        20.3525        25.2189
# Chi-squares at the beginning and the end of the refinement
    0.0468    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -2   -0.7304   -0.0595   -0.7289   -0.0565    0.0033    1
    2    3   -1   -2   -0.0135   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    0    0   -0.0256    0.0858   -0.0241    0.0824    0.0037    1
    4    1   -1   -1   -0.1943   -0.5860   -0.1976   -0.5890    0.0044    1
    5    2   -1    0    0.0572   -0.2262    0.0566   -0.2258    0.0008    1
    6   -1    0   -1   -0.1050    0.1170   -0.1046    0.1173    0.0005    1
    7    1   -1    0    0.1198   -0.5955    0.1201   -0.5972    0.0017    1
    8    3   -2    2    0.1447   -0.2223    0.1441   -0.2219    0.0007    1
    9   -1    0   -4   -0.1933    0.0484   -0.1940    0.0483    0.0008    1
   10    1   -1    2    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -3    2    0.5313   -0.6137    0.5314   -0.6143    0.0006    1
   12    0    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1   -2    6    0.1983   -0.0086    0.1981   -0.0091    0.0005    1
   14    1   -2    3    0.5296   -0.1513    0.5323   -0.1459    0.0060    1
   15    1   -1   -4   -0.3363   -0.2378   -0.3358   -0.2354    0.0024    1
   16    0   -1    4    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -3    4    0.7292   -0.0842    0.7260   -0.0804    0.0050    1
   18    2   -5    4    1.0531   -0.5183    1.0655   -0.4953    0.0262    1
   19   -1   -1    6    0.0423    0.0283    0.0407    0.0272    0.0019    1
   20    0   -1    2    0.4444    0.1642    0.4436    0.1639    0.0009    1
   21    1    0   -2   -0.0353   -0.0600   -0.0357   -0.0605    0.0006    1
   22   -1   -2    4    0.2972    0.3330    0.2970    0.3320    0.0010    1
   23   -2   -1    2    0.0337    0.2688    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -2   -0.7303   -0.0546   -0.7289   -0.0565    0.0023    1
    2    3   -1   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    0    0   -0.0251    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -1   -1   -0.1961   -0.5877   -0.1976   -0.5890    0.0020    1
    5    2   -1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0   -1   -0.1043    0.1166   -0.1046    0.1173    0.0008    1
    7    1   -1    0    0.1209   -0.5978    0.1201   -0.5972    0.0011    1
    8    3   -2    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9   -1    0   -4   -0.1924    0.0481   -0.1940    0.0483    0.0016    1
   10    1   -1    2    0.2269   -0.1281    0.2267   -0.1283    0.0003    1
   11    2   -3    2    0.5371   -0.6123    0.5314   -0.6143    0.0060    1
   12    0    0   -1   -0.1807   -0.0379   -0.1815   -0.0378    0.0008    1
   13    1   -2    6    0.1979   -0.0087    0.1981   -0.0091    0.0005    1
   14    1   -2    3    0.5292   -0.1481    0.5323   -0.1459    0.0038    1
   15    1   -1   -4   -0.3364   -0.2368   -0.3358   -0.2354    0.0015    1
   16    0   -1    4    0.1253    0.0351    0.1256    0.0356    0.0006    1
   17    1   -3    4    0.7265   -0.0784    0.7260   -0.0804    0.0020    1
   18    2   -5    4    1.0592   -0.5049    1.0655   -0.4953    0.0115    1
   19   -1   -1    6    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    0   -1    2    0.4409    0.1641    0.4436    0.1639    0.0027    1
   21    1    0   -2   -0.0349   -0.0600   -0.0357   -0.0605    0.0009    1
   22   -1   -2    4    0.2949    0.3296    0.2970    0.3320    0.0032    1
   23   -2   -1    2    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.148                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9711    0.9781    1.1478   90.0913  113.4628   90.0496      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9793    0.9792    1.1510   90.2889  115.0296   89.8680      0.0000         0.8508    0.8508
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0085    0.0157    0.0192    0.9831    1.0613    0.8744      0.0000         0.0101    0.0121
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9431    0.5745   -0.2017)
 a2 = (    0.5179    0.8786    0.0717)
 a3 = (   -0.1512    0.1667   -0.9227)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9468    0.5756   -0.2060) (    0.0077    0.0127    0.0070)
 a2 = (    0.5182    0.8772    0.0704) (    0.0116    0.0154    0.0058)
 a3 = (   -0.1716    0.1807   -0.9259) (    0.0168    0.0148    0.0134)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -69.3291  168.7367   79.7462    1.8650    0.3523    1.7821
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.5884        10.5098
# Chi-squares at the beginning and the end of the refinement
    0.1408    0.0168
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7365   -0.0628   -0.7289   -0.0565    0.0098    1
    2    2    4   -1   -0.0133   -0.1782   -0.0133   -0.1793    0.0011    1
    3   -1   -1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    3   -2   -0.1863   -0.5870   -0.1976   -0.5890    0.0115    1
    5    2    2   -1    0.0580   -0.2271    0.0566   -0.2258    0.0019    1
    6   -3   -1    0   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7    1    1   -1    0.1256   -0.5895    0.1201   -0.5972    0.0094    1
    8    2    1   -1    0.1455   -0.2225    0.1441   -0.2219    0.0015    1
    9   -3    1    0   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10    2    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    1   -3    0.5276   -0.5969    0.5314   -0.6143    0.0178    1
   12   -1    1    0   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13    2   -1   -1    0.1983   -0.0091    0.1981   -0.0091    0.0002    1
   14    4   -1   -3    0.4658   -0.1116    0.5323   -0.1459    0.0748    0
   15   -1    3   -1   -0.3345   -0.2394   -0.3358   -0.2354    0.0041    1
   16    2   -2   -1    0.1259    0.0352    0.1256    0.0356    0.0005    1
   17    3   -1   -3    0.7127   -0.0849    0.7260   -0.0804    0.0141    1
   18    4    0   -5    1.0214   -0.4959    1.0655   -0.4953    0.0441    1
   19    2   -4   -1    0.0424    0.0282    0.0407    0.0272    0.0019    1
   20    1   -1   -1    0.4391    0.1578    0.4436    0.1639    0.0075    1
   21    0    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -3   -2    0.2972    0.3243    0.2970    0.3320    0.0077    1
   23   -1   -3   -1    0.0360    0.2644    0.0342    0.2676    0.0037    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -1   -0.7305   -0.0545   -0.7289   -0.0565    0.0025    1
    2    2    4   -1   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3   -1   -1    0   -0.0251    0.0852   -0.0241    0.0824    0.0030    1
    4    1    3   -2   -0.1960   -0.5877   -0.1976   -0.5890    0.0021    1
    5    2    2   -1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -3   -1    0   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7    1    1   -1    0.1208   -0.5976    0.1201   -0.5972    0.0008    1
    8    2    1   -1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -3    1    0   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    2    0   -1    0.2268   -0.1282    0.2267   -0.1283    0.0001    1
   11    3    1   -3    0.5365   -0.6122    0.5314   -0.6143    0.0054    1
   12   -1    1    0   -0.1808   -0.0378   -0.1815   -0.0378    0.0008    1
   13    2   -1   -1    0.1979   -0.0088    0.1981   -0.0091    0.0004    1
   14    4   -1   -3    0.4715   -0.1103    0.5323   -0.1459    0.0704    0
   15   -1    3   -1   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16    2   -2   -1    0.1254    0.0350    0.1256    0.0356    0.0007    1
   17    3   -1   -3    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18    4    0   -5    1.0583   -0.5057    1.0655   -0.4953    0.0127    1
   19    2   -4   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20    1   -1   -1    0.4411    0.1639    0.4436    0.1639    0.0025    1
   21    0    1    0   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    1   -3   -2    0.2950    0.3297    0.2970    0.3320    0.0031    1
   23   -1   -3   -1    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.149                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9755    0.9765    1.1555  114.6841   90.4902   90.0494      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9793    0.9792    1.1501  114.9377   90.1888   89.8680      0.0000         0.8514    0.8514
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0141    0.0172    1.0596    1.1238    0.8744      0.0000         0.0127    0.0105
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.8633   -0.4888   -0.2584)
 a2 = (   -0.6008   -0.7912   -0.5324)
 a3 = (   -0.1640    0.1778   -0.9213)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.8610   -0.4852   -0.2570) (    0.0050    0.0082    0.0058)
 a2 = (   -0.6040   -0.7868   -0.5334) (    0.0137    0.0132    0.0083)
 a3 = (   -0.1716    0.1807   -0.9259) (    0.0181    0.0153    0.0115)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -152.0274  147.5504  174.7383    0.6799    0.3802    0.6966
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         7.8512        10.0988
# Chi-squares at the beginning and the end of the refinement
    0.0454    0.0168
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7299   -0.0559   -0.7289   -0.0565    0.0011    1
    2   -1   -2    1   -0.0138   -0.1777   -0.0133   -0.1793    0.0017    1
    3    1    1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1   -3    0   -0.1920   -0.5853   -0.1976   -0.5890    0.0067    1
    5   -2   -2    1    0.0571   -0.2269    0.0566   -0.2258    0.0012    1
    6    3    1   -2   -0.1016    0.1146   -0.1046    0.1173    0.0041    1
    7   -1   -1    0    0.1216   -0.5929    0.1201   -0.5972    0.0045    1
    8   -4   -2    1    0.1448   -0.2227    0.1441   -0.2219    0.0011    1
    9    3   -1   -1   -0.1899    0.0483   -0.1940    0.0483    0.0041    1
   10   -1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3   -1   -1    0.5314   -0.6055    0.5314   -0.6143    0.0088    1
   12    1   -1    0   -0.1795   -0.0371   -0.1815   -0.0378    0.0022    1
   13   -4    2   -1    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14   -4    1   -2    0.6008   -0.1303    0.5323   -0.1459    0.0702    0
   15    1   -3    0   -0.3348   -0.2368   -0.3358   -0.2354    0.0016    1
   16   -2    2   -1    0.1250    0.0354    0.1256    0.0356    0.0006    1
   17   -3    1   -2    0.7195   -0.0803    0.7260   -0.0804    0.0065    1
   18   -4    0   -3    1.0422   -0.5003    1.0655   -0.4953    0.0238    1
   19   -1    2   -1    0.0418    0.0279    0.0407    0.0272    0.0012    1
   20   -1    1   -1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21    0   -2    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1    3   -3    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23    1    3   -3    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7305   -0.0545   -0.7289   -0.0565    0.0025    1
    2   -1   -2    1   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3    1    1   -1   -0.0251    0.0852   -0.0241    0.0824    0.0030    1
    4   -1   -3    0   -0.1960   -0.5877   -0.1976   -0.5890    0.0021    1
    5   -2   -2    1    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    3    1   -2   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -1   -1    0    0.1208   -0.5976    0.1201   -0.5972    0.0008    1
    8   -4   -2    1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    3   -1   -1   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10   -1    0    0    0.2268   -0.1282    0.2267   -0.1283    0.0001    1
   11   -3   -1   -1    0.5365   -0.6122    0.5314   -0.6143    0.0054    1
   12    1   -1    0   -0.1808   -0.0378   -0.1815   -0.0378    0.0008    1
   13   -4    2   -1    0.1979   -0.0088    0.1981   -0.0091    0.0004    1
   14   -4    1   -2    0.6059   -0.1301    0.5323   -0.1459    0.0752    0
   15    1   -3    0   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16   -2    2   -1    0.1254    0.0350    0.1256    0.0356    0.0007    1
   17   -3    1   -2    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18   -4    0   -3    1.0583   -0.5057    1.0655   -0.4953    0.0127    1
   19   -1    2   -1    0.0425    0.0277    0.0407    0.0272    0.0018    1
   20   -1    1   -1    0.4411    0.1639    0.4436    0.1639    0.0025    1
   21    0   -2    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -1    3   -3    0.2950    0.3297    0.2970    0.3320    0.0031    1
   23    1    3   -3    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.150                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9557    1.0480    1.0532   87.9887   76.5514   77.1270      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9586    1.0468    1.0505   87.0833   77.0938   76.7103      0.0000         0.9125    0.9965
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0047    0.0147    0.0168    0.8017    1.2349    1.0895      0.0000         0.0152    0.0201
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9157   -0.6125    0.0567)
 a2 = (   -0.0446    0.5320    0.8206)
 a3 = (   -0.2855    0.7858   -0.5044)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9127   -0.6084    0.0542) (    0.0060    0.0091    0.0066)
 a2 = (   -0.0374    0.5275    0.8269) (    0.0158    0.0129    0.0106)
 a3 = (   -0.2939    0.7794   -0.5099) (    0.0180    0.0164    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
    3.2254  118.6819 -144.7632    0.3930    0.6818    0.5958
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0008    0.0000    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.9915         7.1904
# Chi-squares at the beginning and the end of the refinement
    0.1110    0.0549
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    1   -2   -0.7233   -0.0569   -0.7289   -0.0565    0.0056    1
    2   -1    2    2   -0.0139   -0.1761   -0.0133   -0.1793    0.0032    1
    3    0   -1   -2   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -2    4    1   -0.1918   -0.5804   -0.1976   -0.5890    0.0103    1
    5    0    1    1    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2   -2   -5   -0.1011    0.1138   -0.1046    0.1173    0.0049    1
    7    0    2    1    0.1196   -0.5903    0.1201   -0.5972    0.0068    1
    8    1    3    3    0.1295   -0.2270    0.1441   -0.2219    0.0154    1
    9   -4   -1   -4   -0.1880    0.0475   -0.1940    0.0483    0.0061    1
   10    1    1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2    5    2    0.5286   -0.6053    0.5314   -0.6143    0.0094    1
   12   -2    0   -1   -0.1771   -0.0367   -0.1815   -0.0378    0.0046    1
   13    2    1    1    0.1984   -0.0085    0.1981   -0.0091    0.0007    1
   14    2    2    1    0.5246   -0.1486    0.5323   -0.1459    0.0081    1
   15   -4    2   -1   -0.3315   -0.2344   -0.3358   -0.2354    0.0044    1
   16    4    1    1    0.1259    0.0357    0.1256    0.0356    0.0003    1
   17    4    4    1    0.7191   -0.0808    0.7260   -0.0804    0.0070    1
   18    3    5    1    0.9305   -0.4597    1.0655   -0.4953    0.1395    0
   19    1    0    0    0.0428    0.0286    0.0407    0.0272    0.0025    1
   20    2    1    0    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21   -2    1    1   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    4    1   -2    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23    2   -1   -4    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2    1   -2   -0.7264   -0.0568   -0.7289   -0.0565    0.0025    1
    2   -1    2    2   -0.0131   -0.1789   -0.0133   -0.1793    0.0005    1
    3    0   -1   -2   -0.0246    0.0848   -0.0241    0.0824    0.0025    1
    4   -2    4    1   -0.1972   -0.5883   -0.1976   -0.5890    0.0008    1
    5    0    1    1    0.0586   -0.2279    0.0566   -0.2258    0.0030    1
    6   -2   -2   -5   -0.1040    0.1162   -0.1046    0.1173    0.0012    1
    7    0    2    1    0.1213   -0.5994    0.1201   -0.5972    0.0025    1
    8    1    3    3    0.1320   -0.2280    0.1441   -0.2219    0.0135    1
    9   -4   -1   -4   -0.1920    0.0480   -0.1940    0.0483    0.0021    1
   10    1    1    1    0.2277   -0.1274    0.2267   -0.1283    0.0014    1
   11    2    5    2    0.5368   -0.6141    0.5314   -0.6143    0.0054    1
   12   -2    0   -1   -0.1809   -0.0375   -0.1815   -0.0378    0.0007    1
   13    2    1    1    0.1977   -0.0082    0.1981   -0.0091    0.0010    1
   14    2    2    1    0.5297   -0.1488    0.5323   -0.1459    0.0039    1
   15   -4    2   -1   -0.3368   -0.2363   -0.3358   -0.2354    0.0014    1
   16    4    1    1    0.1249    0.0352    0.1256    0.0356    0.0008    1
   17    4    4    1    0.7281   -0.0809    0.7260   -0.0804    0.0021    1
   18    3    5    1    0.9463   -0.4674    1.0655   -0.4953    0.1224    0
   19    1    0    0    0.0419    0.0274    0.0407    0.0272    0.0012    1
   20    2    1    0    0.4424    0.1635    0.4436    0.1639    0.0012    1
   21   -2    1    1   -0.0355   -0.0612   -0.0357   -0.0605    0.0007    1
   22    4    1   -2    0.2967    0.3308    0.2970    0.3320    0.0013    1
   23    2   -1   -4    0.0345    0.2675    0.0342    0.2676    0.0003    1

###            No.151                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.4788    1.4364    1.4548   88.0926   89.5898   89.9532      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.4807    1.4383    1.4463   89.7163   90.0334   89.9803      0.0000         0.3324    0.9945
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0224    0.0206    1.3723    1.1479    0.8428      0.0000         0.0047    0.0128
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4943   -1.9734   -0.4730)
 a2 = (    0.6645    0.1885   -0.0902)
 a3 = (    0.1032   -0.1290    0.6676)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4944   -1.9646   -0.4725) (    0.0196    0.0059    0.0125)
 a2 = (    0.6631    0.1887   -0.0897) (    0.0109    0.0064    0.0048)
 a3 = (    0.1237   -0.1299    0.6677) (    0.0138    0.0113    0.0097)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -119.6180   15.1473   44.6216    1.5921    0.3435    1.5466
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003    0.0000      0.0024    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7808         7.0694
# Chi-squares at the beginning and the end of the refinement
    0.1389    0.0179
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7477   -0.0580   -0.7289   -0.0565    0.0189    1
    2   -1    1    0   -0.0139   -0.1760   -0.0133   -0.1793    0.0034    1
    3    1    0    1   -0.0243    0.0857   -0.0241    0.0824    0.0033    1
    4   -2    3    3   -0.1878   -0.5894   -0.1976   -0.5890    0.0098    1
    5   -1    0    0    0.0565   -0.2255    0.0566   -0.2258    0.0003    1
    6    2    3    3   -0.1034    0.1184   -0.1046    0.1173    0.0016    1
    7   -1    0    1    0.1255   -0.5918    0.1201   -0.5972    0.0076    1
    8   -1   -1    0    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1    6    3   -0.1937    0.0497   -0.1940    0.0483    0.0014    1
   10   -1   -3    0    0.2263   -0.1281    0.2267   -0.1283    0.0004    1
   11   -2   -3    3    0.5341   -0.5984    0.5314   -0.6143    0.0161    1
   12    0    3    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1   -7    0    0.2112   -0.0268    0.1981   -0.0091    0.0220    0
   14   -1   -5    2    0.5983   -0.1281    0.5323   -0.1459    0.0684    0
   15   -1    6    3   -0.3368   -0.2407   -0.3358   -0.2354    0.0054    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -6    3    0.7147   -0.0781    0.7260   -0.0804    0.0116    1
   18   -1   -3    3    1.0337   -0.4846    1.0655   -0.4953    0.0335    1
   19    1   -6    0    0.0109    0.0097    0.0407    0.0272    0.0346    0
   20    0   -3    1    0.4373    0.1606    0.4436    0.1639    0.0071    1
   21   -1    3    0   -0.0349   -0.0591   -0.0357   -0.0605    0.0016    1
   22    1   -6    3    0.2953    0.3239    0.2970    0.3320    0.0082    1
   23    2   -3    3    0.0377    0.2656    0.0342    0.2676    0.0041    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7303   -0.0549   -0.7289   -0.0565    0.0021    1
    2   -1    1    0   -0.0136   -0.1770   -0.0133   -0.1793    0.0023    1
    3    1    0    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -2    3    3   -0.1959   -0.5874   -0.1976   -0.5890    0.0023    1
    5   -1    0    0    0.0571   -0.2265    0.0566   -0.2258    0.0010    1
    6    2    3    3   -0.1042    0.1167   -0.1046    0.1173    0.0007    1
    7   -1    0    1    0.1209   -0.5975    0.1201   -0.5972    0.0008    1
    8   -1   -1    0    0.1451   -0.2226    0.1441   -0.2219    0.0011    1
    9    1    6    3   -0.1924    0.0482   -0.1940    0.0483    0.0017    1
   10   -1   -3    0    0.2270   -0.1280    0.2267   -0.1283    0.0004    1
   11   -2   -3    3    0.5367   -0.6121    0.5314   -0.6143    0.0056    1
   12    0    3    1   -0.1807   -0.0377   -0.1815   -0.0378    0.0009    1
   13   -1   -7    0    0.2112   -0.0268    0.1981   -0.0091    0.0220    0
   14   -1   -6    2    0.5455   -0.0742    0.5323   -0.1459    0.0729    0
   15   -1    6    3   -0.3363   -0.2366   -0.3358   -0.2354    0.0014    1
   16    0   -1    0    0.1254    0.0353    0.1256    0.0356    0.0004    1
   17   -1   -6    3    0.7266   -0.0787    0.7260   -0.0804    0.0017    1
   18   -1   -3    3    1.0583   -0.5056    1.0655   -0.4953    0.0125    1
   19    1   -6    0    0.0108    0.0090    0.0407    0.0272    0.0351    0
   20    0   -3    1    0.4411    0.1641    0.4436    0.1639    0.0025    1
   21   -1    3    0   -0.0350   -0.0599   -0.0357   -0.0605    0.0010    1
   22    1   -6    3    0.2951    0.3298    0.2970    0.3320    0.0029    1
   23    2   -3    3    0.0347    0.2669    0.0342    0.2676    0.0009    1

###            No.152                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5402    1.0490    1.7929   90.1375   90.9554  100.1429      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5449    1.0436    1.7865   90.0821   90.2803  100.1628      0.0000         0.3050    0.5842
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0014    0.0192    0.0385    0.8801    0.7336    0.8318      0.0000         0.0064    0.0129
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.1421   -0.2001   -1.4809)
 a2 = (    0.1184    0.9279   -0.2507)
 a3 = (    0.4490    0.0348    0.3292)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.1147   -0.2023   -1.4807) (    0.0138    0.0211    0.0106)
 a2 = (    0.1200    0.9323   -0.2533) (    0.0114    0.0186    0.0064)
 a3 = (    0.4503    0.0333    0.3308) (    0.0122    0.0066    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -98.7323   53.4667   94.1821    0.7480    0.5657    0.6628
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0027    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.1683         6.9486
# Chi-squares at the beginning and the end of the refinement
    0.1202    0.0178
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    5    2   -0.0127   -0.1795   -0.0133   -0.1793    0.0006    1
    3    1   -5    2   -0.0251    0.0828   -0.0241    0.0824    0.0011    1
    4   -1    3    4   -0.1917   -0.5931   -0.1976   -0.5890    0.0073    1
    5   -1    3    0    0.0602   -0.2284    0.0566   -0.2258    0.0045    1
    6    1   -3    4   -0.1029    0.1133   -0.1046    0.1173    0.0043    1
    7   -1    2    1    0.1304   -0.5976    0.1201   -0.5972    0.0103    1
    8   -1    2   -1    0.1488   -0.2221    0.1441   -0.2219    0.0047    1
    9    1   -1    6   -0.1889    0.0467   -0.1940    0.0483    0.0054    1
   10   -1    1   -2    0.2283   -0.1257    0.2267   -0.1283    0.0031    1
   11   -1    1    0    0.5428   -0.5981    0.5314   -0.6143    0.0197    1
   12    1    0    7   -0.1922   -0.0020   -0.1815   -0.0378    0.0374    0
   13   -1    0   -3    0.1979   -0.0076    0.1981   -0.0091    0.0015    1
   14   -2    1   -3    0.4376   -0.1524    0.5323   -0.1459    0.0950    0
   15    0    1    3   -0.3361   -0.2368   -0.3358   -0.2354    0.0014    1
   16   -1   -1   -4    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    0   -1    0.7161   -0.0744    0.7260   -0.0804    0.0115    1
   18   -2    1    0    0.9097   -0.5579    1.0655   -0.4953    0.1679    0
   19   -1   -3   -6    0.0426    0.0284    0.0407    0.0272    0.0022    1
   20   -1   -1   -2    0.4375    0.1616    0.4436    0.1639    0.0065    1
   21    0    1    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -3   -2    0.2952    0.3270    0.2970    0.3320    0.0053    1
   23    0   -1    0    0.0339    0.2659    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7303   -0.0546   -0.7289   -0.0565    0.0024    1
    2   -1    5    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3    1   -5    2   -0.0251    0.0852   -0.0241    0.0824    0.0030    1
    4   -1    3    4   -0.1959   -0.5876   -0.1976   -0.5890    0.0022    1
    5   -1    3    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -3    4   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -1    2    1    0.1208   -0.5975    0.1201   -0.5972    0.0008    1
    8   -1    2   -1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1   -1    6   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10   -1    1   -2    0.2268   -0.1283    0.2267   -0.1283    0.0001    1
   11   -1    1    0    0.5365   -0.6122    0.5314   -0.6143    0.0054    1
   12    1    0    7   -0.1954   -0.0020   -0.1815   -0.0378    0.0384    0
   13   -1    0   -3    0.1979   -0.0088    0.1981   -0.0091    0.0004    1
   14   -2    1   -3    0.4398   -0.1577    0.5323   -0.1459    0.0932    0
   15    0    1    3   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16   -1   -1   -4    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17   -1    0   -1    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18   -3    1    0    1.0583   -0.5057    1.0655   -0.4953    0.0127    1
   19   -1   -3   -6    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20   -1   -1   -2    0.4411    0.1639    0.4436    0.1639    0.0025    1
   21    0    1    1   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22   -1   -3   -2    0.2950    0.3297    0.2970    0.3320    0.0031    1
   23    0   -1    0    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.154                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5489    1.1037    1.7368   72.0382   87.6482   89.1193      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5507    1.0967    1.7410   72.0086   90.0365   89.9372      0.0000         0.3163    0.6299
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0172    0.0240    1.3822    1.2729    0.8497      0.0000         0.0044    0.0084
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4315    1.7228    0.4134)
 a2 = (   -0.9168   -0.1909   -0.1737)
 a3 = (    0.1122   -0.1354    0.5796)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4306    1.7150    0.4137) (    0.0184    0.0054    0.0131)
 a2 = (   -0.9232   -0.1913   -0.1737) (    0.0168    0.0097    0.0073)
 a3 = (    0.1074   -0.1131    0.5834) (    0.0131    0.0102    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  128.4547   16.9110  -25.5985    1.5347    0.3930    1.4817
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0001    0.0000      0.0033    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.0368         6.6212
# Chi-squares at the beginning and the end of the refinement
    0.3842    0.0190
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7299   -0.0393   -0.7289   -0.0565    0.0172    1
    2    2   -2   -1   -0.0310   -0.1433   -0.0133   -0.1793    0.0402    0
    3   -1    0    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -1    1   -0.1981   -0.5895   -0.1976   -0.5890    0.0007    1
    5    1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1   -1    1   -0.1010    0.1153   -0.1046    0.1173    0.0041    1
    7    1    0    1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8    2    2    1    0.1794   -0.2033    0.1441   -0.2219    0.0400    0
    9   -1   -4    1   -0.1915    0.0498   -0.1940    0.0483    0.0029    1
   10    1    2    1    0.2283   -0.1279    0.2267   -0.1283    0.0017    1
   11    1    1    2    0.5510   -0.6183    0.5314   -0.6143    0.0200    1
   12    0   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    4    2    0.2197   -0.0390    0.1981   -0.0091    0.0369    0
   14    1    3    3    0.5366   -0.1403    0.5323   -0.1459    0.0071    1
   15    1   -4    1   -0.3376   -0.2371   -0.3358   -0.2354    0.0025    1
   16    0    2    1    0.1238    0.0372    0.1256    0.0356    0.0024    1
   17    1    4    5    0.7351   -0.0586    0.7260   -0.0804    0.0235    1
   18    1    2    4    1.0999   -0.4841    1.0655   -0.4953    0.0362    1
   19   -2    4    3    0.0196    0.0366    0.0407    0.0272    0.0231    0
   20    0    1    1    0.4333    0.1757    0.4436    0.1639    0.0157    1
   21    1   -2   -1   -0.0350   -0.0607   -0.0357   -0.0605    0.0007    1
   22   -1    4    5    0.2790    0.3300    0.2970    0.3320    0.0181    1
   23   -1    1    2    0.0308    0.2583    0.0342    0.2676    0.0100    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    1   -0.7306   -0.0556   -0.7289   -0.0565    0.0019    1
    2    2   -2   -1   -0.0322   -0.1436   -0.0133   -0.1793    0.0404    0
    3   -1    0    1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -1    1   -0.1965   -0.5873   -0.1976   -0.5890    0.0020    1
    5    1    0    0    0.0569   -0.2270    0.0566   -0.2258    0.0013    1
    6   -1   -1    1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    1    0    1    0.1206   -0.5982    0.1201   -0.5972    0.0012    1
    8    2    2    1    0.1798   -0.2031    0.1441   -0.2219    0.0404    0
    9   -1   -4    1   -0.1923    0.0482   -0.1940    0.0483    0.0017    1
   10    1    2    1    0.2275   -0.1280    0.2267   -0.1283    0.0008    1
   11    1    1    2    0.5375   -0.6124    0.5314   -0.6143    0.0063    1
   12    0   -1    0   -0.1805   -0.0375   -0.1815   -0.0378    0.0011    1
   13    1    4    2    0.2190   -0.0407    0.1981   -0.0091    0.0378    0
   14    1    3    3    0.5296   -0.1477    0.5323   -0.1459    0.0032    1
   15    1   -4    1   -0.3363   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    2    1    0.1254    0.0356    0.1256    0.0356    0.0002    1
   17    1    4    5    0.7265   -0.0780    0.7260   -0.0804    0.0024    1
   18    1    2    4    1.0587   -0.5044    1.0655   -0.4953    0.0114    1
   19   -2    4    3    0.0212    0.0384    0.0407    0.0272    0.0225    0
   20    0    1    1    0.4407    0.1643    0.4436    0.1639    0.0029    1
   21    1   -2   -1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22   -1    4    5    0.2950    0.3296    0.2970    0.3320    0.0031    1
   23   -1    1    2    0.0347    0.2670    0.0342    0.2676    0.0008    1

###            No.155                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5490    1.1003    1.7438  108.2977   90.3968   90.0927      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5507    1.0967    1.7477  108.6524   90.0757   89.9372      0.0000         0.3151    0.6275
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0172    0.0308    1.3275    1.2211    0.8497      0.0000         0.0056    0.0093
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4348    1.7198    0.4148)
 a2 = (   -0.8118   -0.2999    0.4092)
 a3 = (    0.1106   -0.1079    0.5839)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4306    1.7150    0.4137) (    0.0184    0.0054    0.0131)
 a2 = (   -0.8159   -0.3044    0.4097) (    0.0147    0.0092    0.0086)
 a3 = (    0.1074   -0.1131    0.5834) (    0.0131    0.0102    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   28.1410   28.8799   78.9994    0.9205    0.3555    1.0125
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0001    0.0000      0.0033    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.2789         6.6212
# Chi-squares at the beginning and the end of the refinement
    0.0550    0.0190
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    2   -0.7296   -0.0594   -0.7289   -0.0565    0.0030    1
    2    2   -2    1   -0.0317   -0.1444   -0.0133   -0.1793    0.0395    0
    3   -1    0    1   -0.0254    0.0850   -0.0241    0.0824    0.0029    1
    4    1   -1    2   -0.1943   -0.5860   -0.1976   -0.5890    0.0044    1
    5    1    0    0    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -1   -1    2   -0.1045    0.1165   -0.1046    0.1173    0.0008    1
    7    1    0    1    0.1198   -0.5955    0.1201   -0.5972    0.0017    1
    8    2    2   -1    0.1791   -0.2028    0.1441   -0.2219    0.0399    0
    9   -1   -4    5   -0.1929    0.0483   -0.1940    0.0483    0.0012    1
   10    1    2   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1    1    0.5310   -0.6133    0.5314   -0.6143    0.0011    1
   12    0   -1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    4   -2    0.2187   -0.0412    0.1981   -0.0091    0.0381    0
   14    1    3    0    0.5290   -0.1512    0.5323   -0.1459    0.0062    1
   15    1   -4    5   -0.3363   -0.2378   -0.3358   -0.2354    0.0024    1
   16    0    2   -1    0.1252    0.0355    0.1256    0.0356    0.0004    1
   17    1    4    1    0.7283   -0.0841    0.7260   -0.0804    0.0044    1
   18    1    2    2    1.0520   -0.5178    1.0655   -0.4953    0.0263    1
   19   -2    4   -1    0.0208    0.0379    0.0407    0.0272    0.0226    0
   20    0    1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -2    1   -0.0356   -0.0606   -0.0357   -0.0605    0.0001    1
   22   -1    4    1    0.2964    0.3321    0.2970    0.3320    0.0006    1
   23   -1    1    1    0.0335    0.2677    0.0342    0.2676    0.0006    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    2   -0.7306   -0.0556   -0.7289   -0.0565    0.0019    1
    2    2   -2    1   -0.0322   -0.1436   -0.0133   -0.1793    0.0404    0
    3   -1    0    1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4    1   -1    2   -0.1965   -0.5873   -0.1976   -0.5890    0.0020    1
    5    1    0    0    0.0569   -0.2270    0.0566   -0.2258    0.0013    1
    6   -1   -1    2   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7    1    0    1    0.1206   -0.5982    0.1201   -0.5972    0.0012    1
    8    2    2   -1    0.1798   -0.2031    0.1441   -0.2219    0.0404    0
    9   -1   -4    5   -0.1923    0.0482   -0.1940    0.0483    0.0017    1
   10    1    2   -1    0.2275   -0.1280    0.2267   -0.1283    0.0008    1
   11    1    1    1    0.5375   -0.6124    0.5314   -0.6143    0.0063    1
   12    0   -1    1   -0.1805   -0.0375   -0.1815   -0.0378    0.0011    1
   13    1    4   -2    0.2190   -0.0407    0.1981   -0.0091    0.0378    0
   14    1    3    0    0.5296   -0.1477    0.5323   -0.1459    0.0032    1
   15    1   -4    5   -0.3363   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    2   -1    0.1254    0.0356    0.1256    0.0356    0.0002    1
   17    1    4    1    0.7265   -0.0780    0.7260   -0.0804    0.0024    1
   18    1    2    2    1.0587   -0.5044    1.0655   -0.4953    0.0114    1
   19   -2    4   -1    0.0212    0.0384    0.0407    0.0272    0.0225    0
   20    0    1    0    0.4407    0.1643    0.4436    0.1639    0.0029    1
   21    1   -2    1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22   -1    4    1    0.2950    0.3296    0.2970    0.3320    0.0031    1
   23   -1    1    1    0.0347    0.2670    0.0342    0.2676    0.0008    1

###            No.157                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5509    1.0955    1.7412  107.7543   91.8253   90.8431      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5507    1.0967    1.7410  107.9914   89.9635   89.9372      0.0000         0.3163    0.6299
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0172    0.0240    1.3822    1.2729    0.8497      0.0000         0.0044    0.0084
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4299   -1.7163   -0.4118)
 a2 = (    0.9296    0.1671    0.1652)
 a3 = (    0.1118   -0.1349    0.5775)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4306   -1.7150   -0.4137) (    0.0184    0.0054    0.0131)
 a2 = (    0.9232    0.1913    0.1737) (    0.0168    0.0097    0.0073)
 a3 = (    0.1074   -0.1131    0.5834) (    0.0131    0.0102    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -51.5453   16.9110  -25.5985    1.5347    0.3930    1.4817
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0001    0.0000      0.0033    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.1790         6.6212
# Chi-squares at the beginning and the end of the refinement
    0.2267    0.0190
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7125   -0.0220   -0.7289   -0.0565    0.0382    0
    2   -2    2   -1   -0.0320   -0.1405   -0.0133   -0.1793    0.0431    0
    3    1    0    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    1    1   -0.2057   -0.5883   -0.1976   -0.5890    0.0082    1
    5   -1    0    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    1    1   -0.0973    0.1114   -0.1046    0.1173    0.0093    1
    7   -1    0    1    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8   -2   -2    1    0.1792   -0.2037    0.1441   -0.2219    0.0396    0
    9    1    4    1   -0.1802    0.0500   -0.1940    0.0483    0.0140    1
   10   -1   -2    1    0.2278   -0.1305    0.2267   -0.1283    0.0025    1
   11   -1   -1    2    0.5439   -0.6126    0.5314   -0.6143    0.0126    1
   12    0    1    0   -0.1722   -0.0310   -0.1815   -0.0378    0.0116    1
   13   -1   -4    2    0.2221   -0.0440    0.1981   -0.0091    0.0423    0
   14   -1   -3    3    0.5299   -0.1489    0.5323   -0.1459    0.0038    1
   15   -1    4    1   -0.3375   -0.2234   -0.3358   -0.2354    0.0122    1
   16    0   -2    1    0.1318    0.0354    0.1256    0.0356    0.0062    1
   17   -1   -4    5    0.7272   -0.0756    0.7260   -0.0804    0.0049    1
   18   -1   -2    4    1.0737   -0.4911    1.0655   -0.4953    0.0092    1
   19    2   -4    3    0.0234    0.0419    0.0407    0.0272    0.0226    0
   20    0   -1    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1    2   -1   -0.0334   -0.0553   -0.0357   -0.0605    0.0057    1
   22    1   -4    5    0.2946    0.3303    0.2970    0.3320    0.0029    1
   23    1   -1    2    0.0338    0.2640    0.0342    0.2676    0.0036    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7306   -0.0556   -0.7289   -0.0565    0.0019    1
    2   -2    2   -1   -0.0322   -0.1436   -0.0133   -0.1793    0.0404    0
    3    1    0    1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1    1    1   -0.1965   -0.5873   -0.1976   -0.5890    0.0020    1
    5   -1    0    0    0.0569   -0.2270    0.0566   -0.2258    0.0013    1
    6    1    1    1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -1    0    1    0.1206   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2   -2    1    0.1798   -0.2031    0.1441   -0.2219    0.0404    0
    9    1    4    1   -0.1923    0.0482   -0.1940    0.0483    0.0017    1
   10   -1   -2    1    0.2275   -0.1280    0.2267   -0.1283    0.0008    1
   11   -1   -1    2    0.5375   -0.6124    0.5314   -0.6143    0.0063    1
   12    0    1    0   -0.1805   -0.0375   -0.1815   -0.0378    0.0011    1
   13   -1   -4    2    0.2190   -0.0407    0.1981   -0.0091    0.0378    0
   14   -1   -3    3    0.5296   -0.1477    0.5323   -0.1459    0.0032    1
   15   -1    4    1   -0.3363   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0   -2    1    0.1254    0.0356    0.1256    0.0356    0.0002    1
   17   -1   -4    5    0.7265   -0.0780    0.7260   -0.0804    0.0024    1
   18   -1   -2    4    1.0587   -0.5044    1.0655   -0.4953    0.0114    1
   19    2   -4    3    0.0212    0.0384    0.0407    0.0272    0.0225    0
   20    0   -1    1    0.4407    0.1643    0.4436    0.1639    0.0029    1
   21   -1    2   -1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22    1   -4    5    0.2950    0.3296    0.2970    0.3320    0.0031    1
   23    1   -1    2    0.0347    0.2670    0.0342    0.2676    0.0008    1

###            No.158                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5455    1.1042    1.7362  106.9873   90.5264   90.4000      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5507    1.0967    1.7410  107.9914   90.0365   90.0628      0.0000         0.3163    0.6299
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0172    0.0240    1.3822    1.2729    0.8497      0.0000         0.0044    0.0084
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.4217   -1.7336   -0.4227)
 a2 = (   -0.9116   -0.1898   -0.1727)
 a3 = (   -0.0955    0.1117   -0.5841)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.4306   -1.7150   -0.4137) (    0.0184    0.0054    0.0131)
 a2 = (   -0.9232   -0.1913   -0.1737) (    0.0168    0.0097    0.0073)
 a3 = (   -0.1074    0.1131   -0.5834) (    0.0131    0.0102    0.0085)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -128.4547  163.0890  154.4015    1.5347    0.3930    1.4817
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0001    0.0000      0.0033    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.0058         6.6212
# Chi-squares at the beginning and the end of the refinement
    0.1224    0.0190
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7469   -0.0579   -0.7289   -0.0565    0.0181    1
    2   -2   -2    1   -0.0326   -0.1460   -0.0133   -0.1793    0.0386    0
    3    1    0   -1   -0.0227    0.0811   -0.0241    0.0824    0.0019    1
    4   -1   -1   -1   -0.1905   -0.5895   -0.1976   -0.5890    0.0072    1
    5   -1    0    0    0.0560   -0.2302    0.0566   -0.2258    0.0044    1
    6    1   -1   -1   -0.0998    0.1157   -0.1046    0.1173    0.0051    1
    7   -1    0   -1    0.1200   -0.5966    0.1201   -0.5972    0.0006    1
    8   -2    2   -1    0.1802   -0.2086    0.1441   -0.2219    0.0385    0
    9    1   -4   -1   -0.1916    0.0500   -0.1940    0.0483    0.0030    1
   10   -1    2   -1    0.2307   -0.1333    0.2267   -0.1283    0.0064    1
   11   -1    1   -2    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    0   -1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1    4   -2    0.2238   -0.0433    0.1981   -0.0091    0.0428    0
   14   -1    3   -3    0.5328   -0.1539    0.5323   -0.1459    0.0080    1
   15   -1   -4   -1   -0.3376   -0.2421   -0.3358   -0.2354    0.0070    1
   16    0    2   -1    0.1278    0.0363    0.1256    0.0356    0.0024    1
   17   -1    4   -5    0.7289   -0.0844    0.7260   -0.0804    0.0050    1
   18   -1    2   -4    1.0472   -0.5100    1.0655   -0.4953    0.0234    1
   19    2    4   -3    0.0200    0.0363    0.0407    0.0272    0.0226    0
   20    0    1   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -2    1   -0.0361   -0.0615   -0.0357   -0.0605    0.0010    1
   22    1    4   -5    0.2945    0.3271    0.2970    0.3320    0.0055    1
   23    1    1   -2    0.0365    0.2617    0.0342    0.2676    0.0063    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1   -1   -0.7306   -0.0556   -0.7289   -0.0565    0.0019    1
    2   -2   -2    1   -0.0322   -0.1436   -0.0133   -0.1793    0.0404    0
    3    1    0   -1   -0.0252    0.0853   -0.0241    0.0824    0.0031    1
    4   -1   -1   -1   -0.1965   -0.5873   -0.1976   -0.5890    0.0020    1
    5   -1    0    0    0.0569   -0.2270    0.0566   -0.2258    0.0013    1
    6    1   -1   -1   -0.1043    0.1166   -0.1046    0.1173    0.0007    1
    7   -1    0   -1    0.1206   -0.5982    0.1201   -0.5972    0.0012    1
    8   -2    2   -1    0.1798   -0.2031    0.1441   -0.2219    0.0404    0
    9    1   -4   -1   -0.1923    0.0482   -0.1940    0.0483    0.0017    1
   10   -1    2   -1    0.2275   -0.1280    0.2267   -0.1283    0.0008    1
   11   -1    1   -2    0.5375   -0.6124    0.5314   -0.6143    0.0063    1
   12    0   -1    0   -0.1805   -0.0375   -0.1815   -0.0378    0.0011    1
   13   -1    4   -2    0.2190   -0.0407    0.1981   -0.0091    0.0378    0
   14   -1    3   -3    0.5296   -0.1477    0.5323   -0.1459    0.0032    1
   15   -1   -4   -1   -0.3363   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0    2   -1    0.1254    0.0356    0.1256    0.0356    0.0002    1
   17   -1    4   -5    0.7265   -0.0780    0.7260   -0.0804    0.0024    1
   18   -1    2   -4    1.0587   -0.5044    1.0655   -0.4953    0.0114    1
   19    2    4   -3    0.0212    0.0384    0.0407    0.0272    0.0225    0
   20    0    1   -1    0.4407    0.1643    0.4436    0.1639    0.0029    1
   21   -1   -2    1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22    1    4   -5    0.2950    0.3296    0.2970    0.3320    0.0031    1
   23    1    1   -2    0.0347    0.2670    0.0342    0.2676    0.0008    1

###            No.159                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0366    1.0496    1.0967   99.8918  100.6167  116.9520      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0468    1.0448    1.0904   99.9852  100.1628  117.1203      0.0000         0.9600    0.9581
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0112    0.0181    0.0235    1.1244    1.0643    1.0771      0.0000         0.0185    0.0152
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.6274   -0.3724    0.8681)
 a2 = (   -0.9434    0.5309    0.2769)
 a3 = (   -0.7332   -0.5140   -0.3723)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.6137   -0.3621    0.8667) (    0.0131    0.0154    0.0090)
 a2 = (   -0.9471    0.5344    0.2826) (    0.0155    0.0119    0.0060)
 a3 = (   -0.7369   -0.5171   -0.3705) (    0.0179    0.0120    0.0091)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  101.5152  127.9697  -41.1363    0.9624    0.8056    0.7696
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2086         6.5412
# Chi-squares at the beginning and the end of the refinement
    0.1215    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -2   -0.7458   -0.0522   -0.7289   -0.0565    0.0174    1
    2   -1    2   -2   -0.0146   -0.1735   -0.0133   -0.1793    0.0059    1
    3    3   -5    2   -0.0261    0.0916   -0.0241    0.0824    0.0094    1
    4    0    1   -2   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1    3   -2    0.0548   -0.2228    0.0566   -0.2258    0.0034    1
    6    1   -2    0   -0.1087    0.1237   -0.1046    0.1173    0.0076    1
    7    0    1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -1    5   -2    0.1418   -0.2192    0.1441   -0.2219    0.0035    1
    9    1   -3   -2   -0.2001    0.0511   -0.1940    0.0483    0.0066    1
   10    0    1    0    0.2229   -0.1254    0.2267   -0.1283    0.0048    1
   11    1    3   -2    0.5394   -0.6091    0.5314   -0.6143    0.0095    1
   12    0   -1   -2   -0.1862   -0.0384   -0.1815   -0.0378    0.0047    1
   13    1    3    2    0.1935   -0.0075    0.1981   -0.0091    0.0049    1
   14    1    2    0    0.5260   -0.1442    0.5323   -0.1459    0.0065    1
   15    0    0   -1   -0.3405   -0.2387   -0.3358   -0.2354    0.0057    1
   16    1    1    2    0.1218    0.0349    0.1256    0.0356    0.0038    1
   17    1    1    0    0.7216   -0.0728    0.7260   -0.0804    0.0088    1
   18    2    2   -1    0.9879   -0.3408    1.0655   -0.4953    0.1728    0
   19    1    0    2    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    3    1    2    0.4361    0.1640    0.4436    0.1639    0.0075    1
   21   -1    1   -2   -0.0349   -0.0586   -0.0357   -0.0605    0.0020    1
   22    3   -1    2    0.2940    0.3272    0.2970    0.3320    0.0057    1
   23    3   -3    2    0.0375    0.2701    0.0342    0.2676    0.0041    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -2   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -1    2   -2   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    3   -5    2   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0    1   -2   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5   -1    3   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -2    0   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    0    1   -1    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8   -1    5   -2    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    1   -3   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    0    1    0    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    1    3   -2    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    0   -1   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    1    3    2    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    1    2    0    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    0    0   -1   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1    1    2    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1    1    0    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    2    2   -1    0.9904   -0.3581    1.0655   -0.4953    0.1564    0
   19    1    0    2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    3    1    2    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21   -1    1   -2   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    3   -1    2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    3   -3    2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.160                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8546    0.9959    1.3553   82.9871   71.8261   65.8470      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8554    1.0047    1.3517   82.5137   71.6848   65.0623      0.0000         0.6329    0.7433
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0067    0.0153    0.0184    1.1487    0.7708    1.0596      0.0000         0.0093    0.0117
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3623   -1.0798   -0.7052)
 a2 = (    0.1858   -0.2189    1.0624)
 a3 = (   -0.6540    0.3702    0.1958)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3628   -1.0859   -0.7087) (    0.0139    0.0063    0.0077)
 a2 = (    0.1964   -0.2069    1.0599) (    0.0207    0.0180    0.0127)
 a3 = (   -0.6571    0.3703    0.1961) (    0.0102    0.0066    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -32.5971   77.6810 -100.7079    0.4033    1.0390    0.5787
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.4765         5.9961
# Chi-squares at the beginning and the end of the refinement
    0.0732    0.0168
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -2   -0.7383   -0.0479   -0.7289   -0.0565    0.0127    1
    2   -4   -2    1   -0.0143   -0.1727   -0.0133   -0.1793    0.0067    1
    3    1    1   -1   -0.0256    0.0894   -0.0241    0.0824    0.0072    1
    4   -1    0    0   -0.1969   -0.5870   -0.1976   -0.5890    0.0021    1
    5   -2   -1    2    0.0551   -0.2235    0.0566   -0.2258    0.0027    1
    6    1    2   -4   -0.1052    0.1202   -0.1046    0.1173    0.0030    1
    7   -1    0    1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -2   -1    5    0.1429   -0.2214    0.1441   -0.2219    0.0013    1
    9   -1    1   -5   -0.1936    0.0502   -0.1940    0.0483    0.0019    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1    4    0.5404   -0.6120    0.5314   -0.6143    0.0092    1
   12   -1    0   -2   -0.1803   -0.0366   -0.1815   -0.0378    0.0017    1
   13    2    1    7    0.1995   -0.0083    0.1981   -0.0091    0.0016    1
   14    1    2    6    0.6420   -0.1154    0.5323   -0.1459    0.1138    0
   15   -1    0   -1   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16    2    1    4    0.1276    0.0363    0.1256    0.0356    0.0021    1
   17    1    2    5    0.7280   -0.0745    0.7260   -0.0804    0.0062    1
   18    0    1    2    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19    4    2    5    0.0450    0.0301    0.0407    0.0272    0.0051    1
   20    1    1    2    0.4419    0.1662    0.4436    0.1639    0.0029    1
   21   -2   -1   -1   -0.0333   -0.0560   -0.0357   -0.0605    0.0051    1
   22    1    1    1    0.2960    0.3309    0.2970    0.3320    0.0015    1
   23    1    1    0    0.0367    0.2701    0.0342    0.2676    0.0035    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -2   -0.7305   -0.0545   -0.7289   -0.0565    0.0025    1
    2   -4   -2    1   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3    1    1   -1   -0.0251    0.0852   -0.0241    0.0824    0.0030    1
    4   -1    0    0   -0.1960   -0.5877   -0.1976   -0.5890    0.0021    1
    5   -2   -1    2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1    2   -4   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -1    0    1    0.1208   -0.5976    0.1201   -0.5972    0.0008    1
    8   -2   -1    5    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -1    1   -5   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2268   -0.1282    0.2267   -0.1283    0.0001    1
   11   -1    1    4    0.5365   -0.6122    0.5314   -0.6143    0.0054    1
   12   -1    0   -2   -0.1808   -0.0378   -0.1815   -0.0378    0.0008    1
   13    2    1    6    0.1832    0.0059    0.1981   -0.0091    0.0211    0
   14    1    2    6    0.6399   -0.1186    0.5323   -0.1459    0.1110    0
   15   -1    0   -1   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16    2    1    4    0.1254    0.0350    0.1256    0.0356    0.0007    1
   17    1    2    5    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18    0    1    2    1.0583   -0.5057    1.0655   -0.4953    0.0127    1
   19    3    1    6    0.0217    0.0050    0.0407    0.0272    0.0293    0
   20    1    1    2    0.4411    0.1639    0.4436    0.1639    0.0025    1
   21   -2   -1   -1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    1    1    1    0.2950    0.3297    0.2970    0.3320    0.0031    1
   23    1    1    0    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.161                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8572    1.0033    1.3537   82.1295   71.5720   64.8759      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8554    1.0082    1.3517   82.1382   71.6848   64.6414      0.0000         0.6329    0.7459
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0075    0.0200    0.0252    1.1781    0.7708    0.9286      0.0000         0.0093    0.0093
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1644    1.2881   -0.3517)
 a2 = (    0.2001   -0.2017    1.0636)
 a3 = (    0.6557   -0.3712   -0.1963)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1664    1.2927   -0.3513) (    0.0163    0.0032    0.0092)
 a2 = (    0.1964   -0.2069    1.0599) (    0.0216    0.0153    0.0176)
 a3 = (    0.6571   -0.3703   -0.1961) (    0.0134    0.0066    0.0054)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -15.4463  102.3190   79.2921    0.4199    1.0390    0.5787
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         7.4214         5.9961
# Chi-squares at the beginning and the end of the refinement
    0.0320    0.0168
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2    2   -0.7330   -0.0556   -0.7289   -0.0565    0.0041    1
    2    4    2   -1   -0.0140   -0.1779   -0.0133   -0.1793    0.0015    1
    3   -1    0    1   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4    1    1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    2    1   -2    0.0570   -0.2272    0.0566   -0.2258    0.0015    1
    6   -1    1    4   -0.1053    0.1178   -0.1046    0.1173    0.0008    1
    7    1    1   -1    0.1197   -0.5992    0.1201   -0.5972    0.0020    1
    8    2    1   -5    0.1449   -0.2230    0.1441   -0.2219    0.0013    1
    9    1    2    5   -0.1942    0.0491   -0.1940    0.0483    0.0008    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    2   -4    0.5350   -0.6160    0.5314   -0.6143    0.0039    1
   12    1    1    2   -0.1829   -0.0375   -0.1815   -0.0378    0.0013    1
   13   -2   -1   -7    0.1977   -0.0086    0.1981   -0.0091    0.0007    1
   14   -1    1   -6    0.6421   -0.1215    0.5323   -0.1459    0.1125    0
   15    1    1    1   -0.3389   -0.2376   -0.3358   -0.2354    0.0038    1
   16   -2   -1   -4    0.1249    0.0352    0.1256    0.0356    0.0008    1
   17   -1    1   -5    0.7298   -0.0824    0.7260   -0.0804    0.0043    1
   18    0    1   -2    1.0595   -0.5156    1.0655   -0.4953    0.0212    1
   19   -4   -2   -5    0.0416    0.0278    0.0407    0.0272    0.0011    1
   20   -1    0   -2    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21    2    1    1   -0.0359   -0.0606   -0.0357   -0.0605    0.0002    1
   22   -1    0   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    0    0    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2    2   -0.7305   -0.0545   -0.7289   -0.0565    0.0025    1
    2    4    2   -1   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3   -1    0    1   -0.0251    0.0852   -0.0241    0.0824    0.0030    1
    4    1    1    0   -0.1960   -0.5877   -0.1976   -0.5890    0.0021    1
    5    2    1   -2    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    1    4   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7    1    1   -1    0.1208   -0.5976    0.1201   -0.5972    0.0008    1
    8    2    1   -5    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1    2    5   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2268   -0.1282    0.2267   -0.1283    0.0001    1
   11    1    2   -4    0.5365   -0.6122    0.5314   -0.6143    0.0054    1
   12    1    1    2   -0.1808   -0.0378   -0.1815   -0.0378    0.0008    1
   13   -2   -1   -6    0.1832    0.0059    0.1981   -0.0091    0.0211    0
   14   -1    1   -6    0.6399   -0.1186    0.5323   -0.1459    0.1110    0
   15    1    1    1   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16   -2   -1   -4    0.1254    0.0350    0.1256    0.0356    0.0007    1
   17   -1    1   -5    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18    0    1   -2    1.0583   -0.5057    1.0655   -0.4953    0.0127    1
   19   -3   -2   -6    0.0217    0.0050    0.0407    0.0272    0.0293    0
   20   -1    0   -2    0.4411    0.1639    0.4436    0.1639    0.0025    1
   21    2    1    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -1    0   -1    0.2950    0.3297    0.2970    0.3320    0.0031    1
   23   -1    0    0    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.162                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8554    0.9941    1.3586   82.9982   71.7448   65.7118      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8554    1.0082    1.3535   82.2950   71.4473   64.6414      0.0000         0.6320    0.7449
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0066    0.0183    0.0194    1.0930    0.8751    0.9286      0.0000         0.0080    0.0105
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8164   -0.9127    0.5455)
 a2 = (   -0.2042    0.1857   -1.0686)
 a3 = (    0.6527   -0.3695   -0.1954)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8235   -0.9225    0.5474) (    0.0121    0.0118    0.0087)
 a2 = (   -0.1964    0.2069   -1.0599) (    0.0220    0.0161    0.0147)
 a3 = (    0.6571   -0.3703   -0.1961) (    0.0113    0.0077    0.0048)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  155.2176  105.0557   41.4067    0.4141    0.9453    0.5833
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.2159         5.9961
# Chi-squares at the beginning and the end of the refinement
    0.1446    0.0168
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -2    1   -0.7375   -0.0675   -0.7289   -0.0565    0.0139    1
    2   -4   -2   -5   -0.0145   -0.1807   -0.0133   -0.1793    0.0018    1
    3    1    0    2   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4   -1   -1   -1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -2   -1   -4    0.0569   -0.2294    0.0566   -0.2258    0.0036    1
    6    1   -1    5   -0.1075    0.1195   -0.1046    0.1173    0.0036    1
    7   -1   -1   -2    0.1167   -0.6007    0.1201   -0.5972    0.0049    1
    8   -2   -1   -7    0.1451   -0.2245    0.1441   -0.2219    0.0028    1
    9   -1   -2    4   -0.1993    0.0487   -0.1940    0.0483    0.0053    1
   10    0    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2   -5    0.5310   -0.6221    0.5314   -0.6143    0.0079    1
   12   -1   -1    1   -0.1873   -0.0400   -0.1815   -0.0378    0.0062    1
   13    2    1   -5    0.1956   -0.0080    0.1981   -0.0091    0.0028    1
   14    1   -1   -5    0.6444   -0.1246    0.5323   -0.1459    0.1142    0
   15   -1   -1    0   -0.3400   -0.2422   -0.3358   -0.2354    0.0080    1
   16    2    1   -2    0.1215    0.0348    0.1256    0.0356    0.0042    1
   17    1   -1   -4    0.7331   -0.0864    0.7260   -0.0804    0.0093    1
   18    0   -1   -2    1.0581   -0.5317    1.0655   -0.4953    0.0371    1
   19    4    2   -1    0.0382    0.0257    0.0407    0.0272    0.0030    1
   20    1    0   -1    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21   -2   -1   -1   -0.0377   -0.0639   -0.0357   -0.0605    0.0039    1
   22    1    0    0    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1    0    1    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -2    1   -0.7305   -0.0545   -0.7289   -0.0565    0.0025    1
    2   -4   -2   -5   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3    1    0    2   -0.0251    0.0852   -0.0241    0.0824    0.0030    1
    4   -1   -1   -1   -0.1960   -0.5877   -0.1976   -0.5890    0.0021    1
    5   -2   -1   -4    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6    1   -1    5   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -1   -1   -2    0.1208   -0.5976    0.1201   -0.5972    0.0008    1
    8   -2   -1   -7    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -1   -2    4   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0   -1    0.2268   -0.1282    0.2267   -0.1283    0.0001    1
   11   -1   -2   -5    0.5365   -0.6122    0.5314   -0.6143    0.0054    1
   12   -1   -1    1   -0.1808   -0.0378   -0.1815   -0.0378    0.0008    1
   13    2    1   -4    0.1832    0.0059    0.1981   -0.0091    0.0211    0
   14    1   -1   -5    0.6399   -0.1186    0.5323   -0.1459    0.1110    0
   15   -1   -1    0   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16    2    1   -2    0.1254    0.0350    0.1256    0.0356    0.0007    1
   17    1   -1   -4    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18    0   -1   -2    1.0583   -0.5057    1.0655   -0.4953    0.0127    1
   19    3    2   -3    0.0217    0.0050    0.0407    0.0272    0.0293    0
   20    1    0   -1    0.4411    0.1639    0.4436    0.1639    0.0025    1
   21   -2   -1   -1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22    1    0    0    0.2950    0.3297    0.2970    0.3320    0.0031    1
   23    1    0    1    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.164                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8554    0.9987    1.3549   82.6369   71.6282   65.5569      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8554    1.0047    1.3535   82.1629   71.4473   65.0623      0.0000         0.6320    0.7423
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0096    0.0173    0.0196    1.1034    0.8751    1.0596      0.0000         0.0080    0.0102
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0177    0.7106    0.5101)
 a2 = (   -0.1969    0.2187   -1.0598)
 a3 = (   -0.6549    0.3708    0.1960)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0199    0.7156    0.5125) (    0.0087    0.0114    0.0080)
 a2 = (   -0.1964    0.2069   -1.0599) (    0.0196    0.0181    0.0142)
 a3 = (   -0.6571    0.3703    0.1961) (    0.0084    0.0087    0.0056)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  156.7983   74.9443 -138.5933    0.3776    0.9453    0.5833
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.8013         5.9961
# Chi-squares at the beginning and the end of the refinement
    0.0485    0.0168
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7318   -0.0474   -0.7289   -0.0565    0.0095    1
    2    4    2    5   -0.0137   -0.1745   -0.0133   -0.1793    0.0049    1
    3   -1   -1   -2   -0.0254    0.0869   -0.0241    0.0824    0.0047    1
    4    1    0    1   -0.1969   -0.5870   -0.1976   -0.5890    0.0021    1
    5    2    1    4    0.0561   -0.2244    0.0566   -0.2258    0.0014    1
    6   -1   -2   -5   -0.1040    0.1178   -0.1046    0.1173    0.0008    1
    7    1    0    2    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    2    1    7    0.1436   -0.2216    0.1441   -0.2219    0.0006    1
    9    1   -1   -4   -0.1921    0.0497   -0.1940    0.0483    0.0024    1
   10    0    0    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1   -1    5    0.5390   -0.6138    0.5314   -0.6143    0.0076    1
   12    1    0   -1   -0.1803   -0.0366   -0.1815   -0.0378    0.0017    1
   13   -2   -1    5    0.1991   -0.0083    0.1981   -0.0091    0.0012    1
   14   -1   -2    5    0.6432   -0.1164    0.5323   -0.1459    0.1148    0
   15    1    0    0   -0.3370   -0.2353   -0.3358   -0.2354    0.0012    1
   16   -2   -1    2    0.1268    0.0362    0.1256    0.0356    0.0013    1
   17   -1   -2    4    0.7302   -0.0754    0.7260   -0.0804    0.0065    1
   18    0   -1    2    1.0687   -0.5021    1.0655   -0.4953    0.0075    1
   19   -4   -2    1    0.0438    0.0294    0.0407    0.0272    0.0037    1
   20   -1   -1    1    0.4420    0.1673    0.4436    0.1639    0.0038    1
   21    2    1    1   -0.0340   -0.0578   -0.0357   -0.0605    0.0032    1
   22   -1   -1    0    0.2935    0.3323    0.2970    0.3320    0.0035    1
   23   -1   -1   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -1   -0.7305   -0.0545   -0.7289   -0.0565    0.0025    1
    2    4    2    5   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3   -1   -1   -2   -0.0251    0.0852   -0.0241    0.0824    0.0030    1
    4    1    0    1   -0.1960   -0.5877   -0.1976   -0.5890    0.0021    1
    5    2    1    4    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1   -2   -5   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7    1    0    2    0.1208   -0.5976    0.1201   -0.5972    0.0008    1
    8    2    1    7    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1   -1   -4   -0.1924    0.0482   -0.1940    0.0483    0.0016    1
   10    0    0    1    0.2268   -0.1282    0.2267   -0.1283    0.0001    1
   11    1   -1    5    0.5365   -0.6122    0.5314   -0.6143    0.0054    1
   12    1    0   -1   -0.1808   -0.0378   -0.1815   -0.0378    0.0008    1
   13   -2   -1    4    0.1832    0.0059    0.1981   -0.0091    0.0211    0
   14   -1   -2    5    0.6399   -0.1186    0.5323   -0.1459    0.1110    0
   15    1    0    0   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16   -2   -1    2    0.1254    0.0350    0.1256    0.0356    0.0007    1
   17   -1   -2    4    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18    0   -1    2    1.0583   -0.5057    1.0655   -0.4953    0.0127    1
   19   -3   -1    3    0.0217    0.0050    0.0407    0.0272    0.0293    0
   20   -1   -1    1    0.4411    0.1639    0.4436    0.1639    0.0025    1
   21    2    1    1   -0.0350   -0.0601   -0.0357   -0.0605    0.0008    1
   22   -1   -1    0    0.2950    0.3297    0.2970    0.3320    0.0031    1
   23   -1   -1   -1    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.166                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7977    1.0729    1.2507  105.0277  100.0002   97.6726      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7985    1.0731    1.2487  104.7532  100.2963   97.6132      0.0000         0.6394    0.8594
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0039    0.0201    0.0268    0.9796    1.0314    1.3935      0.0000         0.0124    0.0117
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0226    0.9413   -0.8905)
 a2 = (   -0.8274    0.4684    0.2477)
 a3 = (    0.2292    0.6831    0.4476)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0207    0.9440   -0.8874) (    0.0256    0.0116    0.0123)
 a2 = (   -0.8278    0.4652    0.2462) (    0.0165    0.0086    0.0086)
 a3 = (    0.2303    0.6841    0.4475) (    0.0101    0.0131    0.0100)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -60.5987   51.8210  138.9040    0.9448    0.7217    0.8453
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0007   -0.0005    0.0000      0.0032    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.4822         5.9454
# Chi-squares at the beginning and the end of the refinement
    0.0912    0.0669
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -2    3   -0.7311   -0.0529   -0.7289   -0.0565    0.0042    1
    2    1    1    3    0.0095   -0.2019   -0.0133   -0.1793    0.0321    0
    3   -1   -1   -1   -0.0254    0.0858   -0.0241    0.0824    0.0036    1
    4    0    0    1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    1    2    3    0.0572   -0.2269    0.0566   -0.2258    0.0013    1
    6   -1   -2    0   -0.1045    0.1171   -0.1046    0.1173    0.0002    1
    7    0    1    2    0.1204   -0.5988    0.1201   -0.5972    0.0016    1
    8    1    3    3    0.0960   -0.2322    0.1441   -0.2219    0.0492    0
    9   -1   -5    3   -0.1928    0.0491   -0.1940    0.0483    0.0015    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    4    3    0.5356   -0.6144    0.5314   -0.6143    0.0042    1
   12    0   -1    1   -0.1817   -0.0369   -0.1815   -0.0378    0.0009    1
   13   -1    5   -3    0.1608    0.0217    0.1981   -0.0091    0.0484    0
   14   -1    4    0    0.5297   -0.1503    0.5323   -0.1459    0.0050    1
   15    0   -1    2   -0.3386   -0.2364   -0.3358   -0.2354    0.0030    1
   16   -1    4   -3    0.1256    0.0353    0.1256    0.0356    0.0003    1
   17   -2    5    0    0.7288   -0.0818    0.7260   -0.0804    0.0031    1
   18   -1    2    1    1.0591   -0.5123    1.0655   -0.4953    0.0182    1
   19   -2    3   -5    0.0366    0.0398    0.0407    0.0272    0.0132    1
   20   -1    2   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -1    3   -0.0355   -0.0601   -0.0357   -0.0605    0.0005    1
   22   -1    1   -1    0.2969    0.3319    0.2970    0.3320    0.0002    1
   23   -1    0   -1    0.0341    0.2683    0.0342    0.2676    0.0007    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -2    3   -0.7292   -0.0554   -0.7289   -0.0565    0.0011    1
    2    1    1    3    0.0099   -0.2027   -0.0133   -0.1793    0.0329    0
    3   -1   -1   -1   -0.0245    0.0846   -0.0241    0.0824    0.0022    1
    4    0    0    1   -0.1971   -0.5881   -0.1976   -0.5890    0.0010    1
    5    1    2    3    0.0576   -0.2275    0.0566   -0.2258    0.0020    1
    6   -1   -2    0   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    0    1    2    0.1205   -0.5989    0.1201   -0.5972    0.0018    1
    8    1    3    3    0.0965   -0.2327    0.1441   -0.2219    0.0488    0
    9   -1   -5    3   -0.1930    0.0481   -0.1940    0.0483    0.0010    1
   10    0    1    0    0.2267   -0.1276    0.2267   -0.1283    0.0008    1
   11   -1    4    3    0.5373   -0.6134    0.5314   -0.6143    0.0059    1
   12    0   -1    1   -0.1817   -0.0383   -0.1815   -0.0378    0.0005    1
   13   -1    5   -3    0.1589    0.0215    0.1981   -0.0091    0.0497    0
   14   -1    4    0    0.5286   -0.1476    0.5323   -0.1459    0.0040    1
   15    0   -1    2   -0.3370   -0.2372   -0.3358   -0.2354    0.0022    1
   16   -1    4   -3    0.1237    0.0346    0.1256    0.0356    0.0022    1
   17   -2    5    0    0.7259   -0.0780    0.7260   -0.0804    0.0023    1
   18   -1    2    1    1.0601   -0.5062    1.0655   -0.4953    0.0122    1
   19   -1    5   -4    0.0615    0.0158    0.0407    0.0272    0.0237    0
   20   -1    2   -1    0.4392    0.1635    0.4436    0.1639    0.0044    1
   21    1   -1    3   -0.0355   -0.0616   -0.0357   -0.0605    0.0011    1
   22   -1    1   -1    0.2938    0.3280    0.2970    0.3320    0.0051    1
   23   -1    0   -1    0.0349    0.2653    0.0342    0.2676    0.0025    1

###            No.167                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9176    1.0972    1.0977   90.0972  107.1539  107.8493      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9154    1.1006    1.0981   90.0385  107.5498  107.6628      0.0000         0.8336    1.0023
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0098    0.0164    0.0149    0.8582    1.4084    1.1659      0.0000         0.0135    0.0154
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2116    0.2192   -1.1652)
 a2 = (    0.1621   -0.8059   -0.5007)
 a3 = (   -0.9222   -0.1920   -0.1761)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2222    0.2217   -1.1672) (    0.0265    0.0222    0.0058)
 a2 = (    0.1601   -0.8025   -0.4990) (    0.0107    0.0135    0.0072)
 a3 = (   -0.9242   -0.1917   -0.1753) (    0.0126    0.0098    0.0059)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.1037   82.5275  -74.1299    1.0065    1.2561    0.6871
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0002    0.0000      0.0025    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7387         5.5749
# Chi-squares at the beginning and the end of the refinement
    0.0365    0.0100
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -2   -0.7333   -0.0588   -0.7289   -0.0565    0.0049    1
    2    1   -3   -1   -0.0143   -0.1802   -0.0133   -0.1793    0.0014    1
    3   -1    2    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    0   -2   -1   -0.1950   -0.5882   -0.1976   -0.5890    0.0027    1
    5    1   -4    0    0.0572   -0.2290    0.0566   -0.2258    0.0033    1
    6   -1    2   -1   -0.1030    0.1158   -0.1046    0.1173    0.0022    1
    7    0   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1   -5    1    0.1117   -0.2330    0.1441   -0.2219    0.0342    0
    9   -1    2   -4   -0.1933    0.0486   -0.1940    0.0483    0.0008    1
   10    0   -1    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -4    2    0.5322   -0.6113    0.5314   -0.6143    0.0031    1
   12    0    0   -1   -0.1830   -0.0381   -0.1815   -0.0378    0.0015    1
   13   -1   -1    5    0.1710    0.0140    0.1981   -0.0091    0.0356    0
   14   -1   -2    3    0.5266   -0.1494    0.5323   -0.1459    0.0066    1
   15    0   -1   -2   -0.3379   -0.2390   -0.3358   -0.2354    0.0042    1
   16   -1    0    4    0.1226    0.0348    0.1256    0.0356    0.0031    1
   17   -1   -1    2    0.7227   -0.0816    0.7260   -0.0804    0.0036    1
   18   -2   -3    3    0.9372   -0.4647    1.0655   -0.4953    0.1319    0
   19   -1    1    3    0.0393    0.0263    0.0407    0.0272    0.0017    1
   20   -1    0    2    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21    1   -2   -2   -0.0373   -0.0630   -0.0357   -0.0605    0.0030    1
   22   -3    2    4    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23   -3    4    2    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -2   -0.7281   -0.0567   -0.7289   -0.0565    0.0009    1
    2    1   -3   -1   -0.0135   -0.1778   -0.0133   -0.1793    0.0016    1
    3   -1    2    0   -0.0248    0.0853   -0.0241    0.0824    0.0030    1
    4    0   -2   -1   -0.1967   -0.5865   -0.1976   -0.5890    0.0026    1
    5    1   -4    0    0.0576   -0.2270    0.0566   -0.2258    0.0016    1
    6   -1    2   -1   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7    0   -1    0    0.1198   -0.5978    0.1201   -0.5972    0.0007    1
    8    1   -5    1    0.1119   -0.2312    0.1441   -0.2219    0.0335    0
    9   -1    2   -4   -0.1927    0.0485   -0.1940    0.0483    0.0013    1
   10    0   -1    1    0.2271   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -4    2    0.5352   -0.6143    0.5314   -0.6143    0.0037    1
   12    0    0   -1   -0.1813   -0.0376   -0.1815   -0.0378    0.0003    1
   13   -1   -1    5    0.1725    0.0144    0.1981   -0.0091    0.0348    0
   14   -1   -2    3    0.5296   -0.1488    0.5323   -0.1459    0.0039    1
   15    0   -1   -2   -0.3364   -0.2365   -0.3358   -0.2354    0.0013    1
   16   -1    0    4    0.1246    0.0355    0.1256    0.0356    0.0010    1
   17   -1   -1    2    0.7280   -0.0802    0.7260   -0.0804    0.0020    1
   18   -2   -3    3    0.9461   -0.4675    1.0655   -0.4953    0.1226    0
   19   -1    1    3    0.0416    0.0277    0.0407    0.0272    0.0010    1
   20   -1    0    2    0.4415    0.1643    0.4436    0.1639    0.0021    1
   21    1   -2   -2   -0.0354   -0.0607   -0.0357   -0.0605    0.0003    1
   22   -3    2    4    0.2953    0.3305    0.2970    0.3320    0.0022    1
   23   -3    4    2    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.168                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9167    1.0982    1.1008   89.8935   72.4419   72.0393      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9154    1.1006    1.0981   90.0385   72.4502   72.3372      0.0000         0.8336    1.0023
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0098    0.0164    0.0149    0.8582    1.4084    1.1659      0.0000         0.0135    0.0154
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2210    0.2156   -1.1688)
 a2 = (   -0.1620    0.8055    0.5005)
 a3 = (    0.9219    0.1919    0.1746)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2222    0.2217   -1.1672) (    0.0265    0.0222    0.0058)
 a2 = (   -0.1601    0.8025    0.4990) (    0.0107    0.0135    0.0072)
 a3 = (    0.9242    0.1917    0.1753) (    0.0126    0.0098    0.0059)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -76.8963   97.4725  105.8701    1.0065    1.2561    0.6871
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0002    0.0000      0.0025    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.4498         5.5749
# Chi-squares at the beginning and the end of the refinement
    0.0236    0.0100
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    2   -0.7304   -0.0595   -0.7289   -0.0565    0.0033    1
    2    1    3    1   -0.0136   -0.1786   -0.0133   -0.1793    0.0008    1
    3   -1   -2    0   -0.0252    0.0844   -0.0241    0.0824    0.0022    1
    4    0    2    1   -0.1948   -0.5874   -0.1976   -0.5890    0.0032    1
    5    1    4    0    0.0576   -0.2278    0.0566   -0.2258    0.0023    1
    6   -1   -2    1   -0.1041    0.1161   -0.1046    0.1173    0.0013    1
    7    0    1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1    5   -1    0.1119   -0.2321    0.1441   -0.2219    0.0338    0
    9   -1   -2    4   -0.1926    0.0482   -0.1940    0.0483    0.0014    1
   10    0    1   -1    0.2277   -0.1289    0.2267   -0.1283    0.0011    1
   11   -1    4   -2    0.5324   -0.6149    0.5314   -0.6143    0.0011    1
   12    0    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1    1   -5    0.1738    0.0141    0.1981   -0.0091    0.0336    0
   14   -1    2   -3    0.5305   -0.1516    0.5323   -0.1459    0.0059    1
   15    0    1    2   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16   -1    0   -4    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1    1   -2    0.7299   -0.0843    0.7260   -0.0804    0.0056    1
   18   -2    3   -3    0.9427   -0.4730    1.0655   -0.4953    0.1248    0
   19   -1   -1   -3    0.0419    0.0281    0.0407    0.0272    0.0014    1
   20   -1    0   -2    0.4444    0.1642    0.4436    0.1639    0.0009    1
   21    1    2    2   -0.0358   -0.0610   -0.0357   -0.0605    0.0005    1
   22   -3   -2   -4    0.2967    0.3325    0.2970    0.3320    0.0005    1
   23   -3   -4   -2    0.0335    0.2675    0.0342    0.2676    0.0007    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    2   -0.7281   -0.0567   -0.7289   -0.0565    0.0009    1
    2    1    3    1   -0.0135   -0.1778   -0.0133   -0.1793    0.0016    1
    3   -1   -2    0   -0.0248    0.0853   -0.0241    0.0824    0.0030    1
    4    0    2    1   -0.1967   -0.5865   -0.1976   -0.5890    0.0026    1
    5    1    4    0    0.0576   -0.2270    0.0566   -0.2258    0.0016    1
    6   -1   -2    1   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7    0    1    0    0.1198   -0.5978    0.1201   -0.5972    0.0007    1
    8    1    5   -1    0.1119   -0.2312    0.1441   -0.2219    0.0335    0
    9   -1   -2    4   -0.1927    0.0485   -0.1940    0.0483    0.0013    1
   10    0    1   -1    0.2271   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1    4   -2    0.5352   -0.6143    0.5314   -0.6143    0.0037    1
   12    0    0    1   -0.1813   -0.0376   -0.1815   -0.0378    0.0003    1
   13   -1    1   -5    0.1725    0.0144    0.1981   -0.0091    0.0348    0
   14   -1    2   -3    0.5296   -0.1488    0.5323   -0.1459    0.0039    1
   15    0    1    2   -0.3364   -0.2365   -0.3358   -0.2354    0.0013    1
   16   -1    0   -4    0.1246    0.0355    0.1256    0.0356    0.0010    1
   17   -1    1   -2    0.7280   -0.0802    0.7260   -0.0804    0.0020    1
   18   -2    3   -3    0.9461   -0.4675    1.0655   -0.4953    0.1226    0
   19   -1   -1   -3    0.0416    0.0277    0.0407    0.0272    0.0010    1
   20   -1    0   -2    0.4415    0.1643    0.4436    0.1639    0.0021    1
   21    1    2    2   -0.0354   -0.0607   -0.0357   -0.0605    0.0003    1
   22   -3   -2   -4    0.2953    0.3305    0.2970    0.3320    0.0022    1
   23   -3   -4   -2    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.169                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7981    1.0735    1.2502  104.9031  100.0937   97.9210      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7987    1.0746    1.2502  104.7344  100.4061   98.2954      0.0000         0.6388    0.8595
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0045    0.0166    0.0264    1.0692    1.0283    1.3212      0.0000         0.0126    0.0134
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3922   -0.7063    1.0145)
 a2 = (   -0.8272    0.4683    0.2476)
 a3 = (   -0.6424   -0.4504   -0.3232)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4005   -0.7076    1.0134) (    0.0217    0.0164    0.0108)
 a2 = (   -0.8278    0.4656    0.2498) (    0.0162    0.0099    0.0071)
 a3 = (   -0.6421   -0.4526   -0.3225) (    0.0154    0.0112    0.0082)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   82.6668  128.1483  -41.2751    1.0484    0.7219    0.8815
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0006    0.0008    0.0000      0.0032    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         5.5335         5.4040
# Chi-squares at the beginning and the end of the refinement
    0.0903    0.0749
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -3   -0.7310   -0.0546   -0.7289   -0.0565    0.0028    1
    2   -1    3   -3    0.0094   -0.2011   -0.0133   -0.1793    0.0315    0
    3    1   -2    1   -0.0255    0.0861   -0.0241    0.0824    0.0039    1
    4    0    1   -2   -0.1963   -0.5873   -0.1976   -0.5890    0.0021    1
    5   -1    4   -3    0.0569   -0.2262    0.0566   -0.2258    0.0006    1
    6    2   -5    0   -0.1047    0.1172   -0.1046    0.1173    0.0001    1
    7    0    1   -1    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -1    5   -3    0.0957   -0.2317    0.1441   -0.2219    0.0494    0
    9    1   -4   -3   -0.1927    0.0489   -0.1940    0.0483    0.0014    1
   10    0    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    5   -3    0.5344   -0.6135    0.5314   -0.6143    0.0030    1
   12    0   -1   -2   -0.1812   -0.0371   -0.1815   -0.0378    0.0008    1
   13    1    3    3    0.1611    0.0219    0.1981   -0.0091    0.0483    0
   14    1    4    0    0.4928   -0.1554    0.5323   -0.1459    0.0407    0
   15    0    0   -1   -0.3373   -0.2365   -0.3358   -0.2354    0.0018    1
   16    1    2    3    0.1259    0.0355    0.1256    0.0356    0.0003    1
   17    1    2    0    0.7284   -0.0820    0.7260   -0.0804    0.0029    1
   18    1    2   -1    1.0570   -0.5123    1.0655   -0.4953    0.0191    1
   19    1    2    4    0.0421    0.0143    0.0407    0.0272    0.0130    1
   20    1    1    1    0.4437    0.1640    0.4436    0.1639    0.0002    1
   21   -1    1   -3   -0.0351   -0.0595   -0.0357   -0.0605    0.0012    1
   22    1    0    1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    1   -1    1    0.0343    0.2687    0.0342    0.2676    0.0010    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1   -3   -0.7317   -0.0565   -0.7289   -0.0565    0.0028    1
    2   -1    3   -3    0.0085   -0.2020   -0.0133   -0.1793    0.0314    0
    3    1   -2    1   -0.0253    0.0851   -0.0241    0.0824    0.0029    1
    4    0    1   -2   -0.1963   -0.5868   -0.1976   -0.5890    0.0025    1
    5   -1    4   -3    0.0566   -0.2275    0.0566   -0.2258    0.0018    1
    6    2   -5    0   -0.1039    0.1166   -0.1046    0.1173    0.0010    1
    7    0    1   -1    0.1205   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1    5   -3    0.0959   -0.2332    0.1441   -0.2219    0.0495    0
    9    1   -4   -3   -0.1916    0.0487   -0.1940    0.0483    0.0024    1
   10    0    1    0    0.2286   -0.1281    0.2267   -0.1283    0.0019    1
   11    1    5   -3    0.5370   -0.6119    0.5314   -0.6143    0.0061    1
   12    0   -1   -2   -0.1800   -0.0365   -0.1815   -0.0378    0.0020    1
   13    1    3    3    0.1615    0.0233    0.1981   -0.0091    0.0489    0
   14    1    4    0    0.4937   -0.1530    0.5323   -0.1459    0.0392    0
   15    0    0   -1   -0.3362   -0.2357   -0.3358   -0.2354    0.0005    1
   16    1    2    3    0.1260    0.0369    0.1256    0.0356    0.0013    1
   17    1    2    0    0.7266   -0.0783    0.7260   -0.0804    0.0022    1
   18    1    2   -1    1.0559   -0.5044    1.0655   -0.4953    0.0133    1
   19    1    2    4    0.0425    0.0156    0.0407    0.0272    0.0118    1
   20    1    1    1    0.4413    0.1649    0.4436    0.1639    0.0025    1
   21   -1    1   -3   -0.0360   -0.0589   -0.0357   -0.0605    0.0017    1
   22    1    0    1    0.2954    0.3302    0.2970    0.3320    0.0024    1
   23    1   -1    1    0.0346    0.2675    0.0342    0.2676    0.0005    1

###            No.170                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8496    1.0000    1.3653   82.3072   71.9127   65.0781      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8589    1.0051    1.3496   82.3498   71.7535   64.6544      0.0000         0.6364    0.7447
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0076    0.0176    0.0265    0.9034    0.7701    0.7848      0.0000         0.0131    0.0106
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8727    0.5664   -0.8650)
 a2 = (    0.2609   -1.0418   -0.2500)
 a3 = (   -0.4164   -0.2454    0.6001)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8535    0.5772   -0.8637) (    0.0163    0.0189    0.0118)
 a2 = (    0.2616   -1.0397   -0.2499) (    0.0098    0.0183    0.0082)
 a3 = (   -0.4281   -0.2531    0.6011) (    0.0154    0.0105    0.0099)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -129.9515   56.9315  -67.1469    0.7165    0.8217    0.7297
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0006    0.0000      0.0024    0.0027    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         6.2765         5.1891
# Chi-squares at the beginning and the end of the refinement
    0.1065    0.0178
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2   -1   -1   -0.7212   -0.0586   -0.7289   -0.0565    0.0080    1
    2   -1   -5   -2   -0.0138   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -1    4    1   -0.0258    0.0857   -0.0241    0.0824    0.0037    1
    4   -2   -4   -1   -0.1983   -0.5818   -0.1976   -0.5890    0.0072    1
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -2    2   -1   -0.1055    0.1168   -0.1046    0.1173    0.0010    1
    7   -1   -5    1    0.1149   -0.5953    0.1201   -0.5972    0.0056    1
    8    1   -4    2    0.1436   -0.2216    0.1441   -0.2219    0.0006    1
    9   -1    0   -1   -0.1935    0.0482   -0.1940    0.0483    0.0005    1
   10    1   -1    2    0.2249   -0.1278    0.2267   -0.1283    0.0018    1
   11    0   -1    1    0.5268   -0.6194    0.5314   -0.6143    0.0069    1
   12   -3   -2   -4   -0.1632   -0.0592   -0.1815   -0.0378    0.0283    0
   13    1    0    2    0.1961   -0.0087    0.1981   -0.0091    0.0020    1
   14    1   -1    4    0.6074   -0.1360    0.5323   -0.1459    0.0757    0
   15   -1   -1   -1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    2    1    4    0.1236    0.0349    0.1256    0.0356    0.0021    1
   17    1   -1    5    0.7316   -0.0867    0.7260   -0.0804    0.0084    1
   18    0   -1    2    1.0575   -0.5328    1.0655   -0.4953    0.0383    1
   19    1    1    2    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    2    1    7    0.4441    0.1642    0.4436    0.1639    0.0006    1
   21   -1   -2   -2   -0.0359   -0.0609   -0.0357   -0.0605    0.0004    1
   22    1    2    5    0.2958    0.3337    0.2970    0.3320    0.0021    1
   23    0    1    1    0.0324    0.2681    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -2   -1   -1   -0.7303   -0.0546   -0.7289   -0.0565    0.0024    1
    2   -1   -5   -2   -0.0136   -0.1771   -0.0133   -0.1793    0.0022    1
    3   -1    4    1   -0.0251    0.0852   -0.0241    0.0824    0.0030    1
    4   -2   -4   -1   -0.1959   -0.5876   -0.1976   -0.5890    0.0022    1
    5    0   -1    0    0.0571   -0.2266    0.0566   -0.2258    0.0010    1
    6   -2    2   -1   -0.1042    0.1165   -0.1046    0.1173    0.0009    1
    7   -1   -5    1    0.1208   -0.5975    0.1201   -0.5972    0.0008    1
    8    1   -4    2    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -1    0   -1   -0.1924    0.0481   -0.1940    0.0483    0.0017    1
   10    1   -1    2    0.2268   -0.1283    0.2267   -0.1283    0.0001    1
   11    0   -1    1    0.5365   -0.6122    0.5314   -0.6143    0.0054    1
   12   -3   -2   -4   -0.1615   -0.0593   -0.1815   -0.0378    0.0293    0
   13    1    0    2    0.1979   -0.0088    0.1981   -0.0091    0.0004    1
   14    1   -1    4    0.6059   -0.1301    0.5323   -0.1459    0.0753    0
   15   -1   -1   -1   -0.3365   -0.2368   -0.3358   -0.2354    0.0016    1
   16    2    1    4    0.1254    0.0350    0.1256    0.0356    0.0006    1
   17    1   -1    5    0.7265   -0.0790    0.7260   -0.0804    0.0014    1
   18    0   -1    2    1.0583   -0.5057    1.0655   -0.4953    0.0127    1
   19    1    1    2    0.0425    0.0277    0.0407    0.0272    0.0019    1
   20    2    1    6    0.3620    0.1259    0.4436    0.1639    0.0900    0
   21   -1   -2   -2   -0.0349   -0.0601   -0.0357   -0.0605    0.0009    1
   22    1    2    5    0.2950    0.3297    0.2970    0.3320    0.0031    1
   23    0    1    1    0.0346    0.2667    0.0342    0.2676    0.0010    1

###            No.172                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8518    1.0033    1.3565   82.5433   72.0587   65.0477      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8570    1.0033    1.3566   82.4365   71.6599   64.5678      0.0000         0.6317    0.7396
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0075    0.0196    0.0224    0.8422    0.8507    0.9694      0.0000         0.0109    0.0126
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.1865    0.8806   -1.0055)
 a2 = (   -1.0487   -0.2974    0.1423)
 a3 = (   -0.0298    0.4168    0.6525)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.1981    0.8754   -1.0075) (    0.0220    0.0142    0.0124)
 a2 = (   -1.0527   -0.2990    0.1427) (    0.0180    0.0089    0.0064)
 a3 = (   -0.0327    0.4160    0.6549) (    0.0103    0.0120    0.0093)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -104.7109   50.5344 -170.3067    0.9564    0.8103    0.5572
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0007    0.0000      0.0027    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         8.0115         5.1677
# Chi-squares at the beginning and the end of the refinement
    0.0474    0.0148
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -2    1   -0.7266   -0.0506   -0.7289   -0.0565    0.0063    1
    2    1    0    2   -0.0129   -0.1738   -0.0133   -0.1793    0.0055    1
    3   -3   -1   -4   -0.0098    0.0643   -0.0241    0.0824    0.0231    0
    4    1   -1    5   -0.1943   -0.5837   -0.1976   -0.5890    0.0063    1
    5    2    1    4    0.0565   -0.2225    0.0566   -0.2258    0.0033    1
    6   -1   -1   -1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    2    1    7    0.1195   -0.5919    0.1201   -0.5972    0.0053    1
    8    1    1    2    0.1426   -0.2191    0.1441   -0.2219    0.0032    1
    9   -2   -4   -1   -0.1922    0.0493   -0.1940    0.0483    0.0021    1
   10    1    2    2    0.2242   -0.1273    0.2267   -0.1283    0.0027    1
   11    1    2    5    0.5311   -0.6109    0.5314   -0.6143    0.0033    1
   12   -1   -5    1   -0.1808   -0.0368   -0.1815   -0.0378    0.0012    1
   13    1    5    2    0.1972   -0.0087    0.1981   -0.0091    0.0010    1
   14    1    4    4    0.4752   -0.1564    0.5323   -0.1459    0.0580    0
   15    0   -1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0    1    1    0.7281   -0.0806    0.7260   -0.0804    0.0021    1
   18    0    1    2    1.0582   -0.5119    1.0655   -0.4953    0.0182    1
   19   -1    4   -2    0.0430    0.0289    0.0407    0.0272    0.0028    1
   20   -1    4    1    0.4427    0.1660    0.4436    0.1639    0.0023    1
   21    1   -1    2   -0.0341   -0.0583   -0.0357   -0.0605    0.0027    1
   22   -2    2   -1    0.2939    0.3339    0.2970    0.3320    0.0036    1
   23   -1    0   -1    0.0324    0.2681    0.0342    0.2676    0.0019    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -2    1   -0.7306   -0.0547   -0.7289   -0.0565    0.0025    1
    2    1    0    2   -0.0137   -0.1766   -0.0133   -0.1793    0.0027    1
    3   -4   -2   -5   -0.0258    0.0861   -0.0241    0.0824    0.0040    1
    4    1   -1    5   -0.1962   -0.5878   -0.1976   -0.5890    0.0018    1
    5    2    1    4    0.0569   -0.2261    0.0566   -0.2258    0.0005    1
    6   -1   -1   -1   -0.1052    0.1169   -0.1046    0.1173    0.0007    1
    7    2    1    7    0.1210   -0.5975    0.1201   -0.5972    0.0010    1
    8    1    1    2    0.1446   -0.2221    0.1441   -0.2219    0.0005    1
    9   -2   -4   -1   -0.1929    0.0480   -0.1940    0.0483    0.0011    1
   10    1    2    2    0.2263   -0.1280    0.2267   -0.1283    0.0006    1
   11    1    2    5    0.5368   -0.6118    0.5314   -0.6143    0.0059    1
   12   -1   -5    1   -0.1809   -0.0379   -0.1815   -0.0378    0.0006    1
   13    1    4    2    0.2107   -0.0271    0.1981   -0.0091    0.0220    0
   14    1    4    4    0.4767   -0.1552    0.5323   -0.1459    0.0564    0
   15    0   -1    1   -0.3368   -0.2367   -0.3358   -0.2354    0.0016    1
   16    0    1    0    0.1254    0.0350    0.1256    0.0356    0.0007    1
   17    0    1    1    0.7263   -0.0790    0.7260   -0.0804    0.0014    1
   18    0    1    2    1.0584   -0.5053    1.0655   -0.4953    0.0123    1
   19   -1    3   -2    0.0234    0.0180    0.0407    0.0272    0.0196    0
   20   -1    3    1    0.5316    0.2122    0.4436    0.1639    0.1004    0
   21    1   -1    2   -0.0349   -0.0596   -0.0357   -0.0605    0.0012    1
   22   -2    2   -1    0.2956    0.3305    0.2970    0.3320    0.0020    1
   23   -1    0   -1    0.0343    0.2680    0.0342    0.2676    0.0004    1

###            No.173                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8541    1.0001    1.3577   83.3185   71.9754   65.0895      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8576    1.0009    1.3580   82.3203   71.4178   64.8319      0.0000         0.6315    0.7371
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0074    0.0159    0.0220    1.0744    0.7955    1.1650      0.0000         0.0119    0.0108
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8869    0.9942   -0.2088)
 a2 = (    1.0519    0.2984   -0.1427)
 a3 = (    0.0393   -0.4069   -0.6580)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8864    0.9927   -0.2088) (    0.0150    0.0136    0.0086)
 a2 = (    1.0528    0.3000   -0.1419) (    0.0160    0.0120    0.0075)
 a3 = (    0.0323   -0.4167   -0.6549) (    0.0107    0.0109    0.0102)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -143.5525  164.8777  -12.7499    1.4029    0.4228    1.5713
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003    0.0000      0.0024    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.5158         5.1574
# Chi-squares at the beginning and the end of the refinement
    0.1170    0.0177
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -2   -0.7400   -0.0470   -0.7289   -0.0565    0.0146    1
    2    1    1   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -4   -2    1   -0.0254    0.0854   -0.0241    0.0824    0.0032    1
    4    1    2   -4   -0.1973   -0.5992   -0.1976   -0.5890    0.0102    1
    5    2    1   -2    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6   -1    0    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    2    1   -5    0.1284   -0.6043    0.1201   -0.5972    0.0110    1
    8    1    0   -1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9   -2    2   -1   -0.1932    0.0496   -0.1940    0.0483    0.0015    1
   10    1   -1   -1    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11    1   -1   -4    0.5492   -0.6089    0.5314   -0.6143    0.0186    1
   12   -1    4   -2   -0.1827   -0.0369   -0.1815   -0.0378    0.0015    1
   13    1   -3   -1    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14    1   -3   -3    0.4790   -0.1520    0.5323   -0.1459    0.0537    0
   15    0    1   -1   -0.3426   -0.2386   -0.3358   -0.2354    0.0076    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    0   -1   -1    0.7266   -0.0723    0.7260   -0.0804    0.0081    1
   18    0   -1   -2    1.0682   -0.4871    1.0655   -0.4953    0.0086    1
   19   -1   -5    1    0.0422    0.0282    0.0407    0.0272    0.0018    1
   20   -1   -4   -2    0.5300    0.2142    0.4436    0.1639    0.1000    0
   21    1    2   -1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22   -2   -4   -1    0.2947    0.3307    0.2970    0.3320    0.0026    1
   23   -1   -1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -2   -0.7300   -0.0551   -0.7289   -0.0565    0.0018    1
    2    1    1   -1   -0.0136   -0.1772   -0.0133   -0.1793    0.0022    1
    3   -4   -2    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    2   -4   -0.1961   -0.5872   -0.1976   -0.5890    0.0023    1
    5    2    1   -2    0.0572   -0.2266    0.0566   -0.2258    0.0010    1
    6   -1    0    0   -0.1042    0.1167   -0.1046    0.1173    0.0007    1
    7    2    1   -5    0.1207   -0.5975    0.1201   -0.5972    0.0007    1
    8    1    0   -1    0.1451   -0.2224    0.1441   -0.2219    0.0011    1
    9   -2    2   -1   -0.1926    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1   -1    0.2268   -0.1277    0.2267   -0.1283    0.0006    1
   11    1   -1   -4    0.5365   -0.6121    0.5314   -0.6143    0.0056    1
   12   -1    4   -2   -0.1810   -0.0377   -0.1815   -0.0378    0.0006    1
   13    1   -3   -1    0.2108   -0.0266    0.1981   -0.0091    0.0216    0
   14    1   -3   -3    0.4769   -0.1548    0.5323   -0.1459    0.0561    0
   15    0    1   -1   -0.3364   -0.2367   -0.3358   -0.2354    0.0015    1
   16    0   -1    0    0.1249    0.0352    0.1256    0.0356    0.0008    1
   17    0   -1   -1    0.7261   -0.0784    0.7260   -0.0804    0.0020    1
   18    0   -1   -2    1.0583   -0.5054    1.0655   -0.4953    0.0124    1
   19   -1   -4    1    0.0229    0.0177    0.0407    0.0272    0.0203    0
   20   -1   -4   -2    0.5304    0.2123    0.4436    0.1639    0.0995    0
   21    1    2   -1   -0.0352   -0.0602   -0.0357   -0.0605    0.0006    1
   22   -2   -4   -1    0.2945    0.3294    0.2970    0.3320    0.0036    1
   23   -1   -1    0    0.0346    0.2666    0.0342    0.2676    0.0012    1

###            No.175                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9545    1.0466    1.0571   87.2605   76.7464   76.6271      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9607    1.0487    1.0477   87.1879   76.6221   76.8706      0.0000         0.9169    1.0010
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0043    0.0179    0.0222    0.8303    0.9607    1.0789      0.0000         0.0189    0.0254
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0802   -1.0847   -0.1956)
 a2 = (    0.5428    0.3223   -0.7524)
 a3 = (    0.7776    0.0603    0.5798)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0845   -1.0771   -0.1925) (    0.0102    0.0014    0.0068)
 a2 = (    0.5353    0.3148   -0.7570) (    0.0177    0.0140    0.0119)
 a3 = (    0.7897    0.0609    0.5791) (    0.0209    0.0136    0.0103)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -168.1095   58.3360   79.2092    0.4345    0.7910    0.6139
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0000    0.0000      0.0024    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.8240         5.1413
# Chi-squares at the beginning and the end of the refinement
    0.0922    0.0069
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7412   -0.0574   -0.7289   -0.0565    0.0123    1
    2   -1    0    0   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    2    0    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -4   -1    2   -0.1902   -0.5900   -0.1976   -0.5890    0.0075    1
    5   -4   -1   -1    0.0573   -0.2269    0.0566   -0.2258    0.0013    1
    6    4    1    4   -0.1031    0.1168   -0.1046    0.1173    0.0016    1
    7   -2   -1    0    0.1229   -0.5937    0.1201   -0.5972    0.0045    1
    8   -2   -1   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    2    2    5   -0.1958    0.0498   -0.1940    0.0483    0.0022    1
   10   -1   -1   -1    0.2248   -0.1273    0.2267   -0.1283    0.0022    1
   11   -4   -4   -1    0.5328   -0.6061    0.5314   -0.6143    0.0083    1
   12    0    1    2   -0.1858   -0.0392   -0.1815   -0.0378    0.0045    1
   13   -1   -3   -3    0.1838    0.0030    0.1981   -0.0091    0.0188    0
   14   -1   -2   -1    0.6012   -0.1281    0.5323   -0.1459    0.0712    0
   15   -2    1    4   -0.3392   -0.2431   -0.3358   -0.2354    0.0084    1
   16    0   -1   -1    0.1206    0.0349    0.1256    0.0356    0.0051    1
   17   -2   -5   -2    0.7204   -0.0767    0.7260   -0.0804    0.0067    1
   18   -3   -5   -1    0.9373   -0.4562    1.0655   -0.4953    0.1340    0
   19    1   -2   -2    0.0376    0.0256    0.0407    0.0272    0.0036    1
   20    0   -2   -1    0.4343    0.1643    0.4436    0.1639    0.0093    1
   21   -2    1    1   -0.0372   -0.0641   -0.0357   -0.0605    0.0038    1
   22    2   -4   -1    0.2875    0.3253    0.2970    0.3320    0.0116    1
   23    4   -2    1    0.0333    0.2603    0.0342    0.2676    0.0074    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7285   -0.0563   -0.7289   -0.0565    0.0005    1
    2   -1    0    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    2    0    1   -0.0248    0.0852   -0.0241    0.0824    0.0029    1
    4   -4   -1    2   -0.1964   -0.5863   -0.1976   -0.5890    0.0029    1
    5   -4   -1   -1    0.0573   -0.2268    0.0566   -0.2258    0.0013    1
    6    4    1    4   -0.1042    0.1168   -0.1046    0.1173    0.0006    1
    7   -2   -1    0    0.1194   -0.5972    0.1201   -0.5972    0.0007    1
    8   -2   -1   -1    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    2    2    5   -0.1928    0.0486   -0.1940    0.0483    0.0013    1
   10   -1   -1   -1    0.2267   -0.1280    0.2267   -0.1283    0.0004    1
   11   -4   -4   -1    0.5337   -0.6145    0.5314   -0.6143    0.0023    1
   12    0    1    2   -0.1815   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -1   -3   -3    0.1871    0.0024    0.1981   -0.0091    0.0159    1
   14   -1   -2   -1    0.6066   -0.1320    0.5323   -0.1459    0.0756    0
   15   -2    1    4   -0.3366   -0.2367   -0.3358   -0.2354    0.0016    1
   16    0   -1   -1    0.1247    0.0352    0.1256    0.0356    0.0009    1
   17   -2   -5   -2    0.7282   -0.0816    0.7260   -0.0804    0.0026    1
   18   -3   -5   -1    0.9449   -0.4693    1.0655   -0.4953    0.1233    0
   19    1   -2   -2    0.0417    0.0276    0.0407    0.0272    0.0011    1
   20    0   -2   -1    0.4422    0.1640    0.4436    0.1639    0.0014    1
   21   -2    1    1   -0.0354   -0.0607   -0.0357   -0.0605    0.0003    1
   22    2   -4   -1    0.2955    0.3307    0.2970    0.3320    0.0019    1
   23    4   -2    1    0.0343    0.2670    0.0342    0.2676    0.0007    1

###            No.176                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0384    1.0457    1.0927   99.8554  100.1702  116.7154      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0448    1.0433    1.0904   99.8976   99.9852  116.9608      0.0000         0.9581    0.9568
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0088    0.0205    0.0209    0.8495    1.1244    0.9262      0.0000         0.0152    0.0176
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3424    0.9026   -0.5793)
 a2 = (    0.6069    0.3652   -0.8635)
 a3 = (   -0.4336   -0.3308   -0.8021)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3334    0.8965   -0.5841) (    0.0194    0.0096    0.0095)
 a2 = (    0.6137    0.3621   -0.8667) (    0.0227    0.0131    0.0139)
 a3 = (   -0.4301   -0.3360   -0.8038) (    0.0178    0.0162    0.0131)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -138.6151  127.9697  -41.1363    0.7222    0.8056    0.7696
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.5736         4.9931
# Chi-squares at the beginning and the end of the refinement
    0.0422    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -2   -0.7234   -0.0494   -0.7289   -0.0565    0.0090    1
    2    1    0   -1   -0.0133   -0.1797   -0.0133   -0.1793    0.0004    1
    3   -5    1    2   -0.0247    0.0817   -0.0241    0.0824    0.0009    1
    4    1    0   -2   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    3   -1   -2    0.0582   -0.2281    0.0566   -0.2258    0.0028    1
    6   -2    1    0   -0.1019    0.1136   -0.1046    0.1173    0.0046    1
    7    2   -1   -2    0.1209   -0.5985    0.1201   -0.5972    0.0016    1
    8    5   -3   -2    0.1457   -0.2230    0.1441   -0.2219    0.0020    1
    9   -3    3   -2   -0.1899    0.0486   -0.1940    0.0483    0.0041    1
   10    1   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3   -3   -2    0.5351   -0.6143    0.5314   -0.6143    0.0037    1
   12   -1    2   -2   -0.1810   -0.0366   -0.1815   -0.0378    0.0013    1
   13    3   -5    2    0.1975   -0.0088    0.1981   -0.0091    0.0007    1
   14    2   -3    0    0.5290   -0.1498    0.5323   -0.1459    0.0051    1
   15    0    1   -2   -0.3384   -0.2357   -0.3358   -0.2354    0.0026    1
   16    1   -3    2    0.1244    0.0351    0.1256    0.0356    0.0013    1
   17    1   -2    0    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18    2   -3   -1    0.8611   -0.4324    1.0655   -0.4953    0.2138    0
   19    0   -1    1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    1   -5    2    0.4412    0.1648    0.4436    0.1639    0.0025    1
   21    1    1   -2   -0.0365   -0.0623   -0.0357   -0.0605    0.0019    1
   22   -1   -3    2    0.2920    0.3311    0.2970    0.3320    0.0051    1
   23   -3   -1    2    0.0315    0.2632    0.0342    0.2676    0.0051    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -2   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    1    0   -1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3   -5    1    2   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    0   -2   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5    3   -1   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6   -2    1    0   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7    2   -1   -2    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8    5   -3   -2    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9   -3    3   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10    1   -1    0    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11    3   -3   -2    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1    2   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    3   -5    2    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14    2   -3    0    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    0    1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1   -3    2    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    1   -2    0    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18    2   -3   -1    0.8599   -0.4317    1.0655   -0.4953    0.2152    0
   19    0   -1    1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1   -5    2    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    1    1   -2   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -1   -3    2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -3   -1    2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.178                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9987    1.1162    1.1178   78.5325   63.4857   63.7562      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0057    1.1188    1.1176   77.5379   62.8767   63.3203      0.0000         0.8999    1.0010
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0117    0.0205    0.0198    1.1843    0.9016    1.0559      0.0000         0.0120    0.0140
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8041    0.9014   -0.1894)
 a2 = (    0.1808   -0.1820    0.9654)
 a3 = (    0.9538    0.2705   -0.1294)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8072    0.8956   -0.1921) (    0.0143    0.0131    0.0086)
 a2 = (    0.1741   -0.1858    0.9675) (    0.0202    0.0161    0.0159)
 a3 = (    0.9587    0.2712   -0.1349) (    0.0163    0.0100    0.0078)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -9.0544   90.3047  131.9810    0.4082    1.0434    0.8091
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0037   -0.0010    0.0000      0.0032    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.6498         4.9617
# Chi-squares at the beginning and the end of the refinement
    0.2400    0.1137
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7324   -0.0571   -0.7289   -0.0565    0.0035    1
    2    4    2    3   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3   -5   -1   -3   -0.0132    0.0694   -0.0241    0.0824    0.0169    1
    4    1    1    1   -0.1961   -0.5877   -0.1976   -0.5890    0.0019    1
    5    2    1    1    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6   -1    0    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7    4    3    2    0.1063   -0.4994    0.1201   -0.5972    0.0987    0
    8    4    2    1    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9   -2    1    3   -0.1932    0.0488   -0.1940    0.0483    0.0009    1
   10    2    1   -1    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11    1    1    0    0.5338   -0.6161    0.5314   -0.6143    0.0030    1
   12    0    1    3   -0.1819   -0.0376   -0.1815   -0.0378    0.0004    1
   13    2    1   -3    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14    1    1   -1    0.5311   -0.1512    0.5323   -0.1459    0.0054    1
   15    2    3    5   -0.3375   -0.2378   -0.3358   -0.2354    0.0030    1
   16    0    0   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    3   -3    0.7305   -0.0828    0.7260   -0.0804    0.0051    1
   18    2    3   -1    1.0582   -0.5168    1.0655   -0.4953    0.0227    1
   19   -3   -1   -5    0.0295    0.0451    0.0407    0.0272    0.0211    0
   20    0    1   -3    0.4440    0.1646    0.4436    0.1639    0.0008    1
   21    2    1    3   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -2    1   -5    0.2964    0.3320    0.2970    0.3320    0.0006    1
   23   -1    0   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    1   -0.7346   -0.0561   -0.7289   -0.0565    0.0057    1
    2    4    2    3   -0.0035   -0.1903   -0.0133   -0.1793    0.0147    1
    3   -5   -1   -3   -0.0182    0.0741   -0.0241    0.0824    0.0102    1
    4    1    1    1   -0.1989   -0.5891   -0.1976   -0.5890    0.0013    1
    5    2    1    1    0.0538   -0.2252    0.0566   -0.2258    0.0028    1
    6   -1    0    0   -0.1104    0.1173   -0.1046    0.1173    0.0058    1
    7    5    4    2    0.1811   -0.5567    0.1201   -0.5972    0.0732    0
    8    4    2    1    0.1216   -0.2281    0.1441   -0.2219    0.0233    0
    9   -2    1    3   -0.1949    0.0466   -0.1940    0.0483    0.0019    1
   10    2    1   -1    0.2249   -0.1282    0.2267   -0.1283    0.0018    1
   11    1    1    0    0.5389   -0.6094    0.5314   -0.6143    0.0089    1
   12    0    1    3   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13    2    1   -3    0.2177   -0.0417    0.1981   -0.0091    0.0380    0
   14    1    1   -1    0.5277   -0.1475    0.5323   -0.1459    0.0048    1
   15    2    3    5   -0.3381   -0.2350   -0.3358   -0.2354    0.0024    1
   16    0    0   -1    0.1266    0.0358    0.1256    0.0356    0.0010    1
   17    2    3   -3    0.7247   -0.0782    0.7260   -0.0804    0.0025    1
   18    2    3   -1    1.0563   -0.4986    1.0655   -0.4953    0.0098    1
   19   -3   -1   -5    0.0301    0.0502    0.0407    0.0272    0.0253    0
   20    0    1   -3    0.4430    0.1642    0.4436    0.1639    0.0006    1
   21    2    1    3   -0.0361   -0.0556   -0.0357   -0.0605    0.0049    1
   22   -2    1   -5    0.2987    0.3343    0.2970    0.3320    0.0029    1
   23   -1    0   -1    0.0320    0.2746    0.0342    0.2676    0.0073    1

###            No.179                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7781    0.9574    1.3425   89.4043   89.9164   89.9992      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7780    0.9535    1.3480   89.8612   90.2045   89.7485      0.0000         0.5772    0.7073
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0230    0.0335    0.9014    1.1189    0.7109      0.0000         0.0143    0.0157
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.0318   -0.0738   -0.7627)
 a2 = (    0.6106   -0.2838   -0.7986)
 a3 = (   -0.0911   -0.7134    0.1941)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0342   -0.0777   -0.7592) (    0.0079    0.0172    0.0107)
 a2 = (    0.6139   -0.2926   -0.7984) (    0.0205    0.0116    0.0167)
 a3 = (   -0.0913   -0.7106    0.1926) (    0.0122    0.0178    0.0063)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -142.2861   74.9388   -7.0660    0.6066    0.7744    0.5530
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005   -0.0006    0.0000      0.0037    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.3972         4.9244
# Chi-squares at the beginning and the end of the refinement
    0.1298    0.0757
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2   -1   -1   -5   -0.0320   -0.1434   -0.0133   -0.1793    0.0405    0
    3   -1    2    6   -0.0219    0.0613   -0.0241    0.0824    0.0213    0
    4   -1   -1   -2   -0.1995   -0.5900   -0.1976   -0.5890    0.0021    1
    5    0   -1   -2    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6   -1    1    2   -0.1069    0.1198   -0.1046    0.1173    0.0034    1
    7   -1   -3   -4    0.0717   -0.6221    0.1201   -0.5972    0.0544    0
    8    1   -3   -3    0.1788   -0.2014    0.1441   -0.2219    0.0403    0
    9   -3    2    1   -0.1971    0.0494   -0.1940    0.0483    0.0032    1
   10    1   -2   -1    0.2258   -0.1261    0.2267   -0.1283    0.0024    1
   11    0   -2   -1    0.5434   -0.6159    0.5314   -0.6143    0.0120    1
   12   -2    1   -1   -0.1846   -0.0385   -0.1815   -0.0378    0.0032    1
   13    2   -3    0    0.2163   -0.0391    0.1981   -0.0091    0.0351    0
   14    1   -3    0    0.5311   -0.1442    0.5323   -0.1459    0.0021    1
   15   -1    0   -1   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16    1   -1    1    0.1223    0.0355    0.1256    0.0356    0.0033    1
   17    1   -4    1    0.7295   -0.0712    0.7260   -0.0804    0.0098    1
   18    0   -1    0    1.0754   -0.4999    1.0655   -0.4953    0.0110    1
   19    2   -1    5    0.0353    0.0387    0.0407    0.0272    0.0127    1
   20    1   -2    2    0.4378    0.1677    0.4436    0.1639    0.0070    1
   21   -1    0   -3   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -2    5    0.2913    0.3305    0.2970    0.3320    0.0059    1
   23    0    0    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7295   -0.0554   -0.7289   -0.0565    0.0012    1
    2   -1   -1   -5   -0.0318   -0.1450   -0.0133   -0.1793    0.0390    0
    3    0    1    6   -0.0006    0.0777   -0.0241    0.0824    0.0239    0
    4   -1   -1   -2   -0.1974   -0.5885   -0.1976   -0.5890    0.0005    1
    5    0   -1   -2    0.0576   -0.2274    0.0566   -0.2258    0.0019    1
    6   -1    1    2   -0.1046    0.1167   -0.1046    0.1173    0.0006    1
    7   -1   -3   -4    0.0726   -0.6200    0.1201   -0.5972    0.0527    0
    8    1   -3   -3    0.1797   -0.2025    0.1441   -0.2219    0.0406    0
    9   -3    2    1   -0.1933    0.0480   -0.1940    0.0483    0.0008    1
   10    1   -2   -1    0.2265   -0.1274    0.2267   -0.1283    0.0009    1
   11    0   -2   -1    0.5378   -0.6132    0.5314   -0.6143    0.0064    1
   12   -2    1   -1   -0.1819   -0.0383   -0.1815   -0.0378    0.0006    1
   13    2   -3    0    0.2174   -0.0407    0.1981   -0.0091    0.0370    0
   14    1   -3    0    0.5285   -0.1475    0.5323   -0.1459    0.0041    1
   15   -1    0   -1   -0.3373   -0.2372   -0.3358   -0.2354    0.0023    1
   16    1   -1    1    0.1238    0.0345    0.1256    0.0356    0.0021    1
   17    1   -4    1    0.7259   -0.0780    0.7260   -0.0804    0.0024    1
   18    0   -1    0    1.0604   -0.5058    1.0655   -0.4953    0.0117    1
   19    2   -1    5    0.0359    0.0379    0.0407    0.0272    0.0117    1
   20    1   -2    2    0.4394    0.1634    0.4436    0.1639    0.0042    1
   21   -1    0   -3   -0.0355   -0.0614   -0.0357   -0.0605    0.0009    1
   22    1   -2    5    0.2942    0.3284    0.2970    0.3320    0.0045    1
   23    0    0    1    0.0348    0.2660    0.0342    0.2676    0.0017    1

###            No.180                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7792    0.9503    1.3505   90.0436   90.2344   90.2340      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7780    0.9517    1.3506   89.8411   90.0985   90.3277      0.0000         0.5761    0.7047
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0185    0.0253    0.8026    1.2805    0.8273      0.0000         0.0108    0.0154
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6501    1.1029    0.0900)
 a2 = (    0.6155   -0.2924   -0.8019)
 a3 = (   -0.4686    0.3186   -0.4766)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6522    1.1041    0.0879) (    0.0124    0.0074    0.0082)
 a2 = (    0.6158   -0.2931   -0.7993) (    0.0168    0.0128    0.0139)
 a3 = (   -0.4703    0.3171   -0.4759) (    0.0156    0.0105    0.0090)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  174.8672  130.1630 -123.8844    0.4809    0.5318    0.7434
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0007    0.0000      0.0027    0.0027    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.6653         4.8599
# Chi-squares at the beginning and the end of the refinement
    0.0306    0.0173
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7355   -0.0526   -0.7289   -0.0565    0.0076    1
    2    2   -1    1   -0.0137   -0.1783   -0.0133   -0.1793    0.0011    1
    3   -3    1   -3   -0.0012    0.0786   -0.0241    0.0824    0.0232    0
    4    3   -2   -1   -0.1967   -0.5921   -0.1976   -0.5890    0.0032    1
    5    1   -1    1    0.0577   -0.2277    0.0566   -0.2258    0.0022    1
    6   -1    2   -5   -0.1044    0.1171   -0.1046    0.1173    0.0003    1
    7    2   -3    1    0.1699   -0.5693    0.1201   -0.5972    0.0570    0
    8    1   -2    2    0.1458   -0.2233    0.1441   -0.2219    0.0022    1
    9    1    2   -5   -0.1933    0.0492   -0.1940    0.0483    0.0012    1
   10    0   -1    1    0.2277   -0.1283    0.2267   -0.1283    0.0010    1
   11    1   -4    1    0.5400   -0.6135    0.5314   -0.6143    0.0086    1
   12    2    2   -5   -0.1968   -0.0011   -0.1815   -0.0378    0.0397    0
   13   -1   -2    2    0.1986   -0.0084    0.1981   -0.0091    0.0008    1
   14   -1   -4    2    0.5188   -0.0902    0.5323   -0.1459    0.0574    0
   15    1    0   -1   -0.3396   -0.2381   -0.3358   -0.2354    0.0046    1
   16   -1   -1    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -4    1    0.7291   -0.0785    0.7260   -0.0804    0.0036    1
   18    0   -1    0    1.0630   -0.5050    1.0655   -0.4953    0.0100    1
   19   -2   -1    1    0.0421    0.0282    0.0407    0.0272    0.0017    1
   20   -2   -3    1    0.4488    0.1254    0.4436    0.1639    0.0388    0
   21    1    0    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -3   -2   -1    0.2956    0.3315    0.2970    0.3320    0.0015    1
   23   -1    0   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7307   -0.0548   -0.7289   -0.0565    0.0025    1
    2    2   -1    1   -0.0137   -0.1768   -0.0133   -0.1793    0.0026    1
    3   -3    1   -3   -0.0013    0.0793   -0.0241    0.0824    0.0230    0
    4    3   -2   -1   -0.1961   -0.5881   -0.1976   -0.5890    0.0017    1
    5    1   -1    1    0.0570   -0.2262    0.0566   -0.2258    0.0006    1
    6   -1    2   -5   -0.1052    0.1168   -0.1046    0.1173    0.0008    1
    7    2   -3    1    0.1684   -0.5667    0.1201   -0.5972    0.0571    0
    8    1   -2    2    0.1447   -0.2221    0.1441   -0.2219    0.0006    1
    9    1    2   -5   -0.1929    0.0479   -0.1940    0.0483    0.0012    1
   10    0   -1    1    0.2263   -0.1279    0.2267   -0.1283    0.0006    1
   11    1   -4    1    0.5371   -0.6114    0.5314   -0.6143    0.0063    1
   12    2    2   -5   -0.1958   -0.0022   -0.1815   -0.0378    0.0384    0
   13   -1   -2    2    0.1975   -0.0088    0.1981   -0.0091    0.0007    1
   14   -1   -4    2    0.5164   -0.0902    0.5323   -0.1459    0.0580    0
   15    1    0   -1   -0.3368   -0.2368   -0.3358   -0.2354    0.0017    1
   16   -1   -1    1    0.1253    0.0349    0.1256    0.0356    0.0008    1
   17   -1   -4    1    0.7260   -0.0788    0.7260   -0.0804    0.0016    1
   18    0   -1    0    1.0582   -0.5045    1.0655   -0.4953    0.0117    1
   19   -2   -1    1    0.0426    0.0278    0.0407    0.0272    0.0020    1
   20   -2   -3    1    0.4472    0.1242    0.4436    0.1639    0.0398    0
   21    1    0    0   -0.0349   -0.0597   -0.0357   -0.0605    0.0011    1
   22   -3   -2   -1    0.2956    0.3303    0.2970    0.3320    0.0022    1
   23   -1    0   -1    0.0343    0.2679    0.0342    0.2676    0.0003    1

###            No.181                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5434    1.1036    1.7362  106.1339   90.2473   90.7733      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5485    1.1009    1.7455  108.4290   90.3722   89.9618      0.0000         0.3143    0.6307
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0180    0.0294    1.1962    1.5004    0.8582      0.0000         0.0053    0.0090
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.7610    0.4745   -0.2477)
 a2 = (    0.1589   -0.7899   -0.4908)
 a3 = (   -0.1117    0.1348   -0.5735)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.7387    0.4947   -0.2361) (    0.0048    0.0164    0.0135)
 a2 = (    0.1617   -0.8013   -0.4985) (    0.0095    0.0130    0.0080)
 a3 = (   -0.1072    0.1132   -0.5834) (    0.0130    0.0109    0.0075)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -166.0252  147.5672 -152.2569    0.8041    0.4108    0.8328
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0003    0.0000      0.0033    0.0032    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.0632         4.8465
# Chi-squares at the beginning and the end of the refinement
    0.3583    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7018   -0.0235   -0.7289   -0.0565    0.0427    0
    2    1   -4    2   -0.0319   -0.1382   -0.0133   -0.1793    0.0451    0
    3    0    1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1   -4   -1   -0.2056   -0.5814   -0.1976   -0.5890    0.0110    1
    5    0   -2    1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6    1    4   -5   -0.0970    0.1102   -0.1046    0.1173    0.0104    1
    7    0   -1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8   -1   -4    2    0.1787   -0.2016    0.1441   -0.2219    0.0402    0
    9    1    1   -2   -0.1774    0.0484   -0.1940    0.0483    0.0166    1
   10   -1   -2    1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -4   -1    0.5426   -0.6056    0.5314   -0.6143    0.0141    1
   12    1    0   -1   -0.1684   -0.0306   -0.1815   -0.0378    0.0150    1
   13   -2   -2    1    0.2204   -0.0427    0.1981   -0.0091    0.0403    0
   14   -2   -2   -1    0.5404   -0.0719    0.5323   -0.1459    0.0745    0
   15    1   -1   -1   -0.3322   -0.2189   -0.3358   -0.2354    0.0169    1
   16   -1    0    0    0.1311    0.0353    0.1256    0.0356    0.0055    1
   17   -1   -1   -1    0.7184   -0.0718    0.7260   -0.0804    0.0115    1
   18   -1   -2   -2    1.0647   -0.4796    1.0655   -0.4953    0.0157    1
   19   -2    3   -2    0.0230    0.0293    0.0407    0.0272    0.0178    0
   20   -1    0   -1    0.4381    0.1618    0.4436    0.1639    0.0058    1
   21    1   -2    1   -0.0325   -0.0535   -0.0357   -0.0605    0.0077    1
   22   -1    1   -2    0.2930    0.3260    0.2970    0.3320    0.0073    1
   23   -1    4   -5    0.0346    0.2629    0.0342    0.2676    0.0048    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -3   -0.7308   -0.0553   -0.7289   -0.0565    0.0023    1
    2    1   -4    2   -0.0321   -0.1436   -0.0133   -0.1793    0.0404    0
    3    0    1   -1   -0.0253    0.0852   -0.0241    0.0824    0.0030    1
    4    1   -4   -1   -0.1964   -0.5874   -0.1976   -0.5890    0.0020    1
    5    0   -2    1    0.0568   -0.2270    0.0566   -0.2258    0.0012    1
    6    1    4   -5   -0.1043    0.1165   -0.1046    0.1173    0.0008    1
    7    0   -1    0    0.1205   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1   -4    2    0.1796   -0.2032    0.1441   -0.2219    0.0401    0
    9    1    1   -2   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10   -1   -2    1    0.2273   -0.1283    0.2267   -0.1283    0.0006    1
   11   -1   -4   -1    0.5369   -0.6124    0.5314   -0.6143    0.0058    1
   12    1    0   -1   -0.1805   -0.0375   -0.1815   -0.0378    0.0010    1
   13   -2   -2    1    0.2190   -0.0410    0.1981   -0.0091    0.0381    0
   14   -2   -2   -1    0.5456   -0.0741    0.5323   -0.1459    0.0730    0
   15    1   -1   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -1    0    0    0.1255    0.0355    0.1256    0.0356    0.0002    1
   17   -1   -1   -1    0.7264   -0.0786    0.7260   -0.0804    0.0018    1
   18   -1   -2   -2    1.0579   -0.5050    1.0655   -0.4953    0.0124    1
   19   -2    3   -2    0.0191    0.0247    0.0407    0.0272    0.0218    0
   20   -1    0   -1    0.4410    0.1641    0.4436    0.1639    0.0026    1
   21    1   -2    1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22   -1    1   -2    0.2951    0.3296    0.2970    0.3320    0.0030    1
   23   -1    4   -5    0.0347    0.2670    0.0342    0.2676    0.0009    1

###            No.182                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.5439    1.1031    1.7353   73.8560   89.5283   89.1131      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.5485    1.1009    1.7455   71.5710   89.6278   89.9618      0.0000         0.3143    0.6307
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0180    0.0294    1.1962    1.5004    0.8582      0.0000         0.0053    0.0090
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.7485   -0.5221    0.2257)
 a2 = (   -0.1589    0.7903    0.4910)
 a3 = (   -0.1118    0.1349   -0.5738)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.7387   -0.4947    0.2361) (    0.0048    0.0164    0.0135)
 a2 = (   -0.1617    0.8013    0.4985) (    0.0095    0.0130    0.0080)
 a3 = (   -0.1072    0.1132   -0.5834) (    0.0130    0.0109    0.0075)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   13.9748  147.5672 -152.2569    0.8041    0.4108    0.8328
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0003    0.0000      0.0033    0.0032    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.0200         4.8465
# Chi-squares at the beginning and the end of the refinement
    0.4810    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -3   -0.7154   -0.0404   -0.7289   -0.0565    0.0210    1
    2   -1    4    2   -0.0320   -0.1422   -0.0133   -0.1793    0.0415    0
    3    0   -1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    4   -1   -0.2009   -0.5823   -0.1976   -0.5890    0.0075    1
    5    0    2    1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -1   -4   -5   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7    0    1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    1    4    2    0.1781   -0.1986    0.1441   -0.2219    0.0412    0
    9   -1   -1   -2   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10    1    2    1    0.2239   -0.1226    0.2267   -0.1283    0.0064    1
   11    1    4   -1    0.5492   -0.6052    0.5314   -0.6143    0.0200    1
   12   -1    0   -1   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13    2    2    1    0.2127   -0.0364    0.1981   -0.0091    0.0309    0
   14    2    3   -1    0.5906   -0.1823    0.5323   -0.1459    0.0687    0
   15   -1    1   -1   -0.3334   -0.2308   -0.3358   -0.2354    0.0052    1
   16    1    0    0    0.1185    0.0354    0.1256    0.0356    0.0071    1
   17    1    1   -1    0.7147   -0.0531    0.7260   -0.0804    0.0295    1
   18    1    2   -2    1.0802   -0.4623    1.0655   -0.4953    0.0361    1
   19    2   -4   -3    0.0191    0.0348    0.0407    0.0272    0.0229    0
   20    1    0   -1    0.4207    0.1689    0.4436    0.1639    0.0234    0
   21   -1    2    1   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    1   -1   -2    0.2759    0.3195    0.2970    0.3320    0.0245    0
   23    1   -4   -5    0.0325    0.2553    0.0342    0.2676    0.0124    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -3   -0.7308   -0.0553   -0.7289   -0.0565    0.0023    1
    2   -1    4    2   -0.0321   -0.1436   -0.0133   -0.1793    0.0404    0
    3    0   -1   -1   -0.0253    0.0852   -0.0241    0.0824    0.0030    1
    4   -1    4   -1   -0.1964   -0.5874   -0.1976   -0.5890    0.0020    1
    5    0    2    1    0.0568   -0.2270    0.0566   -0.2258    0.0012    1
    6   -1   -4   -5   -0.1043    0.1165   -0.1046    0.1173    0.0008    1
    7    0    1    0    0.1205   -0.5980    0.1201   -0.5972    0.0009    1
    8    1    4    2    0.1796   -0.2032    0.1441   -0.2219    0.0401    0
    9   -1   -1   -2   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10    1    2    1    0.2273   -0.1283    0.2267   -0.1283    0.0006    1
   11    1    4   -1    0.5369   -0.6124    0.5314   -0.6143    0.0058    1
   12   -1    0   -1   -0.1805   -0.0375   -0.1815   -0.0378    0.0010    1
   13    2    2    1    0.2190   -0.0410    0.1981   -0.0091    0.0381    0
   14    2    2   -1    0.5456   -0.0741    0.5323   -0.1459    0.0730    0
   15   -1    1   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    1    0    0    0.1255    0.0355    0.1256    0.0356    0.0002    1
   17    1    1   -1    0.7264   -0.0786    0.7260   -0.0804    0.0018    1
   18    1    2   -2    1.0579   -0.5050    1.0655   -0.4953    0.0124    1
   19    2   -3   -2    0.0191    0.0247    0.0407    0.0272    0.0218    0
   20    1    0   -1    0.4410    0.1641    0.4436    0.1639    0.0026    1
   21   -1    2    1   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22    1   -1   -2    0.2951    0.3296    0.2970    0.3320    0.0030    1
   23    1   -4   -5    0.0347    0.2670    0.0342    0.2676    0.0009    1

###            No.183                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6974    1.0089    1.4212   89.8100   89.9811   89.7476      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7002    1.0057    1.4201   90.2479   89.7179   89.7052      0.0000         0.4931    0.7082
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0168    0.0364    1.0773    0.7560    1.1874      0.0000         0.0126    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7921   -0.4589    1.1036)
 a2 = (    0.2345   -0.9361   -0.2266)
 a3 = (    0.5625    0.0415    0.4207)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7846   -0.4569    1.1024) (    0.0153    0.0193    0.0098)
 a2 = (    0.2409   -0.9383   -0.2241) (    0.0126    0.0162    0.0075)
 a3 = (    0.5664    0.0427    0.4163) (    0.0175    0.0097    0.0082)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  106.0070   53.4209   94.5099    0.8983    0.5855    0.8546
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0037   -0.0010    0.0000      0.0032    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2901         4.4866
# Chi-squares at the beginning and the end of the refinement
    0.2508    0.1137
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7439   -0.0549   -0.7289   -0.0565    0.0151    1
    2   -1   -4    2   -0.0326   -0.1429   -0.0133   -0.1793    0.0413    0
    3    1    5    1   -0.0137    0.0742   -0.0241    0.0824    0.0132    1
    4    0   -1    1   -0.1997   -0.5952   -0.1976   -0.5890    0.0065    1
    5    0   -1    0    0.0571   -0.2278    0.0566   -0.2258    0.0021    1
    6    0    1    1   -0.1078    0.1210   -0.1046    0.1173    0.0049    1
    7    1   -5    1    0.1850   -0.5625    0.1201   -0.5972    0.0736    0
    8    1   -4   -2    0.1813   -0.2033    0.1441   -0.2219    0.0416    0
    9   -1    2    6   -0.1963    0.0493   -0.1940    0.0483    0.0025    1
   10    1   -2   -2    0.2287   -0.1275    0.2267   -0.1283    0.0022    1
   11    1   -2    0    0.5472   -0.6133    0.5314   -0.6143    0.0158    1
   12   -1    0    4   -0.1827   -0.0375   -0.1815   -0.0378    0.0012    1
   13    2   -1   -4    0.1843    0.0067    0.1981   -0.0091    0.0210    0
   14    1   -1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1   -2    6   -0.3408   -0.2378   -0.3358   -0.2354    0.0056    1
   16    1    0   -2    0.1266    0.0358    0.1256    0.0356    0.0010    1
   17    3   -2   -2    0.7282   -0.0757    0.7260   -0.0804    0.0052    1
   18    1   -1    0    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19    2    3   -3    0.0318    0.0477    0.0407    0.0272    0.0223    0
   20    1    0   -1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -2    2   -0.0349   -0.0582   -0.0357   -0.0605    0.0025    1
   22    3    2   -2    0.3012    0.3309    0.2970    0.3320    0.0044    1
   23    1    2    0    0.0380    0.2737    0.0342    0.2676    0.0072    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7346   -0.0561   -0.7289   -0.0565    0.0057    1
    2   -1   -4    2   -0.0346   -0.1401   -0.0133   -0.1793    0.0447    0
    3    1    5    1   -0.0182    0.0741   -0.0241    0.0824    0.0102    1
    4    0   -1    1   -0.1989   -0.5891   -0.1976   -0.5890    0.0013    1
    5    0   -1    0    0.0538   -0.2252    0.0566   -0.2258    0.0028    1
    6    0    1    1   -0.1104    0.1173   -0.1046    0.1173    0.0058    1
    7    1   -5    1    0.1811   -0.5567    0.1201   -0.5972    0.0732    0
    8    1   -4   -2    0.1768   -0.2023    0.1441   -0.2219    0.0382    0
    9   -1    2    6   -0.1949    0.0466   -0.1940    0.0483    0.0019    1
   10    1   -2   -2    0.2249   -0.1282    0.2267   -0.1283    0.0018    1
   11    1   -2    0    0.5389   -0.6094    0.5314   -0.6143    0.0089    1
   12   -1    0    4   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13    2   -1   -4    0.1834    0.0057    0.1981   -0.0091    0.0208    0
   14    1   -1   -1    0.5277   -0.1475    0.5323   -0.1459    0.0048    1
   15   -1   -2    6   -0.3381   -0.2350   -0.3358   -0.2354    0.0024    1
   16    1    0   -2    0.1266    0.0358    0.1256    0.0356    0.0010    1
   17    3   -2   -2    0.7247   -0.0782    0.7260   -0.0804    0.0025    1
   18    1   -1    0    1.0563   -0.4986    1.0655   -0.4953    0.0098    1
   19    2    1   -4    0.0629    0.0365    0.0407    0.0272    0.0241    0
   20    1    0   -1    0.4430    0.1642    0.4436    0.1639    0.0006    1
   21   -1   -2    2   -0.0361   -0.0556   -0.0357   -0.0605    0.0049    1
   22    3    2   -2    0.2987    0.3343    0.2970    0.3320    0.0029    1
   23    1    2    0    0.0320    0.2746    0.0342    0.2676    0.0073    1

###            No.184                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6957    1.0102    1.4230   90.4918   90.4193   90.3968      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7002    1.0057    1.4201   89.7521   89.7179   90.2948      0.0000         0.4931    0.7082
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0168    0.0364    1.0773    0.7560    1.1874      0.0000         0.0126    0.0150
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7950    0.4565   -1.1072)
 a2 = (    0.2342   -0.9349   -0.2263)
 a3 = (   -0.5579   -0.0432   -0.4252)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7846    0.4569   -1.1024) (    0.0153    0.0193    0.0098)
 a2 = (    0.2409   -0.9383   -0.2241) (    0.0126    0.0162    0.0075)
 a3 = (   -0.5664   -0.0427   -0.4163) (    0.0175    0.0097    0.0082)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -106.0070  126.5791  -85.4901    0.8983    0.5855    0.8546
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0037   -0.0010    0.0000      0.0032    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7479         4.4866
# Chi-squares at the beginning and the end of the refinement
    0.3496    0.1137
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7575   -0.0587   -0.7289   -0.0565    0.0287    1
    2    1   -4   -2   -0.0327   -0.1440   -0.0133   -0.1793    0.0404    0
    3   -1    5   -1   -0.0140    0.0762   -0.0241    0.0824    0.0119    1
    4    0   -1   -1   -0.1987   -0.6003   -0.1976   -0.5890    0.0114    1
    5    0   -1    0    0.0571   -0.2278    0.0566   -0.2258    0.0021    1
    6    0    1   -1   -0.1107    0.1247   -0.1046    0.1173    0.0096    1
    7   -1   -5   -1    0.1862   -0.5636    0.1201   -0.5972    0.0741    0
    8   -1   -4    2    0.1806   -0.2027    0.1441   -0.2219    0.0412    0
    9    1    2   -6   -0.2023    0.0506   -0.1940    0.0483    0.0086    1
   10   -1   -2    2    0.2275   -0.1268    0.2267   -0.1283    0.0017    1
   11   -1   -2    0    0.5484   -0.6135    0.5314   -0.6143    0.0170    1
   12    1    0   -4   -0.1880   -0.0391   -0.1815   -0.0378    0.0066    1
   13   -2   -1    4    0.1822    0.0068    0.1981   -0.0091    0.0225    0
   14   -1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    1   -2   -6   -0.3452   -0.2429   -0.3358   -0.2354    0.0121    1
   16   -1    0    2    0.1244    0.0353    0.1256    0.0356    0.0013    1
   17   -3   -2    2    0.7287   -0.0760    0.7260   -0.0804    0.0051    1
   18   -1   -1    0    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19   -2    1    4    0.0608    0.0342    0.0407    0.0272    0.0212    0
   20   -1    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -2   -2   -0.0357   -0.0598   -0.0357   -0.0605    0.0007    1
   22   -3    2    2    0.3022    0.3314    0.2970    0.3320    0.0052    1
   23   -1    2    0    0.0387    0.2759    0.0342    0.2676    0.0095    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7346   -0.0561   -0.7289   -0.0565    0.0057    1
    2    1   -4   -2   -0.0346   -0.1401   -0.0133   -0.1793    0.0447    0
    3   -1    5   -1   -0.0182    0.0741   -0.0241    0.0824    0.0102    1
    4    0   -1   -1   -0.1989   -0.5891   -0.1976   -0.5890    0.0013    1
    5    0   -1    0    0.0538   -0.2252    0.0566   -0.2258    0.0028    1
    6    0    1   -1   -0.1104    0.1173   -0.1046    0.1173    0.0058    1
    7   -1   -5   -1    0.1811   -0.5567    0.1201   -0.5972    0.0732    0
    8   -1   -4    2    0.1768   -0.2023    0.1441   -0.2219    0.0382    0
    9    1    2   -6   -0.1949    0.0466   -0.1940    0.0483    0.0019    1
   10   -1   -2    2    0.2249   -0.1282    0.2267   -0.1283    0.0018    1
   11   -1   -2    0    0.5389   -0.6094    0.5314   -0.6143    0.0089    1
   12    1    0   -4   -0.1807   -0.0375   -0.1815   -0.0378    0.0009    1
   13   -2   -1    4    0.1834    0.0057    0.1981   -0.0091    0.0208    0
   14   -1   -1    1    0.5277   -0.1475    0.5323   -0.1459    0.0048    1
   15    1   -2   -6   -0.3381   -0.2350   -0.3358   -0.2354    0.0024    1
   16   -1    0    2    0.1266    0.0358    0.1256    0.0356    0.0010    1
   17   -3   -2    2    0.7247   -0.0782    0.7260   -0.0804    0.0025    1
   18   -1   -1    0    1.0563   -0.4986    1.0655   -0.4953    0.0098    1
   19   -2    1    4    0.0629    0.0365    0.0407    0.0272    0.0241    0
   20   -1    0    1    0.4430    0.1642    0.4436    0.1639    0.0006    1
   21    1   -2   -2   -0.0361   -0.0556   -0.0357   -0.0605    0.0049    1
   22   -3    2    2    0.2987    0.3343    0.2970    0.3320    0.0029    1
   23   -1    2    0    0.0320    0.2746    0.0342    0.2676    0.0073    1

###            No.188                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0432    1.0460    1.0857   99.7545   99.7675  116.8583      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0433    1.0446    1.0908   99.8735  100.0089  116.9730      0.0000         0.9565    0.9577
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0103    0.0241    0.0257    0.9474    0.9351    0.8800      0.0000         0.0172    0.0181
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.9008   -0.0698   -0.6606)
 a2 = (   -0.3279    0.8936   -0.5831)
 a3 = (    0.3349   -0.1274   -0.9051)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.9035   -0.0688   -0.6626) (    0.0069    0.0135    0.0094)
 a2 = (   -0.3337    0.8964   -0.5840) (    0.0158    0.0259    0.0105)
 a3 = (    0.3280   -0.1219   -0.9061) (    0.0221    0.0143    0.0157)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -113.9236  139.7769   64.1980    0.8575    0.6628    0.7216
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9917         4.4796
# Chi-squares at the beginning and the end of the refinement
    0.0248    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -3    5   -2   -0.0141   -0.1766   -0.0133   -0.1793    0.0028    1
    3    1   -5    2   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -3    3   -2   -0.1950   -0.5845   -0.1976   -0.5890    0.0052    1
    5   -1    3   -2    0.0566   -0.2260    0.0566   -0.2258    0.0002    1
    6   -1   -3    2   -0.1039    0.1166   -0.1046    0.1173    0.0010    1
    7   -1    2   -2    0.1194   -0.5938    0.1201   -0.5972    0.0034    1
    8    0    1   -1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9   -3   -1    2   -0.1916    0.0486   -0.1940    0.0483    0.0025    1
   10    1    1   -2    0.2257   -0.1282    0.2267   -0.1283    0.0011    1
   11    0    1   -2    0.5291   -0.6090    0.5314   -0.6143    0.0057    1
   12   -5    1    2   -0.1802   -0.0367   -0.1815   -0.0378    0.0017    1
   13    1    0   -1    0.1975   -0.0092    0.1981   -0.0091    0.0007    1
   14    2    1   -4    0.4368   -0.1591    0.5323   -0.1459    0.0964    0
   15   -2    1    0   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    3   -1   -2    0.1255    0.0350    0.1256    0.0356    0.0007    1
   17    1    0   -2    0.7220   -0.0850    0.7260   -0.0804    0.0062    1
   18    1    1   -5    0.9022   -0.4538    1.0655   -0.4953    0.1685    0
   19    5   -3   -2    0.0426    0.0282    0.0407    0.0272    0.0020    1
   20    2   -1   -2    0.4419    0.1605    0.4436    0.1639    0.0038    1
   21   -1    1    0   -0.0354   -0.0594   -0.0357   -0.0605    0.0011    1
   22    3   -3   -2    0.2979    0.3286    0.2970    0.3320    0.0035    1
   23    1   -2    0    0.0353    0.2676    0.0342    0.2676    0.0012    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0    0   -0.7288   -0.0558   -0.7289   -0.0565    0.0007    1
    2   -3    5   -2   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1   -5    2   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -3    3   -2   -0.1963   -0.5866   -0.1976   -0.5890    0.0027    1
    5   -1    3   -2    0.0573   -0.2268    0.0566   -0.2258    0.0012    1
    6   -1   -3    2   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1    2   -2    0.1194   -0.5972    0.1201   -0.5972    0.0007    1
    8    0    1   -1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9   -3   -1    2   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10    1    1   -2    0.2266   -0.1283    0.2267   -0.1283    0.0001    1
   11    0    1   -2    0.5336   -0.6146    0.5314   -0.6143    0.0022    1
   12   -5    1    2   -0.1813   -0.0377   -0.1815   -0.0378    0.0002    1
   13    1    0   -1    0.1977   -0.0088    0.1981   -0.0091    0.0005    1
   14    2    1   -4    0.4398   -0.1589    0.5323   -0.1459    0.0934    0
   15   -2    1    0   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16    3   -1   -2    0.1250    0.0350    0.1256    0.0356    0.0008    1
   17    1    0   -2    0.7283   -0.0820    0.7260   -0.0804    0.0028    1
   18    1    1   -5    0.9138   -0.4565    1.0655   -0.4953    0.1566    0
   19    5   -3   -2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    2   -1   -2    0.4425    0.1637    0.4436    0.1639    0.0011    1
   21   -1    1    0   -0.0352   -0.0607   -0.0357   -0.0605    0.0005    1
   22    3   -3   -2    0.2957    0.3307    0.2970    0.3320    0.0018    1
   23    1   -2    0    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.189                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0428    1.0492    1.0891   99.8390  100.1361  117.1383      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0446    1.0433    1.0908  100.0089   99.8735  116.9730      0.0000         0.9577    0.9565
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0093    0.0186    0.0231    0.9351    0.9474    0.8800      0.0000         0.0181    0.0172
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3293   -0.9031    0.5861)
 a2 = (    0.8969    0.0598    0.6646)
 a3 = (   -0.3325    0.1163    0.9077)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3337   -0.8964    0.5840) (    0.0194    0.0096    0.0095)
 a2 = (    0.9035    0.0688    0.6626) (    0.0214    0.0144    0.0114)
 a3 = (   -0.3280    0.1219    0.9061) (    0.0196    0.0157    0.0145)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   53.8061   40.2231 -115.8020    1.0788    0.6628    0.7216
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.1563         4.4796
# Chi-squares at the beginning and the end of the refinement
    0.0331    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7378   -0.0492   -0.7289   -0.0565    0.0115    1
    2   -5    3    2   -0.0136   -0.1773   -0.0133   -0.1793    0.0020    1
    3    5   -1   -2   -0.0254    0.0862   -0.0241    0.0824    0.0040    1
    4   -3    3    2   -0.1967   -0.5917   -0.1976   -0.5890    0.0029    1
    5   -3    1    2    0.0569   -0.2261    0.0566   -0.2258    0.0005    1
    6    3    1   -2   -0.1046    0.1182   -0.1046    0.1173    0.0010    1
    7   -2    1    2    0.1217   -0.5985    0.1201   -0.5972    0.0020    1
    8   -1    0    1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1    3   -2   -0.1944    0.0505   -0.1940    0.0483    0.0022    1
   10   -1   -1    2    0.2256   -0.1283    0.2267   -0.1283    0.0011    1
   11   -1    0    2    0.5364   -0.6128    0.5314   -0.6143    0.0052    1
   12   -1    5   -2   -0.1838   -0.0370   -0.1815   -0.0378    0.0024    1
   13    0   -1    1    0.1973   -0.0091    0.1981   -0.0091    0.0008    1
   14   -1   -2    4    0.4393   -0.1589    0.5323   -0.1459    0.0939    0
   15   -1    2    0   -0.3411   -0.2382   -0.3358   -0.2354    0.0060    1
   16    1   -3    2    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17    0   -1    2    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18   -1   -1    5    0.9155   -0.4516    1.0655   -0.4953    0.1562    0
   19    3   -5    2    0.0417    0.0278    0.0407    0.0272    0.0011    1
   20    1   -2    2    0.4426    0.1642    0.4436    0.1639    0.0010    1
   21   -1    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    3   -3    2    0.2955    0.3314    0.2970    0.3320    0.0016    1
   23    2   -1    0    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1    0   -0.7288   -0.0558   -0.7289   -0.0565    0.0007    1
    2   -5    3    2   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    5   -1   -2   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -3    3    2   -0.1963   -0.5866   -0.1976   -0.5890    0.0027    1
    5   -3    1    2    0.0573   -0.2268    0.0566   -0.2258    0.0012    1
    6    3    1   -2   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -2    1    2    0.1194   -0.5972    0.1201   -0.5972    0.0007    1
    8   -1    0    1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1    3   -2   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10   -1   -1    2    0.2266   -0.1283    0.2267   -0.1283    0.0001    1
   11   -1    0    2    0.5336   -0.6146    0.5314   -0.6143    0.0022    1
   12   -1    5   -2   -0.1813   -0.0377   -0.1815   -0.0378    0.0002    1
   13    0   -1    1    0.1977   -0.0088    0.1981   -0.0091    0.0005    1
   14   -1   -2    4    0.4398   -0.1589    0.5323   -0.1459    0.0934    0
   15   -1    2    0   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16    1   -3    2    0.1250    0.0350    0.1256    0.0356    0.0008    1
   17    0   -1    2    0.7283   -0.0820    0.7260   -0.0804    0.0028    1
   18   -1   -1    5    0.9138   -0.4565    1.0655   -0.4953    0.1566    0
   19    3   -5    2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1   -2    2    0.4425    0.1637    0.4436    0.1639    0.0011    1
   21   -1    1    0   -0.0352   -0.0607   -0.0357   -0.0605    0.0005    1
   22    3   -3    2    0.2957    0.3307    0.2970    0.3320    0.0018    1
   23    2   -1    0    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.190                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0417    1.0485    1.0947  100.3626  100.0627  117.1973      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0440    1.0462    1.0915  100.1956  100.0415  117.0300      0.0000         0.9565    0.9586
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0084    0.0149    0.0187    1.0572    1.0692    1.0261      0.0000         0.0163    0.0175
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5734   -0.9694   -0.0799)
 a2 = (   -0.6186   -0.3647    0.8631)
 a3 = (   -0.9244    0.2302   -0.1905)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5702   -0.9653   -0.0784) (    0.0096    0.0057    0.0067)
 a2 = (   -0.6137   -0.3621    0.8667) (    0.0189    0.0151    0.0127)
 a3 = (   -0.9253    0.2328   -0.1900) (    0.0168    0.0098    0.0067)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   -4.2778  110.7060 -122.0850    0.3628    0.8861    0.5913
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9356         4.4258
# Chi-squares at the beginning and the end of the refinement
    0.0348    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -2   -0.7294   -0.0583   -0.7289   -0.0565    0.0019    1
    2   -5    1    2   -0.0143   -0.1772   -0.0133   -0.1793    0.0024    1
    3    1    0   -1   -0.0249    0.0850   -0.0241    0.0824    0.0026    1
    4   -2    1    0   -0.1960   -0.5841   -0.1976   -0.5890    0.0052    1
    5   -3    1    2    0.0563   -0.2263    0.0566   -0.2258    0.0005    1
    6    1    0   -2   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -5    3    2    0.1184   -0.5954    0.1201   -0.5972    0.0025    1
    8   -2    1    2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    0    0   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    2    0.2254   -0.1267    0.2267   -0.1283    0.0020    1
   11   -3    3    2    0.5332   -0.6110    0.5314   -0.6143    0.0037    1
   12   -1    0   -2   -0.1822   -0.0383   -0.1815   -0.0378    0.0008    1
   13    0    1    2    0.1951   -0.0076    0.1981   -0.0091    0.0034    1
   14   -1    2    2    0.5263   -0.1467    0.5323   -0.1459    0.0061    1
   15   -3    1   -2   -0.3356   -0.2369   -0.3358   -0.2354    0.0015    1
   16    1    1    2    0.1222    0.0351    0.1256    0.0356    0.0034    1
   17   -1    3    2    0.7224   -0.0774    0.7260   -0.0804    0.0047    1
   18   -1    2    1    0.9352   -0.2768    1.0655   -0.4953    0.2544    0
   19    3    1    2    0.0399    0.0268    0.0407    0.0272    0.0009    1
   20    1    3    2    0.4362    0.1635    0.4436    0.1639    0.0073    1
   21   -1    0    0   -0.0361   -0.0610   -0.0357   -0.0605    0.0007    1
   22    1    1    0    0.2917    0.3264    0.2970    0.3320    0.0077    1
   23    3    1   -2    0.0347    0.2645    0.0342    0.2676    0.0032    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1   -2   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -5    1    2   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1    0   -1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -2    1    0   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5   -3    1    2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1    0   -2   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -5    3    2    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8   -2    1    2    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    0    0   -1   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    1    2    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11   -3    3    2    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12   -1    0   -2   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13    0    1    2    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -1    2    2    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -3    1   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16    1    1    2    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17   -1    3    2    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18   -1    2    1    0.9409   -0.2820    1.0655   -0.4953    0.2470    0
   19    3    1    2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    1    3    2    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21   -1    0    0   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    1    1    0    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    3    1   -2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.191                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.6016    1.3041    1.3419   88.8385   77.1175   77.1332      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.6051    1.3210    1.3203   87.1798   76.6792   76.8501      0.0000         0.4583    1.0005
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0026    0.0224    0.0275    0.8277    0.8544    1.0668      0.0000         0.0092    0.0249
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.1270   -1.7173   -0.3096)
 a2 = (    0.4473    0.2538   -0.5956)
 a3 = (    0.6156    0.0477    0.4514)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.1339   -1.7099   -0.3050) (    0.0162    0.0021    0.0101)
 a2 = (    0.4250    0.2501   -0.6010) (    0.0140    0.0110    0.0094)
 a3 = (    0.6265    0.0477    0.4594) (    0.0163    0.0096    0.0080)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -168.1279   58.3299   79.2243    0.4110    0.7893    0.6026
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.1409         4.4246
# Chi-squares at the beginning and the end of the refinement
    0.2121    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1    0    0   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1    0    1   -0.0229    0.0782   -0.0241    0.0824    0.0044    1
    4   -2   -1    2   -0.1861   -0.5874   -0.1976   -0.5890    0.0116    1
    5   -2   -1   -1    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6    2    1    4   -0.0981    0.1104   -0.1046    0.1173    0.0095    1
    7   -1   -1    0    0.1292   -0.5903    0.1201   -0.5972    0.0114    1
    8   -1   -1   -1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    1    2    5   -0.1848    0.0467   -0.1940    0.0483    0.0094    1
   10   -1   -2   -2    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11   -2   -4   -1    0.5351   -0.5901    0.5314   -0.6143    0.0245    1
   12    0    1    2   -0.1754   -0.0365   -0.1815   -0.0378    0.0063    1
   13   -1   -5   -5    0.1984   -0.0080    0.1981   -0.0091    0.0011    1
   14   -1   -4   -2    0.5924   -0.1242    0.5323   -0.1459    0.0639    0
   15   -1    1    4   -0.3321   -0.2364   -0.3358   -0.2354    0.0038    1
   16    0   -1   -1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -1   -5   -2    0.7060   -0.0746    0.7260   -0.0804    0.0208    1
   18   -2   -6   -1    0.8937   -0.5471    1.0655   -0.4953    0.1794    0
   19    1   -4   -4    0.0422    0.0282    0.0407    0.0272    0.0018    1
   20    0   -2   -1    0.4316    0.1587    0.4436    0.1639    0.0131    1
   21   -1    1    1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22    1   -4   -1    0.2904    0.3188    0.2970    0.3320    0.0148    1
   23    2   -2    1    0.0353    0.2580    0.0342    0.2676    0.0097    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7288   -0.0558   -0.7289   -0.0565    0.0007    1
    2   -1    0    0   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    1    0    1   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -2   -1    2   -0.1963   -0.5866   -0.1976   -0.5890    0.0027    1
    5   -2   -1   -1    0.0573   -0.2268    0.0566   -0.2258    0.0012    1
    6    2    1    4   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -1   -1    0    0.1194   -0.5972    0.1201   -0.5972    0.0007    1
    8   -1   -1   -1    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1    2    5   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10   -1   -2   -2    0.2266   -0.1283    0.2267   -0.1283    0.0001    1
   11   -2   -4   -1    0.5336   -0.6146    0.5314   -0.6143    0.0022    1
   12    0    1    2   -0.1813   -0.0377   -0.1815   -0.0378    0.0002    1
   13   -1   -5   -5    0.1977   -0.0088    0.1981   -0.0091    0.0005    1
   14   -1   -4   -2    0.6066   -0.1324    0.5323   -0.1459    0.0756    0
   15   -1    1    4   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16    0   -1   -1    0.1250    0.0350    0.1256    0.0356    0.0008    1
   17   -1   -5   -2    0.7283   -0.0820    0.7260   -0.0804    0.0028    1
   18   -2   -6   -1    0.9137   -0.5880    1.0655   -0.4953    0.1778    0
   19    1   -4   -4    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20    0   -2   -1    0.4425    0.1637    0.4436    0.1639    0.0011    1
   21   -1    1    1   -0.0352   -0.0607   -0.0357   -0.0605    0.0005    1
   22    1   -4   -1    0.2957    0.3307    0.2970    0.3320    0.0018    1
   23    2   -2    1    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.194                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8525    1.0778    1.2642   65.1497   82.1486   71.5783      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8550    1.0700    1.2635   65.3979   82.4263   72.0810      0.0000         0.6767    0.8468
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0041    0.0165    0.0172    0.9862    1.2787    0.8524      0.0000         0.0093    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    1.0412   -0.5894   -0.3117)
 a2 = (    0.1305    1.0222   -0.2790)
 a3 = (    0.1596   -0.1557    0.8428)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    1.0391   -0.5797   -0.3086) (    0.0065    0.0111    0.0081)
 a2 = (    0.1358    1.0263   -0.2742) (    0.0159    0.0197    0.0080)
 a3 = (    0.1574   -0.1579    0.8414) (    0.0181    0.0153    0.0111)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -143.5715   25.0082  117.0647    1.0409    0.3749    1.1966
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0000    0.0043    0.0000      0.0032    0.0027    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.7891         4.2422
# Chi-squares at the beginning and the end of the refinement
    0.5518    0.2872
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    2   -0.7296   -0.0594   -0.7289   -0.0565    0.0030    1
    2   -1    4    2    0.0092   -0.2014   -0.0133   -0.1793    0.0315    0
    3    1   -2    0   -0.0255    0.0859   -0.0241    0.0824    0.0038    1
    4    0    1    1   -0.1959   -0.5851   -0.1976   -0.5890    0.0043    1
    5   -1    2    1    0.0567   -0.2265    0.0566   -0.2258    0.0007    1
    6    2   -1    1   -0.1051    0.1173   -0.1046    0.1173    0.0005    1
    7   -1    2    2    0.1183   -0.5962    0.1201   -0.5972    0.0020    1
    8   -3    2    1    0.1594   -0.2157    0.1441   -0.2219    0.0166    1
    9    4    1    3   -0.1838    0.0694   -0.1940    0.0483    0.0234    0
   10   -1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1    2    0.5314   -0.6151    0.5314   -0.6143    0.0008    1
   12    1    1    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -4   -2   -1    0.2076   -0.0212    0.1981   -0.0091    0.0154    1
   14   -4   -1    1    0.5296   -0.1511    0.5323   -0.1459    0.0058    1
   15    1    2    2   -0.3361   -0.2371   -0.3358   -0.2354    0.0017    1
   16   -2   -2   -1    0.1252    0.0355    0.1256    0.0356    0.0004    1
   17   -3   -1    1    0.6413   -0.1224    0.7260   -0.0804    0.0945    0
   18   -1    0    1    1.0543   -0.5187    1.0655   -0.4953    0.0260    1
   19   -2   -5   -2    0.0453    0.0537    0.0407    0.0272    0.0268    0
   20   -1   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1    4    2   -0.0354   -0.0600   -0.0357   -0.0605    0.0006    1
   22   -1   -2    0    0.2970    0.3319    0.2970    0.3320    0.0002    1
   23    0   -1    0    0.0343    0.2685    0.0342    0.2676    0.0009    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    2   -0.7328   -0.0600   -0.7289   -0.0565    0.0052    1
    2   -1    4    2    0.0085   -0.2000   -0.0133   -0.1793    0.0301    0
    3    1   -2    0   -0.0245    0.0883   -0.0241    0.0824    0.0059    1
    4    0    1    1   -0.1979   -0.5820   -0.1976   -0.5890    0.0070    1
    5   -1    2    1    0.0565   -0.2248    0.0566   -0.2258    0.0009    1
    6    2   -1    1   -0.1057    0.1223   -0.1046    0.1173    0.0052    1
    7   -1    2    2    0.1173   -0.5956    0.1201   -0.5972    0.0032    1
    8   -3    2    1    0.1604   -0.2124    0.1441   -0.2219    0.0189    1
    9    4    1    3   -0.1874    0.0738   -0.1940    0.0483    0.0264    0
   10   -1    0    0    0.2265   -0.1220    0.2267   -0.1283    0.0063    1
   11   -2    1    2    0.5365   -0.6121    0.5314   -0.6143    0.0055    1
   12    1    1    1   -0.1854   -0.0358   -0.1815   -0.0378    0.0043    1
   13   -4   -2   -1    0.2036   -0.0145    0.1981   -0.0091    0.0077    1
   14   -4   -1    1    0.5286   -0.1407    0.5323   -0.1459    0.0064    1
   15    1    2    2   -0.3372   -0.2357   -0.3358   -0.2354    0.0014    1
   16   -2   -2   -1    0.1191    0.0392    0.1256    0.0356    0.0074    1
   17   -3   -1    1    0.6389   -0.1102    0.7260   -0.0804    0.0921    0
   18   -1    0    1    1.0614   -0.5035    1.0655   -0.4953    0.0092    1
   19   -2   -5   -2    0.0412    0.0533    0.0407    0.0272    0.0261    0
   20   -1   -1    0    0.4335    0.1691    0.4436    0.1639    0.0114    1
   21    1    4    2   -0.0378   -0.0597   -0.0357   -0.0605    0.0023    1
   22   -1   -2    0    0.2890    0.3291    0.2970    0.3320    0.0085    1
   23    0   -1    0    0.0348    0.2669    0.0342    0.2676    0.0009    1

###            No.195                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8591    1.0774    1.2435   65.7566   84.5113   72.4246      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8550    1.0700    1.2711   64.6644   82.6478   72.0810      0.0000         0.6727    0.8418
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0041    0.0165    0.0210    1.1381    1.3549    0.8524      0.0000         0.0117    0.0107
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.0287    0.5824    0.3080)
 a2 = (   -0.2873   -0.8564   -0.5612)
 a3 = (    0.1294   -0.1644    0.8573)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0391    0.5797    0.3086) (    0.0065    0.0111    0.0081)
 a2 = (   -0.2932   -0.8684   -0.5672) (    0.0122    0.0130    0.0087)
 a3 = (    0.1574   -0.1579    0.8414) (    0.0181    0.0153    0.0111)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  152.1272   32.4771   -5.1150    0.7715    0.3969    0.8737
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0000    0.0043    0.0000      0.0032    0.0027    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.5627         4.2422
# Chi-squares at the beginning and the end of the refinement
    0.8693    0.2872
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7639   -0.0579   -0.7289   -0.0565    0.0350    0
    2    1   -4   -2    0.0062   -0.1930   -0.0133   -0.1793    0.0238    0
    3   -1    2    2   -0.0274    0.1009   -0.0241    0.0824    0.0188    0
    4    0   -1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5    1   -2   -1    0.0523   -0.2206    0.0566   -0.2258    0.0067    1
    6   -2    1    2   -0.1131    0.1310   -0.1046    0.1173    0.0162    1
    7    1   -2    0    0.1186   -0.5997    0.1201   -0.5972    0.0029    1
    8    3   -2   -1    0.1561   -0.2143    0.1441   -0.2219    0.0143    1
    9   -4   -1    2   -0.1948    0.0753   -0.1940    0.0483    0.0270    0
   10    1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -1    1    0.5436   -0.6152    0.5314   -0.6143    0.0123    1
   12   -1   -1    0   -0.1844   -0.0384   -0.1815   -0.0378    0.0029    1
   13    4    2    1    0.2099   -0.0208    0.1981   -0.0091    0.0166    1
   14    4    1    2    0.5349   -0.1477    0.5323   -0.1459    0.0031    1
   15   -1   -2    0   -0.3393   -0.2392   -0.3358   -0.2354    0.0051    1
   16    2    2    1    0.1297    0.0369    0.1256    0.0356    0.0043    1
   17    3    1    2    0.6459   -0.1166    0.7260   -0.0804    0.0879    0
   18    1    0    1    1.0655   -0.4953    1.0655   -0.4953    0.0000    1
   19    3    3    1    0.0240    0.0062    0.0407    0.0272    0.0269    0
   20    1    1    1    0.4479    0.1655    0.4436    0.1639    0.0047    1
   21   -1   -4   -2   -0.0310   -0.0513   -0.0357   -0.0605    0.0104    1
   22    1    2    2    0.3075    0.3336    0.2970    0.3320    0.0106    1
   23    0    1    1    0.0438    0.2833    0.0342    0.2676    0.0184    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7328   -0.0600   -0.7289   -0.0565    0.0052    1
    2    1   -4   -2    0.0085   -0.2000   -0.0133   -0.1793    0.0301    0
    3   -1    2    2   -0.0245    0.0883   -0.0241    0.0824    0.0059    1
    4    0   -1    0   -0.1979   -0.5820   -0.1976   -0.5890    0.0070    1
    5    1   -2   -1    0.0565   -0.2248    0.0566   -0.2258    0.0009    1
    6   -2    1    2   -0.1057    0.1223   -0.1046    0.1173    0.0052    1
    7    1   -2    0    0.1173   -0.5956    0.1201   -0.5972    0.0032    1
    8    3   -2   -1    0.1604   -0.2124    0.1441   -0.2219    0.0189    1
    9   -4   -1    2   -0.1874    0.0738   -0.1940    0.0483    0.0264    0
   10    1    0    0    0.2265   -0.1220    0.2267   -0.1283    0.0063    1
   11    2   -1    1    0.5365   -0.6121    0.5314   -0.6143    0.0055    1
   12   -1   -1    0   -0.1854   -0.0358   -0.1815   -0.0378    0.0043    1
   13    4    2    1    0.2036   -0.0145    0.1981   -0.0091    0.0077    1
   14    4    1    2    0.5286   -0.1407    0.5323   -0.1459    0.0064    1
   15   -1   -2    0   -0.3372   -0.2357   -0.3358   -0.2354    0.0014    1
   16    2    2    1    0.1191    0.0392    0.1256    0.0356    0.0074    1
   17    3    1    2    0.6389   -0.1102    0.7260   -0.0804    0.0921    0
   18    1    0    1    1.0614   -0.5035    1.0655   -0.4953    0.0092    1
   19    2    5    3    0.0412    0.0533    0.0407    0.0272    0.0261    0
   20    1    1    1    0.4335    0.1691    0.4436    0.1639    0.0114    1
   21   -1   -4   -2   -0.0378   -0.0597   -0.0357   -0.0605    0.0023    1
   22    1    2    2    0.2890    0.3291    0.2970    0.3320    0.0085    1
   23    0    1    1    0.0348    0.2669    0.0342    0.2676    0.0009    1

###            No.196                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0431    1.0443    1.0890  100.1140  100.1627  116.5377      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0433    1.0468    1.0904  100.1628   99.8976  117.0427      0.0000         0.9568    0.9600
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0091    0.0166    0.0165    1.0643    0.8495    1.1296      0.0000         0.0176    0.0185
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.9427   -0.5337   -0.2822)
 a2 = (    0.3239   -0.8946    0.5872)
 a3 = (   -0.2633   -0.7848   -0.5143)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.9471   -0.5344   -0.2826) (    0.0053    0.0088    0.0062)
 a2 = (    0.3334   -0.8965    0.5841) (    0.0194    0.0202    0.0106)
 a3 = (   -0.2634   -0.7843   -0.5118) (    0.0122    0.0118    0.0074)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -18.6047  127.9697  -41.1363    0.4979    0.8056    0.7696
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.8620         4.1874
# Chi-squares at the beginning and the end of the refinement
    0.0347    0.0107
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -2   -0.7390   -0.0582   -0.7289   -0.0565    0.0102    1
    2    0   -1   -2   -0.0146   -0.1779   -0.0133   -0.1793    0.0020    1
    3    1    3    2   -0.0252    0.0869   -0.0241    0.0824    0.0046    1
    4    0    0   -1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1   -1   -2    0.0562   -0.2275    0.0566   -0.2258    0.0017    1
    6    1    1    0   -0.1060    0.1195   -0.1046    0.1173    0.0026    1
    7   -1    0   -2    0.1186   -0.5997    0.1201   -0.5972    0.0029    1
    8   -3   -1   -2    0.1444   -0.2236    0.1441   -0.2219    0.0016    1
    9    3    1   -2   -0.1966    0.0495   -0.1940    0.0483    0.0028    1
   10   -1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -3    1   -2    0.5356   -0.6164    0.5314   -0.6143    0.0047    1
   12    1    0   -1   -0.1844   -0.0384   -0.1815   -0.0378    0.0029    1
   13   -5    1    2    0.1969   -0.0082    0.1981   -0.0091    0.0015    1
   14   -3    1    0    0.5303   -0.1496    0.5323   -0.1459    0.0042    1
   15    1    0   -2   -0.3393   -0.2392   -0.3358   -0.2354    0.0051    1
   16   -3    1    2    0.1237    0.0352    0.1256    0.0356    0.0019    1
   17   -2    1    0    0.7286   -0.0806    0.7260   -0.0804    0.0026    1
   18   -2    1   -1    0.8310   -0.6130    1.0655   -0.4953    0.2624    0
   19   -2    1    2    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20   -5    3    2    0.4415    0.1639    0.4436    0.1639    0.0021    1
   21    1   -1   -2   -0.0362   -0.0609   -0.0357   -0.0605    0.0006    1
   22   -3    3    2    0.2961    0.3296    0.2970    0.3320    0.0026    1
   23   -1    3    2    0.0359    0.2682    0.0342    0.2676    0.0018    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1   -2   -0.7286   -0.0558   -0.7289   -0.0565    0.0008    1
    2    0   -1   -2   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    1    3    2   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    0    0   -1   -0.1965   -0.5867   -0.1976   -0.5890    0.0025    1
    5   -1   -1   -2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1    1    0   -0.1043    0.1167   -0.1046    0.1173    0.0007    1
    7   -1    0   -2    0.1198   -0.5975    0.1201   -0.5972    0.0005    1
    8   -3   -1   -2    0.1451   -0.2225    0.1441   -0.2219    0.0011    1
    9    3    1   -2   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    0    0    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11   -3    1   -2    0.5349   -0.6141    0.5314   -0.6143    0.0034    1
   12    1    0   -1   -0.1812   -0.0378   -0.1815   -0.0378    0.0004    1
   13   -5    1    2    0.1976   -0.0086    0.1981   -0.0091    0.0008    1
   14   -3    1    0    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15    1    0   -2   -0.3365   -0.2367   -0.3358   -0.2354    0.0014    1
   16   -3    1    2    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17   -2    1    0    0.7279   -0.0806    0.7260   -0.0804    0.0019    1
   18   -2    1   -1    0.8298   -0.6118    1.0655   -0.4953    0.2629    0
   19   -2    1    2    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -5    3    2    0.4418    0.1640    0.4436    0.1639    0.0017    1
   21    1   -1   -2   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22   -3    3    2    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23   -1    3    2    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.197                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0348    1.0457    1.0983   99.5665  100.3120  116.9548      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0434    1.0436    1.0924   99.9169   99.9602  117.0262      0.0000         0.9551    0.9553
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0082    0.0167    0.0224    1.0046    0.9939    0.7836      0.0000         0.0173    0.0207
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0539   -0.6158   -0.9490)
 a2 = (   -0.8959   -0.0781   -0.6647)
 a3 = (    0.1452    0.6182   -0.7260)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0431   -0.6045   -0.9454) (    0.0181    0.0099    0.0063)
 a2 = (   -0.9035   -0.0688   -0.6626) (    0.0217    0.0133    0.0081)
 a3 = (    0.1396    0.6285   -0.7254) (    0.0187    0.0210    0.0093)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.1291  120.1799  159.1877    0.9511    0.6890    0.5991
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.6045         4.1530
# Chi-squares at the beginning and the end of the refinement
    0.0505    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7363   -0.0642   -0.7289   -0.0565    0.0107    1
    2   -1    0    1   -0.0133   -0.1797   -0.0133   -0.1793    0.0004    1
    3    2   -1   -2   -0.0251    0.0841   -0.0241    0.0824    0.0019    1
    4   -3   -1    2   -0.1910   -0.5894   -0.1976   -0.5890    0.0066    1
    5   -3    1    2    0.0582   -0.2281    0.0566   -0.2258    0.0028    1
    6    3   -3   -2   -0.1045    0.1164   -0.1046    0.1173    0.0009    1
    7   -5    1    2    0.1228   -0.5949    0.1201   -0.5972    0.0036    1
    8   -5    3    2    0.1457   -0.2230    0.1441   -0.2219    0.0020    1
    9    1   -2    0   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -2    1    0    0.5294   -0.6085    0.5314   -0.6143    0.0061    1
   12    1   -5    2   -0.1831   -0.0384   -0.1815   -0.0378    0.0017    1
   13   -3    5   -2    0.1975   -0.0088    0.1981   -0.0091    0.0007    1
   14   -3    3   -1    0.4749   -0.1578    0.5323   -0.1459    0.0586    0
   15   -1   -3    2   -0.3378   -0.2411   -0.3358   -0.2354    0.0060    1
   16   -1    3   -2    0.1244    0.0351    0.1256    0.0356    0.0013    1
   17   -3    3   -2    0.7237   -0.0868    0.7260   -0.0804    0.0069    1
   18   -3    2   -1    0.8475   -0.4333    1.0655   -0.4953    0.2266    0
   19    0    1   -1    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20   -1    2   -2    0.4431    0.1612    0.4436    0.1639    0.0027    1
   21   -1   -1    2   -0.0365   -0.0623   -0.0357   -0.0605    0.0019    1
   22    0    1   -2    0.2979    0.3302    0.2970    0.3320    0.0021    1
   23    1    0   -2    0.0341    0.2673    0.0342    0.2676    0.0004    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0   -1    0   -0.7288   -0.0558   -0.7289   -0.0565    0.0007    1
    2   -1    0    1   -0.0135   -0.1776   -0.0133   -0.1793    0.0017    1
    3    2   -1   -2   -0.0249    0.0851   -0.0241    0.0824    0.0028    1
    4   -3   -1    2   -0.1963   -0.5866   -0.1976   -0.5890    0.0027    1
    5   -3    1    2    0.0573   -0.2268    0.0566   -0.2258    0.0012    1
    6    3   -3   -2   -0.1041    0.1167   -0.1046    0.1173    0.0008    1
    7   -5    1    2    0.1194   -0.5972    0.1201   -0.5972    0.0007    1
    8   -5    3    2    0.1449   -0.2226    0.1441   -0.2219    0.0011    1
    9    1   -2    0   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10   -1    1    0    0.2266   -0.1283    0.2267   -0.1283    0.0001    1
   11   -2    1    0    0.5336   -0.6146    0.5314   -0.6143    0.0022    1
   12    1   -5    2   -0.1813   -0.0377   -0.1815   -0.0378    0.0002    1
   13   -3    5   -2    0.1977   -0.0088    0.1981   -0.0091    0.0005    1
   14   -3    3   -1    0.4771   -0.1569    0.5323   -0.1459    0.0562    0
   15   -1   -3    2   -0.3367   -0.2368   -0.3358   -0.2354    0.0017    1
   16   -1    3   -2    0.1250    0.0350    0.1256    0.0356    0.0008    1
   17   -3    3   -2    0.7283   -0.0820    0.7260   -0.0804    0.0028    1
   18   -3    2   -1    0.8590   -0.4335    1.0655   -0.4953    0.2155    0
   19    0    1   -1    0.0420    0.0275    0.0407    0.0272    0.0013    1
   20   -1    2   -2    0.4425    0.1637    0.4436    0.1639    0.0011    1
   21   -1   -1    2   -0.0352   -0.0607   -0.0357   -0.0605    0.0005    1
   22    0    1   -2    0.2957    0.3307    0.2970    0.3320    0.0018    1
   23    1    0   -2    0.0343    0.2669    0.0342    0.2676    0.0007    1

###            No.199                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7027    1.0006    1.4222   89.8898   89.9296   89.8649      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7080    0.9964    1.4176   90.2938   89.8190   90.2371      0.0000         0.4994    0.7029
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0001    0.0141    0.0335    1.3535    0.8338    1.1803      0.0000         0.0118    0.0157
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.0527    0.7702    1.1954)
 a2 = (   -0.9534   -0.2704    0.1294)
 a3 = (    0.2104   -0.5602    0.3692)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.0600    0.7575    1.1906) (    0.0202    0.0114    0.0073)
 a2 = (   -0.9572   -0.2723    0.1299) (    0.0141    0.0113    0.0080)
 a3 = (    0.2069   -0.5654    0.3675) (    0.0142    0.0164    0.0073)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   81.4999   58.4650   20.4735    0.8336    0.5712    0.6671
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0002   -0.0001    0.0000      0.0033    0.0038    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         4.2898         4.1292
# Chi-squares at the beginning and the end of the refinement
    0.0928    0.0208
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -2    2   -0.7312   -0.0613   -0.7289   -0.0565    0.0053    1
    2    2   -1   -4   -0.0003   -0.1937   -0.0133   -0.1793    0.0194    0
    3   -1    0    4   -0.0255    0.0859   -0.0241    0.0824    0.0037    1
    4    3   -2   -2   -0.1960   -0.5864   -0.1976   -0.5890    0.0031    1
    5    1    0   -2    0.0570   -0.2275    0.0566   -0.2258    0.0017    1
    6   -1   -2    6   -0.1054    0.1174   -0.1046    0.1173    0.0007    1
    7    1    0   -1    0.1182   -0.5977    0.1201   -0.5972    0.0020    1
    8    2    1   -4    0.1244   -0.2299    0.1441   -0.2219    0.0212    0
    9    0   -1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1    2   -2    0.2275   -0.1290    0.2267   -0.1283    0.0011    1
   11    3    2   -2    0.5314   -0.6179    0.5314   -0.6143    0.0036    1
   12    1   -5    1   -0.1693   -0.0537   -0.1815   -0.0378    0.0201    0
   13    1    4   -2    0.2195   -0.0414    0.1981   -0.0091    0.0387    0
   14    2    4   -1    0.5796   -0.1430    0.5323   -0.1459    0.0474    0
   15    1   -2    0   -0.3368   -0.2382   -0.3358   -0.2354    0.0030    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1    2    0    0.7321   -0.0857    0.7260   -0.0804    0.0081    1
   18    1    1    0    1.0561   -0.5247    1.0655   -0.4953    0.0309    1
   19    0    4   -1    0.0362    0.0047    0.0407    0.0272    0.0230    0
   20    1    5    1    0.4520    0.1120    0.4436    0.1639    0.0525    0
   21    1   -2   -2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    1    1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1    2    6    0.0341    0.2693    0.0342    0.2676    0.0017    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -2    2   -0.7304   -0.0552   -0.7289   -0.0565    0.0020    1
    2    2   -1   -4   -0.0006   -0.1930   -0.0133   -0.1793    0.0186    0
    3   -1    0    4   -0.0252    0.0851   -0.0241    0.0824    0.0029    1
    4    3   -2   -2   -0.1965   -0.5871   -0.1976   -0.5890    0.0021    1
    5    1    0   -2    0.0568   -0.2270    0.0566   -0.2258    0.0013    1
    6   -1   -2    6   -0.1041    0.1165   -0.1046    0.1173    0.0009    1
    7    1    0   -1    0.1205   -0.5979    0.1201   -0.5972    0.0008    1
    8    2    1   -4    0.1245   -0.2294    0.1441   -0.2219    0.0210    0
    9    0   -1    1   -0.1921    0.0482   -0.1940    0.0483    0.0019    1
   10    1    2   -2    0.2273   -0.1281    0.2267   -0.1283    0.0007    1
   11    3    2   -2    0.5368   -0.6121    0.5314   -0.6143    0.0058    1
   12    1   -5    1   -0.1677   -0.0529   -0.1815   -0.0378    0.0204    0
   13    1    4   -2    0.2189   -0.0408    0.1981   -0.0091    0.0379    0
   14    2    4   -1    0.5766   -0.1377    0.5323   -0.1459    0.0451    0
   15    1   -2    0   -0.3363   -0.2361   -0.3358   -0.2354    0.0009    1
   16    0    1    0    0.1254    0.0356    0.1256    0.0356    0.0002    1
   17    1    2    0    0.7260   -0.0784    0.7260   -0.0804    0.0020    1
   18    1    1    0    1.0574   -0.5046    1.0655   -0.4953    0.0123    1
   19    0    4   -1    0.0369    0.0047    0.0407    0.0272    0.0228    0
   20    1    4    1    0.5326    0.1297    0.4436    0.1639    0.0953    0
   21    1   -2   -2   -0.0354   -0.0596   -0.0357   -0.0605    0.0009    1
   22    0    1    1    0.2950    0.3294    0.2970    0.3320    0.0033    1
   23   -1    2    6    0.0347    0.2668    0.0342    0.2676    0.0010    1

###            No.200                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9318    1.0886    1.1053   89.1569   70.4217   72.0470      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9127    1.0990    1.0998   90.0049   72.6570   72.5983      0.0000         0.8299    0.9992
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0088    0.0157    0.0166    0.8700    1.0956    1.3091      0.0000         0.0151    0.0163
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2229   -0.2690    1.1513)
 a2 = (    0.8229    0.3040   -0.4148)
 a3 = (   -0.2700    0.9227   -0.0826)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2223   -0.2214    1.1672) (    0.0265    0.0222    0.0058)
 a2 = (    0.8126    0.3016   -0.4084) (    0.0155    0.0109    0.0068)
 a3 = (   -0.2712    0.9140   -0.0846) (    0.0114    0.0156    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   97.6782   77.0241 -165.8720    1.3055    1.0233    0.5510
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0000    0.0000      0.0025    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.7529         4.1226
# Chi-squares at the beginning and the end of the refinement
    0.3907    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7034   -0.0235   -0.7289   -0.0565    0.0417    0
    2    1    1    3   -0.0146   -0.1732   -0.0133   -0.1793    0.0063    1
    3    0    0   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    3    2    4   -0.2065   -0.5840   -0.1976   -0.5890    0.0102    1
    5    1    0    4    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    1    2   -4   -0.0964    0.1096   -0.1046    0.1173    0.0112    1
    7    1    0    2    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8    1   -1    5    0.1117   -0.2315    0.1441   -0.2219    0.0337    0
    9    1    2   -1   -0.1759    0.0480   -0.1940    0.0483    0.0182    1
   10    0   -1    1    0.2302   -0.1303    0.2267   -0.1283    0.0041    1
   11    1   -1    2    0.5472   -0.6108    0.5314   -0.6143    0.0161    1
   12    1    2    0   -0.1666   -0.0302   -0.1815   -0.0378    0.0167    1
   13   -1   -5    1    0.1815    0.0129    0.1981   -0.0091    0.0276    0
   14    1   -4    3    0.5956   -0.1970    0.5323   -0.1459    0.0813    0
   15    3    4    2   -0.3321   -0.2189   -0.3358   -0.2354    0.0169    1
   16   -1   -4    0    0.1348    0.0363    0.1256    0.0356    0.0092    1
   17    1   -4    2    0.7258   -0.0725    0.7260   -0.0804    0.0078    1
   18    2   -3    3    0.9574   -0.4455    1.0655   -0.4953    0.1190    0
   19   -1   -3   -1    0.0512    0.0331    0.0407    0.0272    0.0120    1
   20    0   -1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1    2    2   -0.0318   -0.0523   -0.0357   -0.0605    0.0091    1
   22    0   -2   -1    0.2963    0.3296    0.2970    0.3320    0.0025    1
   23    0   -1   -2    0.0349    0.2652    0.0342    0.2676    0.0025    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    1    0   -0.7284   -0.0565   -0.7289   -0.0565    0.0005    1
    2    1    1    3   -0.0135   -0.1778   -0.0133   -0.1793    0.0015    1
    3    0    0   -1   -0.0248    0.0851   -0.0241    0.0824    0.0028    1
    4    3    2    4   -0.1965   -0.5865   -0.1976   -0.5890    0.0027    1
    5    1    0    4    0.0575   -0.2270    0.0566   -0.2258    0.0015    1
    6    1    2   -4   -0.1041    0.1168   -0.1046    0.1173    0.0007    1
    7    1    0    2    0.1195   -0.5975    0.1201   -0.5972    0.0007    1
    8    1   -1    5    0.1117   -0.2313    0.1441   -0.2219    0.0337    0
    9    1    2   -1   -0.1927    0.0485   -0.1940    0.0483    0.0014    1
   10    0   -1    1    0.2269   -0.1280    0.2267   -0.1283    0.0004    1
   11    1   -1    2    0.5340   -0.6146    0.5314   -0.6143    0.0025    1
   12    1    2    0   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -1   -5    1    0.1727    0.0141    0.1981   -0.0091    0.0344    0
   14    1   -4    3    0.5940   -0.2030    0.5323   -0.1459    0.0840    0
   15    3    4    2   -0.3366   -0.2367   -0.3358   -0.2354    0.0016    1
   16   -1   -4    0    0.1248    0.0353    0.1256    0.0356    0.0009    1
   17    1   -4    2    0.7283   -0.0816    0.7260   -0.0804    0.0026    1
   18    2   -3    3    0.9451   -0.4693    1.0655   -0.4953    0.1232    0
   19   -1   -3   -1    0.0417    0.0276    0.0407    0.0272    0.0010    1
   20    0   -1    0    0.4422    0.1640    0.4436    0.1639    0.0014    1
   21    1    2    2   -0.0354   -0.0608   -0.0357   -0.0605    0.0003    1
   22    0   -2   -1    0.2956    0.3307    0.2970    0.3320    0.0018    1
   23    0   -1   -2    0.0343    0.2670    0.0342    0.2676    0.0007    1

###            No.201                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9165    1.0974    1.0986   89.9775   71.8926   73.1151      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9127    1.0998    1.0990   90.0049   72.5983   72.6570      0.0000         0.8305    1.0008
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0088    0.0166    0.0157    0.8700    1.3091    1.0956      0.0000         0.0129    0.0163
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2079    0.2199   -1.1670)
 a2 = (    0.2678   -0.9151    0.0819)
 a3 = (   -0.8161   -0.3015    0.4114)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2223    0.2214   -1.1672) (    0.0265    0.0222    0.0058)
 a2 = (    0.2712   -0.9140    0.0846) (    0.0114    0.0156    0.0060)
 a3 = (   -0.8126   -0.3016    0.4084) (    0.0155    0.0109    0.0068)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -103.0886   82.5179  -74.1428    1.0072    1.2566    0.6921
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0000    0.0000      0.0025    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7774         4.1226
# Chi-squares at the beginning and the end of the refinement
    0.0285    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7333   -0.0584   -0.7289   -0.0565    0.0048    1
    2   -1   -3   -1   -0.0140   -0.1793   -0.0133   -0.1793    0.0007    1
    3    0    1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -3   -4   -2   -0.1936   -0.5887   -0.1976   -0.5890    0.0041    1
    5   -1   -4    0    0.0576   -0.2296    0.0566   -0.2258    0.0039    1
    6   -1    4   -2   -0.1018    0.1146   -0.1046    0.1173    0.0039    1
    7   -1   -2    0    0.1217   -0.5983    0.1201   -0.5972    0.0020    1
    8   -1   -5    1    0.1125   -0.2343    0.1441   -0.2219    0.0339    0
    9   -1    1   -2   -0.1900    0.0480   -0.1940    0.0483    0.0040    1
   10    0   -1    1    0.2302   -0.1303    0.2267   -0.1283    0.0041    1
   11   -1   -2    1    0.5356   -0.6129    0.5314   -0.6143    0.0044    1
   12   -1    0   -2   -0.1793   -0.0373   -0.1815   -0.0378    0.0023    1
   13    1   -1    5    0.1762    0.0144    0.1981   -0.0091    0.0322    0
   14   -1   -3    4    0.5955   -0.2036    0.5323   -0.1459    0.0855    0
   15   -3   -2   -4   -0.3359   -0.2381   -0.3358   -0.2354    0.0027    1
   16    1    0    4    0.1275    0.0362    0.1256    0.0356    0.0020    1
   17   -1   -2    4    0.7282   -0.0820    0.7260   -0.0804    0.0027    1
   18   -2   -3    3    0.9418   -0.4653    1.0655   -0.4953    0.1273    0
   19    1    1    3    0.0431    0.0288    0.0407    0.0272    0.0028    1
   20    0    0    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1   -2   -2   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    1    2    0.2963    0.3296    0.2970    0.3320    0.0025    1
   23    0    2    1    0.0349    0.2652    0.0342    0.2676    0.0025    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    0   -1   -0.7284   -0.0565   -0.7289   -0.0565    0.0005    1
    2   -1   -3   -1   -0.0135   -0.1778   -0.0133   -0.1793    0.0015    1
    3    0    1    0   -0.0248    0.0851   -0.0241    0.0824    0.0028    1
    4   -3   -4   -2   -0.1965   -0.5865   -0.1976   -0.5890    0.0027    1
    5   -1   -4    0    0.0575   -0.2270    0.0566   -0.2258    0.0015    1
    6   -1    4   -2   -0.1041    0.1168   -0.1046    0.1173    0.0007    1
    7   -1   -2    0    0.1195   -0.5975    0.1201   -0.5972    0.0007    1
    8   -1   -5    1    0.1117   -0.2313    0.1441   -0.2219    0.0337    0
    9   -1    1   -2   -0.1927    0.0485   -0.1940    0.0483    0.0014    1
   10    0   -1    1    0.2269   -0.1280    0.2267   -0.1283    0.0004    1
   11   -1   -2    1    0.5340   -0.6146    0.5314   -0.6143    0.0025    1
   12   -1    0   -2   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13    1   -1    5    0.1727    0.0141    0.1981   -0.0091    0.0344    0
   14   -1   -3    4    0.5940   -0.2030    0.5323   -0.1459    0.0840    0
   15   -3   -2   -4   -0.3366   -0.2367   -0.3358   -0.2354    0.0016    1
   16    1    0    4    0.1248    0.0353    0.1256    0.0356    0.0009    1
   17   -1   -2    4    0.7283   -0.0816    0.7260   -0.0804    0.0026    1
   18   -2   -3    3    0.9451   -0.4693    1.0655   -0.4953    0.1232    0
   19    1    1    3    0.0417    0.0276    0.0407    0.0272    0.0010    1
   20    0    0    1    0.4422    0.1640    0.4436    0.1639    0.0014    1
   21   -1   -2   -2   -0.0354   -0.0608   -0.0357   -0.0605    0.0003    1
   22    0    1    2    0.2956    0.3307    0.2970    0.3320    0.0018    1
   23    0    2    1    0.0343    0.2670    0.0342    0.2676    0.0007    1

###            No.202                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9141    1.0992    1.1000   90.0780  107.1123  107.9162      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9127    1.0990    1.0998   90.0049  107.3430  107.4017      0.0000         0.8299    0.9992
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0088    0.0157    0.0166    0.8700    1.0956    1.3091      0.0000         0.0151    0.0163
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2112   -0.2188    1.1703)
 a2 = (   -0.8149   -0.3010    0.4108)
 a3 = (    0.2674   -0.9138    0.0868)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2223   -0.2214    1.1672) (    0.0265    0.0222    0.0058)
 a2 = (   -0.8126   -0.3016    0.4084) (    0.0155    0.0109    0.0068)
 a3 = (    0.2712   -0.9140    0.0846) (    0.0114    0.0156    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   82.3218  102.9759   14.1280    1.3055    1.0233    0.5510
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0005    0.0000    0.0000      0.0025    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.8645         4.1226
# Chi-squares at the beginning and the end of the refinement
    0.0251    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7355   -0.0589   -0.7289   -0.0565    0.0070    1
    2    1   -1   -3   -0.0139   -0.1757   -0.0133   -0.1793    0.0037    1
    3    0    0    1   -0.0256    0.0875   -0.0241    0.0824    0.0053    1
    4    3   -2   -4   -0.1943   -0.5860   -0.1976   -0.5890    0.0044    1
    5    1    0   -4    0.0563   -0.2255    0.0566   -0.2258    0.0004    1
    6    1   -2    4   -0.1056    0.1187   -0.1046    0.1173    0.0018    1
    7    1    0   -2    0.1198   -0.5955    0.1201   -0.5972    0.0017    1
    8    1    1   -5    0.1104   -0.2304    0.1441   -0.2219    0.0347    0
    9    1   -2    1   -0.1943    0.0489   -0.1940    0.0483    0.0006    1
   10    0    1   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    1    1   -2    0.5330   -0.6123    0.5314   -0.6143    0.0026    1
   12    1   -2    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1    5   -1    0.1738    0.0142    0.1981   -0.0091    0.0337    0
   14    1    4   -3    0.5935   -0.2032    0.5323   -0.1459    0.0838    0
   15    3   -4   -2   -0.3363   -0.2378   -0.3358   -0.2354    0.0024    1
   16   -1    4    0    0.1261    0.0358    0.1256    0.0356    0.0005    1
   17    1    4   -2    0.7275   -0.0821    0.7260   -0.0804    0.0023    1
   18    2    3   -3    0.9413   -0.4668    1.0655   -0.4953    0.1274    0
   19   -1    3    1    0.0431    0.0288    0.0407    0.0272    0.0028    1
   20    0    1    0    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21    1   -2   -2   -0.0347   -0.0587   -0.0357   -0.0605    0.0021    1
   22    0    2    1    0.2979    0.3315    0.2970    0.3320    0.0011    1
   23    0    1    2    0.0355    0.2699    0.0342    0.2676    0.0026    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    0   -0.7284   -0.0565   -0.7289   -0.0565    0.0005    1
    2    1   -1   -3   -0.0135   -0.1778   -0.0133   -0.1793    0.0015    1
    3    0    0    1   -0.0248    0.0851   -0.0241    0.0824    0.0028    1
    4    3   -2   -4   -0.1965   -0.5865   -0.1976   -0.5890    0.0027    1
    5    1    0   -4    0.0575   -0.2270    0.0566   -0.2258    0.0015    1
    6    1   -2    4   -0.1041    0.1168   -0.1046    0.1173    0.0007    1
    7    1    0   -2    0.1195   -0.5975    0.1201   -0.5972    0.0007    1
    8    1    1   -5    0.1117   -0.2313    0.1441   -0.2219    0.0337    0
    9    1   -2    1   -0.1927    0.0485   -0.1940    0.0483    0.0014    1
   10    0    1   -1    0.2269   -0.1280    0.2267   -0.1283    0.0004    1
   11    1    1   -2    0.5340   -0.6146    0.5314   -0.6143    0.0025    1
   12    1   -2    0   -0.1814   -0.0376   -0.1815   -0.0378    0.0002    1
   13   -1    5   -1    0.1727    0.0141    0.1981   -0.0091    0.0344    0
   14    1    4   -3    0.5940   -0.2030    0.5323   -0.1459    0.0840    0
   15    3   -4   -2   -0.3366   -0.2367   -0.3358   -0.2354    0.0016    1
   16   -1    4    0    0.1248    0.0353    0.1256    0.0356    0.0009    1
   17    1    4   -2    0.7283   -0.0816    0.7260   -0.0804    0.0026    1
   18    2    3   -3    0.9451   -0.4693    1.0655   -0.4953    0.1232    0
   19   -1    3    1    0.0417    0.0276    0.0407    0.0272    0.0010    1
   20    0    1    0    0.4422    0.1640    0.4436    0.1639    0.0014    1
   21    1   -2   -2   -0.0354   -0.0608   -0.0357   -0.0605    0.0003    1
   22    0    2    1    0.2956    0.3307    0.2970    0.3320    0.0018    1
   23    0    1    2    0.0343    0.2670    0.0342    0.2676    0.0007    1

###            No.203                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7969    1.0740    1.2531  104.8879  100.3089   98.0829      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7980    1.0724    1.2510  104.7690  100.2661   97.7709      0.0000         0.6379    0.8572
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0038    0.0156    0.0294    1.2834    1.2056    1.4614      0.0000         0.0141    0.0168
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3044    0.3780    1.2067)
 a2 = (    0.4977    0.8444    0.0689)
 a3 = (   -0.5573    0.6248   -0.1310)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3067    0.3700    1.2049) (    0.0241    0.0172    0.0071)
 a2 = (    0.4988    0.8433    0.0688) (    0.0109    0.0153    0.0070)
 a3 = (   -0.5589    0.6239   -0.1312) (    0.0159    0.0150    0.0071)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   96.6484  110.7520 -122.1291    0.9719    0.9710    0.6662
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002    0.0002    0.0000      0.0034    0.0032    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.8678         4.1157
# Chi-squares at the beginning and the end of the refinement
    0.0314    0.0105
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2   -3   -0.7304   -0.0595   -0.7289   -0.0565    0.0033    1
    2    1    3    3    0.0213   -0.2111   -0.0133   -0.1793    0.0470    0
    3    0   -1   -2   -0.0250    0.0848   -0.0241    0.0824    0.0026    1
    4    1    2    0   -0.1956   -0.5851   -0.1976   -0.5890    0.0043    1
    5    1    2    3    0.0566   -0.2274    0.0566   -0.2258    0.0016    1
    6    0    0   -1   -0.1041    0.1167   -0.1046    0.1173    0.0007    1
    7    1    1    1    0.1176   -0.5965    0.1201   -0.5972    0.0026    1
    8    1    1    3    0.1108   -0.2321    0.1441   -0.2219    0.0348    0
    9    0    1   -2   -0.1930    0.0485   -0.1940    0.0483    0.0011    1
   10    1   -1    3    0.2274   -0.1294    0.2267   -0.1283    0.0013    1
   11    1    0    1    0.5303   -0.6171    0.5314   -0.6143    0.0030    1
   12    0    1   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1   -3    3    0.1739    0.0141    0.1981   -0.0091    0.0336    0
   14    2   -2    3    0.5309   -0.1526    0.5323   -0.1459    0.0068    1
   15    1    5   -3   -0.3362   -0.2376   -0.3358   -0.2354    0.0022    1
   16    1   -4    3    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    1   -1    1    0.7308   -0.0851    0.7260   -0.0804    0.0067    1
   18    3   -1    2    0.9497   -0.5788    1.0655   -0.4953    0.1427    0
   19    1   -5    4    0.0629    0.0168    0.0407    0.0272    0.0245    0
   20    1   -2    1    0.4444    0.1642    0.4436    0.1639    0.0009    1
   21    0    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    2   -5    0    0.2966    0.3319    0.2970    0.3320    0.0004    1
   23    1   -4   -3    0.0342    0.2673    0.0342    0.2676    0.0003    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2   -3   -0.7286   -0.0568   -0.7289   -0.0565    0.0004    1
    2    1    3    3    0.0218   -0.2109   -0.0133   -0.1793    0.0472    0
    3    0   -1   -2   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4    1    2    0   -0.1968   -0.5864   -0.1976   -0.5890    0.0027    1
    5    1    2    3    0.0572   -0.2270    0.0566   -0.2258    0.0014    1
    6    0    0   -1   -0.1043    0.1169   -0.1046    0.1173    0.0005    1
    7    1    1    1    0.1196   -0.5978    0.1201   -0.5972    0.0008    1
    8    1    1    3    0.1117   -0.2314    0.1441   -0.2219    0.0338    0
    9    0    1   -2   -0.1926    0.0484   -0.1940    0.0483    0.0014    1
   10    1   -1    3    0.2272   -0.1277    0.2267   -0.1283    0.0008    1
   11    1    0    1    0.5352   -0.6141    0.5314   -0.6143    0.0038    1
   12    0    1   -1   -0.1811   -0.0374   -0.1815   -0.0378    0.0006    1
   13    1   -3    3    0.1728    0.0145    0.1981   -0.0091    0.0346    0
   14    2   -2    3    0.5296   -0.1488    0.5323   -0.1459    0.0039    1
   15    1    5   -3   -0.3364   -0.2363   -0.3358   -0.2354    0.0011    1
   16    1   -4    3    0.1248    0.0356    0.1256    0.0356    0.0008    1
   17    1   -1    1    0.7278   -0.0801    0.7260   -0.0804    0.0018    1
   18    3   -1    2    0.9544   -0.5695    1.0655   -0.4953    0.1336    0
   19    1   -5    4    0.0624    0.0169    0.0407    0.0272    0.0241    0
   20    1   -2    1    0.4416    0.1643    0.4436    0.1639    0.0021    1
   21    0    1    0   -0.0355   -0.0603   -0.0357   -0.0605    0.0003    1
   22    2   -5    0    0.2954    0.3304    0.2970    0.3320    0.0022    1
   23    1   -4   -3    0.0345    0.2672    0.0342    0.2676    0.0005    1

###            No.205                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    1.0066    1.1080    1.1100   78.2994   63.5098   64.4930      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    1.0073    1.1255    1.1104   79.5837   63.1654   62.9615      0.0000         0.9071    1.0136
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0124    0.0217    0.0170    1.3989    0.8936    1.0576      0.0000         0.0115    0.0160
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6075   -0.7022   -0.7670)
 a2 = (    0.2021   -0.2054    0.9576)
 a3 = (   -0.9603   -0.2724    0.1303)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6315   -0.7105   -0.7792) (    0.0098    0.0092    0.0064)
 a2 = (    0.1605   -0.1848    0.9675) (    0.0208    0.0179    0.0115)
 a3 = (   -0.9623   -0.2722    0.1396) (    0.0129    0.0101    0.0063)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -39.3438   90.1367  -48.4789    0.3880    1.0226    0.7831
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0075   -0.0008    0.0000      0.0024    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.9877         4.1013
# Chi-squares at the beginning and the end of the refinement
    0.7765    0.2360
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7094   -0.0409   -0.7289   -0.0565    0.0250    1
    2   -4   -2   -3   -0.0022   -0.1887   -0.0133   -0.1793    0.0145    1
    3    5    4    3   -0.0136    0.0725   -0.0241    0.0824    0.0144    1
    4   -1    0   -1   -0.2091   -0.5776   -0.1976   -0.5890    0.0161    1
    5   -2   -1   -1    0.0543   -0.2238    0.0566   -0.2258    0.0030    1
    6    1    1    0   -0.1044    0.1170   -0.1046    0.1173    0.0004    1
    7   -5   -1   -2    0.1735   -0.5603    0.1201   -0.5972    0.0648    0
    8   -4   -2   -1    0.1220   -0.2273    0.1441   -0.2219    0.0227    0
    9    2    3   -3   -0.1892    0.0484   -0.1940    0.0483    0.0048    1
   10   -2   -1    1    0.2258   -0.1270    0.2267   -0.1283    0.0016    1
   11   -1    0    0    0.5404   -0.6247    0.5314   -0.6143    0.0137    1
   12    0    1   -3   -0.1769   -0.0351   -0.1815   -0.0378    0.0054    1
   13   -2   -1    3    0.2176   -0.0401    0.1981   -0.0091    0.0367    0
   14   -1    0    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -2    1   -5   -0.3334   -0.2253   -0.3358   -0.2354    0.0103    1
   16    0    0    1    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    1    3    0.7332   -0.0719    0.7260   -0.0804    0.0111    1
   18   -2    1    1    1.0886   -0.5113    1.0655   -0.4953    0.0281    1
   19    3    2    5    0.0316    0.0476    0.0407    0.0272    0.0223    0
   20    0    1    3    0.4394    0.1677    0.4436    0.1639    0.0057    1
   21   -2   -1   -3   -0.0338   -0.0560   -0.0357   -0.0605    0.0049    1
   22    2    3    5    0.2919    0.3313    0.2970    0.3320    0.0051    1
   23    1    1    1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    1   -1   -0.7404   -0.0579   -0.7289   -0.0565    0.0116    1
    2   -4   -2   -3   -0.0094   -0.1902   -0.0133   -0.1793    0.0116    1
    3    5    4    3   -0.0208    0.0737   -0.0241    0.0824    0.0093    1
    4   -1    0   -1   -0.2043   -0.5855   -0.1976   -0.5890    0.0075    1
    5   -2   -1   -1    0.0482   -0.2275    0.0566   -0.2258    0.0086    1
    6    1    1    0   -0.1119    0.1172   -0.1046    0.1173    0.0073    1
    7   -5   -1   -3    0.0442   -0.5471    0.1201   -0.5972    0.0909    0
    8   -4   -2   -1    0.1177   -0.2323    0.1441   -0.2219    0.0283    0
    9    2    3   -3   -0.1955    0.0462   -0.1940    0.0483    0.0026    1
   10   -2   -1    1    0.2258   -0.1312    0.2267   -0.1283    0.0030    1
   11   -1    0    0    0.5371   -0.6135    0.5314   -0.6143    0.0057    1
   12    0    1   -3   -0.1801   -0.0366   -0.1815   -0.0378    0.0018    1
   13   -2   -1    3    0.2192   -0.0423    0.1981   -0.0091    0.0393    0
   14   -1    0    1    0.5285   -0.1482    0.5323   -0.1459    0.0044    1
   15   -2    1   -5   -0.3382   -0.2324   -0.3358   -0.2354    0.0039    1
   16    0    0    1    0.1269    0.0372    0.1256    0.0356    0.0020    1
   17   -2    1    3    0.7226   -0.0776    0.7260   -0.0804    0.0044    1
   18   -2    1    1    1.0525   -0.4957    1.0655   -0.4953    0.0130    1
   19    3    2    5    0.0279    0.0519    0.0407    0.0272    0.0278    0
   20    0    1    3    0.4406    0.1638    0.4436    0.1639    0.0030    1
   21   -2   -1   -3   -0.0389   -0.0529   -0.0357   -0.0605    0.0083    1
   22    2    3    5    0.2975    0.3310    0.2970    0.3320    0.0012    1
   23    1    1    1    0.0326    0.2742    0.0342    0.2676    0.0068    1

###            No.206                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7962    1.0742    1.2517  104.8689  100.0852   97.8668      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8002    1.0725    1.2463  104.5979  100.1514   97.9568      0.0000         0.6420    0.8605
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0041    0.0142    0.0273    1.1320    0.8865    1.3612      0.0000         0.0143    0.0166
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.3558   -0.5578   -1.1185)
 a2 = (    0.8263   -0.4678   -0.2474)
 a3 = (   -0.1036   -0.8113    0.2214)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.3515   -0.5547   -1.1145) (    0.0202    0.0135    0.0080)
 a2 = (    0.8278   -0.4659   -0.2479) (    0.0119    0.0115    0.0078)
 a3 = (   -0.1060   -0.8138    0.2212) (    0.0127    0.0178    0.0071)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -95.8832   60.0100  -20.7115    0.9961    0.6396    0.6910
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0003    0.0000      0.0033    0.0032    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.7964         3.9211
# Chi-squares at the beginning and the end of the refinement
    0.0390    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7327   -0.0558   -0.7289   -0.0565    0.0039    1
    2   -1   -1   -3    0.0093   -0.2024   -0.0133   -0.1793    0.0323    0
    3    0    1    2   -0.0255    0.0859   -0.0241    0.0824    0.0038    1
    4   -1    0   -1   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -1   -2   -3    0.0571   -0.2273    0.0566   -0.2258    0.0016    1
    6   -1    4    3   -0.1052    0.1177   -0.1046    0.1173    0.0007    1
    7   -1   -1   -1    0.1197   -0.5992    0.1201   -0.5972    0.0020    1
    8   -1   -3   -3    0.0959   -0.2327    0.1441   -0.2219    0.0493    0
    9   -2    5    0   -0.1942    0.0490   -0.1940    0.0483    0.0007    1
   10    0   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1   -2    0    0.5348   -0.6159    0.5314   -0.6143    0.0037    1
   12   -1    2   -1   -0.1829   -0.0375   -0.1815   -0.0378    0.0013    1
   13    1   -5    3    0.1601    0.0218    0.1981   -0.0091    0.0490    0
   14   -1   -5    2    0.6373   -0.2039    0.5323   -0.1459    0.1199    0
   15   -1    1   -1   -0.3389   -0.2376   -0.3358   -0.2354    0.0038    1
   16    1   -4    3    0.1248    0.0352    0.1256    0.0356    0.0009    1
   17   -1   -5    3    0.7295   -0.0827    0.7260   -0.0804    0.0042    1
   18   -1   -2    1    1.0589   -0.5158    1.0655   -0.4953    0.0216    1
   19    1   -2    4    0.0450    0.0533    0.0407    0.0272    0.0264    0
   20    0   -1    1    0.4436    0.1639    0.4436    0.1639    0.0000    1
   21   -1    1   -3   -0.0359   -0.0608   -0.0357   -0.0605    0.0004    1
   22    0   -1    2    0.2970    0.3319    0.2970    0.3320    0.0002    1
   23    0    0    1    0.0343    0.2685    0.0342    0.2676    0.0009    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    0   -0.7308   -0.0553   -0.7289   -0.0565    0.0023    1
    2   -1   -1   -3    0.0091   -0.2017   -0.0133   -0.1793    0.0316    0
    3    0    1    2   -0.0253    0.0852   -0.0241    0.0824    0.0030    1
    4   -1    0   -1   -0.1964   -0.5874   -0.1976   -0.5890    0.0020    1
    5   -1   -2   -3    0.0568   -0.2270    0.0566   -0.2258    0.0012    1
    6   -1    4    3   -0.1043    0.1165   -0.1046    0.1173    0.0008    1
    7   -1   -1   -1    0.1205   -0.5980    0.1201   -0.5972    0.0009    1
    8   -1   -3   -3    0.0958   -0.2326    0.1441   -0.2219    0.0495    0
    9   -2    5    0   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10    0   -1    0    0.2273   -0.1283    0.2267   -0.1283    0.0006    1
   11   -1   -2    0    0.5369   -0.6124    0.5314   -0.6143    0.0058    1
   12   -1    2   -1   -0.1805   -0.0375   -0.1815   -0.0378    0.0010    1
   13    1   -5    3    0.1608    0.0220    0.1981   -0.0091    0.0486    0
   14   -1   -5    2    0.6362   -0.2002    0.5323   -0.1459    0.1172    0
   15   -1    1   -1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16    1   -4    3    0.1255    0.0355    0.1256    0.0356    0.0002    1
   17   -1   -5    3    0.7264   -0.0786    0.7260   -0.0804    0.0018    1
   18   -1   -2    1    1.0579   -0.5050    1.0655   -0.4953    0.0124    1
   19    1   -2    4    0.0454    0.0537    0.0407    0.0272    0.0268    0
   20    0   -1    1    0.4410    0.1641    0.4436    0.1639    0.0026    1
   21   -1    1   -3   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22    0   -1    2    0.2951    0.3296    0.2970    0.3320    0.0030    1
   23    0    0    1    0.0347    0.2670    0.0342    0.2676    0.0009    1

###            No.208                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8643    0.9698    1.3745   80.2113   73.3324   65.1793      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8567    1.0018    1.3567   82.2291   71.6684   64.7909      0.0000         0.6315    0.7384
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0111    0.0216    0.0359    1.3695    1.0328    1.3339      0.0000         0.0197    0.0214
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4132    0.1928    1.2318)
 a2 = (    1.0837    0.3074   -0.1615)
 a3 = (   -0.2724    0.5997   -0.3806)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4545    0.1679    1.2565) (    0.0245    0.0297    0.0091)
 a2 = (    1.0524    0.2995   -0.1413) (    0.0183    0.0150    0.0074)
 a3 = (   -0.2321    0.6203   -0.4054) (    0.0180    0.0241    0.0071)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.5072  103.3295 -162.3619    1.2235    1.3435    0.8429
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003    0.0001    0.0000      0.0028    0.0037    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         1.7398         3.9197
# Chi-squares at the beginning and the end of the refinement
    0.5211    0.0096
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    4   -3   -0.6830    0.0290   -0.7289   -0.0565    0.0971    0
    2    1    1    2   -0.0134   -0.1809   -0.0133   -0.1793    0.0016    1
    3   -2   -1   -7   -0.0224    0.0665   -0.0241    0.0824    0.0160    1
    4    1    1    1   -0.2007   -0.5544   -0.1976   -0.5890    0.0347    0
    5    2    1    4    0.0633   -0.2351    0.0566   -0.2258    0.0115    1
    6   -1    1   -5   -0.0884    0.0892   -0.1046    0.1173    0.0324    0
    7    4    2    5    0.1148   -0.5939    0.1201   -0.5972    0.0062    1
    8    1    0    2    0.1578   -0.2294    0.1441   -0.2219    0.0156    1
    9    0    3   -4   -0.2144    0.0729   -0.1940    0.0483    0.0319    0
   10    1   -1    2    0.2414   -0.1283    0.2267   -0.1283    0.0147    1
   11    1    0    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1    4   -1   -0.2219   -0.0435   -0.1815   -0.0378    0.0408    0
   13    1   -3    2    0.2241   -0.0250    0.1981   -0.0091    0.0304    0
   14    1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    2    4    1   -0.3024   -0.2070   -0.3358   -0.2354    0.0438    0
   16    0   -1    0    0.1379    0.0391    0.1256    0.0356    0.0128    1
   17    2   -2    1    0.7272   -0.0825    0.7260   -0.0804    0.0025    1
   18    3   -1    2    0.8547   -0.4381    1.0655   -0.4953    0.2184    0
   19   -1   -4   -2    0.0324    0.0251    0.0407    0.0272    0.0086    1
   20    1   -3    0    0.4505    0.0897    0.4436    0.1639    0.0745    0
   21    1    2    2   -0.0325   -0.0540   -0.0357   -0.0605    0.0073    1
   22    0   -1   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -2   -5    0.0266    0.2585    0.0342    0.2676    0.0118    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2   -1   -0.7280   -0.0566   -0.7289   -0.0565    0.0009    1
    2    1    1    2   -0.0136   -0.1771   -0.0133   -0.1793    0.0023    1
    3   -2   -1   -7   -0.0253    0.0861   -0.0241    0.0824    0.0039    1
    4    1    1    1   -0.1969   -0.5862   -0.1976   -0.5890    0.0028    1
    5    2    1    4    0.0573   -0.2263    0.0566   -0.2258    0.0009    1
    6   -1    1   -5   -0.1050    0.1173   -0.1046    0.1173    0.0004    1
    7    4    2    5    0.1197   -0.5974    0.1201   -0.5972    0.0005    1
    8    1    0    2    0.1451   -0.2219    0.1441   -0.2219    0.0010    1
    9    0    1   -1   -0.1932    0.0484   -0.1940    0.0483    0.0008    1
   10    1   -1    2    0.2265   -0.1272    0.2267   -0.1283    0.0012    1
   11    1    0    1    0.5351   -0.6138    0.5314   -0.6143    0.0037    1
   12    1    4    0   -0.1623   -0.0591   -0.1815   -0.0378    0.0287    0
   13    1   -3    2    0.2103   -0.0262    0.1981   -0.0091    0.0210    0
   14    1   -1    1    0.5292   -0.1485    0.5323   -0.1459    0.0041    1
   15    2    4    1   -0.3365   -0.2363   -0.3358   -0.2354    0.0011    1
   16    0   -1    0    0.1245    0.0354    0.1256    0.0356    0.0011    1
   17    2   -2    1    0.7278   -0.0799    0.7260   -0.0804    0.0018    1
   18    3   -1    2    0.8602   -0.4312    1.0655   -0.4953    0.2150    0
   19   -1   -4   -2    0.0226    0.0178    0.0407    0.0272    0.0205    0
   20    1   -4   -1    0.4416    0.1644    0.4436    0.1639    0.0021    1
   21    1    2    2   -0.0353   -0.0602   -0.0357   -0.0605    0.0005    1
   22    0   -1   -1    0.2955    0.3311    0.2970    0.3320    0.0017    1
   23   -1   -2   -5    0.0342    0.2680    0.0342    0.2676    0.0004    1

###            No.209                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8490    1.0041    1.3582   82.7260   72.2992   65.0460      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8563    1.0030    1.3564   82.3273   71.7519   64.6614      0.0000         0.6313    0.7394
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0099    0.0217    0.0298    1.0534    0.8780    1.0464      0.0000         0.0126    0.0146
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.5895   -0.4844   -1.1170)
 a2 = (    1.0479    0.2972   -0.1422)
 a3 = (    0.2313   -0.6158    0.4058)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.5969   -0.4675   -1.1149) (    0.0201    0.0169    0.0112)
 a2 = (    1.0524    0.2991   -0.1415) (    0.0171    0.0111    0.0094)
 a3 = (    0.2313   -0.6207    0.4047) (    0.0124    0.0193    0.0074)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -121.7968   76.6377   17.6267    0.9184    0.8743    0.5643
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004    0.0002    0.0000      0.0025    0.0037    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.1700         3.9154
# Chi-squares at the beginning and the end of the refinement
    0.0702    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7330   -0.0651   -0.7289   -0.0565    0.0095    1
    2   -1    0   -2   -0.0131   -0.1770   -0.0133   -0.1793    0.0023    1
    3    2    1    7   -0.0256    0.0856   -0.0241    0.0824    0.0035    1
    4   -1    0   -1   -0.1903   -0.5845   -0.1976   -0.5890    0.0086    1
    5   -2   -1   -4    0.0572   -0.2257    0.0566   -0.2258    0.0006    1
    6    1    2    5   -0.1051    0.1172   -0.1046    0.1173    0.0005    1
    7   -3   -2   -4    0.2000   -0.5303    0.1201   -0.5972    0.1041    0
    8   -1   -1   -2    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    0    1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1   -2   -2    0.2262   -0.1288    0.2267   -0.1283    0.0007    1
   11   -1   -1   -1    0.5253   -0.6116    0.5314   -0.6143    0.0067    1
   12   -1    4    1   -0.1822   -0.0384   -0.1815   -0.0378    0.0009    1
   13   -1   -5   -2    0.1984   -0.0089    0.1981   -0.0091    0.0003    1
   14   -1   -2   -1    0.5282   -0.1537    0.5323   -0.1459    0.0088    1
   15   -2    2   -1   -0.3353   -0.2401   -0.3358   -0.2354    0.0047    1
   16    0   -1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2   -4   -1    0.7281   -0.0888    0.7260   -0.0804    0.0087    1
   18   -3   -4   -2    0.8490   -0.4400    1.0655   -0.4953    0.2234    0
   19    1   -4    2    0.0420    0.0282    0.0407    0.0272    0.0016    1
   20   -1   -5    1    0.4458    0.1632    0.4436    0.1639    0.0023    1
   21   -1    1   -2   -0.0353   -0.0605   -0.0357   -0.0605    0.0004    1
   22    0   -1    1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    1   -1    5    0.0335    0.2689    0.0342    0.2676    0.0014    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    1   -0.7281   -0.0563   -0.7289   -0.0565    0.0009    1
    2   -1    0   -2   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3    2    1    7   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    0   -1   -0.1966   -0.5862   -0.1976   -0.5890    0.0029    1
    5   -2   -1   -4    0.0574   -0.2267    0.0566   -0.2258    0.0013    1
    6    1    2    5   -0.1042    0.1170   -0.1046    0.1173    0.0005    1
    7   -4   -2   -5    0.1198   -0.5974    0.1201   -0.5972    0.0004    1
    8   -1   -1   -2    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    0    1    1   -0.1926    0.0485   -0.1940    0.0483    0.0015    1
   10   -1   -2   -2    0.2270   -0.1275    0.2267   -0.1283    0.0009    1
   11   -1   -1   -1    0.5349   -0.6139    0.5314   -0.6143    0.0035    1
   12   -1    3    0   -0.1620   -0.0589   -0.1815   -0.0378    0.0287    0
   13   -1   -4   -2    0.2109   -0.0263    0.1981   -0.0091    0.0214    0
   14   -1   -2   -1    0.5295   -0.1489    0.5323   -0.1459    0.0041    1
   15   -2    2   -1   -0.3363   -0.2363   -0.3358   -0.2354    0.0010    1
   16    0   -1    0    0.1248    0.0356    0.1256    0.0356    0.0008    1
   17   -2   -4   -1    0.7279   -0.0803    0.7260   -0.0804    0.0019    1
   18   -3   -4   -2    0.8598   -0.4315    1.0655   -0.4953    0.2153    0
   19    1   -3    2    0.0226    0.0178    0.0407    0.0272    0.0204    0
   20   -1   -5    1    0.4417    0.1643    0.4436    0.1639    0.0019    1
   21   -1    1   -2   -0.0353   -0.0603   -0.0357   -0.0605    0.0004    1
   22    0   -1    1    0.2954    0.3307    0.2970    0.3320    0.0020    1
   23    1   -1    5    0.0344    0.2673    0.0342    0.2676    0.0005    1

###            No.210                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8550    0.9999    1.3559   82.4256   71.9725   65.1291      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8563    1.0030    1.3586   82.1576   71.4777   64.6614      0.0000         0.6303    0.7382
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0068    0.0182    0.0258    1.2286    0.8448    1.0464      0.0000         0.0129    0.0152
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.3578    1.0811    0.7136)
 a2 = (   -1.0516   -0.2983    0.1427)
 a3 = (    0.2321   -0.6179    0.4072)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.3656    1.0882    0.7102) (    0.0152    0.0068    0.0080)
 a2 = (   -1.0524   -0.2991    0.1415) (    0.0159    0.0101    0.0088)
 a3 = (    0.2313   -0.6207    0.4047) (    0.0139    0.0160    0.0081)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   54.3974   40.3194   24.6310    0.7014    0.4096    0.7329
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004    0.0002    0.0000      0.0025    0.0037    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.3220         3.9154
# Chi-squares at the beginning and the end of the refinement
    0.0484    0.0109
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    2   -0.7351   -0.0563   -0.7289   -0.0565    0.0062    1
    2    1    0   -1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -2   -1    5   -0.0261    0.0863   -0.0241    0.0824    0.0043    1
    4    1    0    0   -0.1969   -0.5949   -0.1976   -0.5890    0.0060    1
    5    2    1   -2    0.0590   -0.2285    0.0566   -0.2258    0.0036    1
    6   -1   -2    4   -0.1060    0.1172   -0.1046    0.1173    0.0014    1
    7    4    2   -1    0.1254   -0.6027    0.1201   -0.5972    0.0076    1
    8    1    1   -1    0.1475   -0.2231    0.1441   -0.2219    0.0036    1
    9    0   -1    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10    1    2   -1    0.2283   -0.1273    0.2267   -0.1283    0.0019    1
   11    1    1    0    0.5430   -0.6126    0.5314   -0.6143    0.0116    1
   12    1   -4    2   -0.1826   -0.0377   -0.1815   -0.0378    0.0010    1
   13    1    4   -1    0.2117   -0.0262    0.1981   -0.0091    0.0218    0
   14    1    2    0    0.5314   -0.1475    0.5323   -0.1459    0.0018    1
   15    2   -2    1   -0.3402   -0.2387   -0.3358   -0.2354    0.0055    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    2    4    1    0.7296   -0.0786    0.7260   -0.0804    0.0040    1
   18    3    4    1    0.8644   -0.4267    1.0655   -0.4953    0.2125    0
   19   -1    4    1    0.0422    0.0282    0.0407    0.0272    0.0018    1
   20    1    4    1    0.4494    0.0907    0.4436    0.1639    0.0734    0
   21    1   -1   -1   -0.0358   -0.0608   -0.0357   -0.0605    0.0003    1
   22    0    1    1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23   -1    1    4    0.0338    0.2705    0.0342    0.2676    0.0029    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1   -1    2   -0.7281   -0.0563   -0.7289   -0.0565    0.0009    1
    2    1    0   -1   -0.0135   -0.1774   -0.0133   -0.1793    0.0019    1
    3   -2   -1    5   -0.0249    0.0854   -0.0241    0.0824    0.0031    1
    4    1    0    0   -0.1966   -0.5862   -0.1976   -0.5890    0.0029    1
    5    2    1   -2    0.0574   -0.2267    0.0566   -0.2258    0.0013    1
    6   -1   -2    4   -0.1042    0.1170   -0.1046    0.1173    0.0005    1
    7    4    2   -1    0.1198   -0.5974    0.1201   -0.5972    0.0004    1
    8    1    1   -1    0.1454   -0.2224    0.1441   -0.2219    0.0014    1
    9    0   -1    1   -0.1926    0.0485   -0.1940    0.0483    0.0015    1
   10    1    2   -1    0.2270   -0.1275    0.2267   -0.1283    0.0009    1
   11    1    1    0    0.5349   -0.6139    0.5314   -0.6143    0.0035    1
   12    1   -3    1   -0.1620   -0.0589   -0.1815   -0.0378    0.0287    0
   13    1    4   -1    0.2109   -0.0263    0.1981   -0.0091    0.0214    0
   14    1    2    0    0.5295   -0.1489    0.5323   -0.1459    0.0041    1
   15    2   -2    1   -0.3363   -0.2363   -0.3358   -0.2354    0.0010    1
   16    0    1    0    0.1248    0.0356    0.1256    0.0356    0.0008    1
   17    2    4    1    0.7279   -0.0803    0.7260   -0.0804    0.0019    1
   18    3    4    1    0.8598   -0.4315    1.0655   -0.4953    0.2153    0
   19   -1    3    1    0.0226    0.0178    0.0407    0.0272    0.0204    0
   20    1    5    2    0.4417    0.1643    0.4436    0.1639    0.0019    1
   21    1   -1   -1   -0.0353   -0.0603   -0.0357   -0.0605    0.0004    1
   22    0    1    1    0.2954    0.3307    0.2970    0.3320    0.0020    1
   23   -1    1    4    0.0344    0.2673    0.0342    0.2676    0.0005    1

###            No.211                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8255    0.8758    1.4617   73.7458   86.7372   80.3081      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8300    0.8646    1.4788   73.1427   86.9000   79.9322      0.0000         0.5613    0.5847
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0031    0.0157    0.0275    0.7863    1.2382    1.2012      0.0000         0.0096    0.0134
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.8090    0.9069   -0.1825)
 a2 = (    0.5250    0.4107    1.0035)
 a3 = (    0.3990    0.2371   -0.5408)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.8078    0.8993   -0.1905) (    0.0141    0.0130    0.0088)
 a2 = (    0.5429    0.4246    1.0134) (    0.0218    0.0205    0.0160)
 a3 = (    0.3862    0.2277   -0.5462) (    0.0148    0.0107    0.0089)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -10.8477  124.2014  125.7840    0.5174    0.8584    0.8033
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0003    0.0001    0.0000      0.0028    0.0032    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.7155         3.9148
# Chi-squares at the beginning and the end of the refinement
    0.2040    0.0086
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    2    1   -0.7269   -0.0488   -0.7289   -0.0565    0.0080    1
    2    1    1    1   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3   -4   -2   -3   -0.0124    0.0645   -0.0241    0.0824    0.0214    0
    4    1    2    1   -0.1923   -0.5906   -0.1976   -0.5890    0.0055    1
    5    3    2    1    0.0590   -0.2279    0.0566   -0.2258    0.0032    1
    6   -1    0    0   -0.0999    0.1120   -0.1046    0.1173    0.0070    1
    7    1    1    0    0.1284   -0.5955    0.1201   -0.5972    0.0084    1
    8    3    1   -1    0.1678   -0.2111    0.1441   -0.2219    0.0261    0
    9   -3    2    3   -0.1873    0.0476   -0.1940    0.0483    0.0068    1
   10    1    0   -1    0.2269   -0.1258    0.2267   -0.1283    0.0026    1
   11    3    2   -3    0.5419   -0.5960    0.5314   -0.6143    0.0211    1
   12   -1    2    3   -0.1781   -0.0365   -0.1815   -0.0378    0.0037    1
   13    2   -1   -4    0.2094   -0.0255    0.1981   -0.0091    0.0199    0
   14    1    0   -2    0.5217   -0.1404    0.5323   -0.1459    0.0120    1
   15    0    1    1   -0.3358   -0.2354   -0.3358   -0.2354    0.0000    1
   16    1   -2   -5    0.1234    0.0352    0.1256    0.0356    0.0022    1
   17    1    0   -3    0.7110   -0.0693    0.7260   -0.0804    0.0186    1
   18    2    1   -5    0.9724   -0.3271    1.0655   -0.4953    0.1922    0
   19    0   -1   -2    0.0407    0.0272    0.0407    0.0272    0.0000    1
   20    1   -1   -5    0.4372    0.0905    0.4436    0.1639    0.0736    0
   21    1    2    3   -0.0363   -0.0615   -0.0357   -0.0605    0.0012    1
   22   -1   -2   -7    0.2876    0.3212    0.2970    0.3320    0.0143    1
   23   -3   -2   -5    0.0338    0.2587    0.0342    0.2676    0.0089    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    2    1   -0.7283   -0.0567   -0.7289   -0.0565    0.0007    1
    2    1    1    1   -0.0136   -0.1772   -0.0133   -0.1793    0.0021    1
    3   -4   -2   -3   -0.0132    0.0703   -0.0241    0.0824    0.0163    1
    4    1    2    1   -0.1969   -0.5865   -0.1976   -0.5890    0.0026    1
    5    3    2    1    0.0574   -0.2264    0.0566   -0.2258    0.0010    1
    6   -1    0    0   -0.1050    0.1173   -0.1046    0.1173    0.0004    1
    7    1    1    0    0.1198   -0.5976    0.1201   -0.5972    0.0005    1
    8    3    1   -1    0.1660   -0.2116    0.1441   -0.2219    0.0242    0
    9   -3    2    3   -0.1933    0.0484   -0.1940    0.0483    0.0008    1
   10    1    0   -1    0.2266   -0.1272    0.2267   -0.1283    0.0011    1
   11    3    2   -3    0.5354   -0.6139    0.5314   -0.6143    0.0040    1
   12   -1    2    3   -0.1815   -0.0377   -0.1815   -0.0378    0.0001    1
   13    2   -1   -4    0.2104   -0.0262    0.1981   -0.0091    0.0210    0
   14    1    0   -2    0.5293   -0.1485    0.5323   -0.1459    0.0039    1
   15    0    1    1   -0.3366   -0.2364   -0.3358   -0.2354    0.0013    1
   16    1   -2   -5    0.1245    0.0354    0.1256    0.0356    0.0011    1
   17    1    0   -3    0.7279   -0.0799    0.7260   -0.0804    0.0020    1
   18    2    1   -5    0.9909   -0.3576    1.0655   -0.4953    0.1565    0
   19    0   -1   -2    0.0417    0.0278    0.0407    0.0272    0.0011    1
   20    1   -1   -5    0.4473    0.0905    0.4436    0.1639    0.0734    0
   21    1    2    3   -0.0354   -0.0603   -0.0357   -0.0605    0.0004    1
   22   -1   -2   -7    0.2955    0.3311    0.2970    0.3320    0.0017    1
   23   -3   -2   -5    0.0342    0.2680    0.0342    0.2676    0.0003    1

###            No.212                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7920    1.0789    1.2544  105.1299  100.8122   96.9131      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8002    1.0748    1.2463  105.2302  100.1514   97.5817      0.0000         0.6420    0.8623
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0038    0.0189    0.0309    1.1481    0.8865    1.2788      0.0000         0.0143    0.0138
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.7707    0.3449    0.9969)
 a2 = (    0.8217   -0.4652   -0.2460)
 a3 = (    0.5166    0.5776   -0.3452)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.7654    0.3218    0.9905) (    0.0151    0.0167    0.0112)
 a2 = (    0.8278   -0.4659   -0.2479) (    0.0120    0.0131    0.0093)
 a3 = (    0.5199    0.5809   -0.3451) (    0.0154    0.0152    0.0093)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  117.7666  119.9900  159.2885    0.8933    0.6396    0.6910
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0003    0.0000      0.0033    0.0032    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.1574         3.8473
# Chi-squares at the beginning and the end of the refinement
    0.1669    0.0186
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    1    0   -0.7330   -0.0697   -0.7289   -0.0565    0.0138    1
    2    1   -3    3    0.0084   -0.2010   -0.0133   -0.1793    0.0306    0
    3    0    1   -1   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    1   -1    1   -0.1951   -0.5815   -0.1976   -0.5890    0.0079    1
    5    1   -4    3    0.0556   -0.2264    0.0566   -0.2258    0.0012    1
    6    1    5   -3   -0.1074    0.1198   -0.1046    0.1173    0.0037    1
    7    1   -2    1    0.1144   -0.5953    0.1201   -0.5972    0.0060    1
    8    1   -5    3    0.0943   -0.2322    0.1441   -0.2219    0.0508    0
    9    1    2    0   -0.1975    0.0479   -0.1940    0.0483    0.0035    1
   10    0   -1    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    2   -5    0    0.5276   -0.6198    0.5314   -0.6143    0.0067    1
   12    1    1    1   -0.1837   -0.0398   -0.1815   -0.0378    0.0030    1
   13   -1   -3   -3    0.1590    0.0227    0.1981   -0.0091    0.0504    0
   14    1   -5   -1    0.5153   -0.2799    0.5323   -0.1459    0.1350    0
   15    1    0    1   -0.3345   -0.2397   -0.3358   -0.2354    0.0045    1
   16   -1   -2   -3    0.1235    0.0357    0.1256    0.0356    0.0021    1
   17    1   -4   -3    0.7319   -0.0852    0.7260   -0.0804    0.0076    1
   18    1   -2   -1    1.0542   -0.5295    1.0655   -0.4953    0.0360    1
   19   -1    1   -4    0.0201    0.0312    0.0407    0.0272    0.0210    0
   20    0   -1   -2    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    1   -1    3   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22    0    0   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23    0    1   -2    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    2    1    0   -0.7308   -0.0553   -0.7289   -0.0565    0.0023    1
    2    1   -3    3    0.0091   -0.2017   -0.0133   -0.1793    0.0316    0
    3    0    1   -1   -0.0253    0.0852   -0.0241    0.0824    0.0030    1
    4    1   -1    1   -0.1964   -0.5874   -0.1976   -0.5890    0.0020    1
    5    1   -4    3    0.0568   -0.2270    0.0566   -0.2258    0.0012    1
    6    1    5   -3   -0.1043    0.1165   -0.1046    0.1173    0.0008    1
    7    1   -2    1    0.1205   -0.5980    0.1201   -0.5972    0.0009    1
    8    1   -5    3    0.0958   -0.2326    0.1441   -0.2219    0.0495    0
    9    1    2    0   -0.1923    0.0482   -0.1940    0.0483    0.0018    1
   10    0   -1    0    0.2273   -0.1283    0.2267   -0.1283    0.0006    1
   11    2   -5    0    0.5369   -0.6124    0.5314   -0.6143    0.0058    1
   12    1    1    1   -0.1805   -0.0375   -0.1815   -0.0378    0.0010    1
   13   -1   -3   -3    0.1608    0.0220    0.1981   -0.0091    0.0486    0
   14    1   -5   -1    0.5155   -0.2744    0.5323   -0.1459    0.1296    0
   15    1    0    1   -0.3364   -0.2364   -0.3358   -0.2354    0.0012    1
   16   -1   -2   -3    0.1255    0.0355    0.1256    0.0356    0.0002    1
   17    1   -4   -3    0.7264   -0.0786    0.7260   -0.0804    0.0018    1
   18    1   -2   -1    1.0579   -0.5050    1.0655   -0.4953    0.0124    1
   19   -1    1   -4    0.0207    0.0319    0.0407    0.0272    0.0205    0
   20    0   -1   -2    0.4410    0.1641    0.4436    0.1639    0.0026    1
   21    1   -1    3   -0.0353   -0.0597   -0.0357   -0.0605    0.0009    1
   22    0    0   -1    0.2951    0.3296    0.2970    0.3320    0.0030    1
   23    0    1   -2    0.0347    0.2670    0.0342    0.2676    0.0009    1

###            No.213                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8542    1.0717    1.2488   66.6500   84.2546   72.3483      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8577    1.0721    1.2741   64.3946   81.7629   71.1844      0.0000         0.6732    0.8415
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0048    0.0163    0.0207    1.0946    1.2781    0.9365      0.0000         0.0104    0.0111
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -1.0348    0.5858    0.3098)
 a2 = (    0.8036    0.5634    0.4043)
 a3 = (   -0.1625    0.1961   -0.8344)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -1.0432    0.5776    0.3088) (    0.0064    0.0106    0.0085)
 a2 = (    0.8153    0.5788    0.4122) (    0.0136    0.0122    0.0085)
 a3 = (   -0.1593    0.1538   -0.8417) (    0.0181    0.0144    0.0117)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   27.8188  147.5127  175.0208    0.7967    0.4215    0.7919
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0002    0.0039    0.0000      0.0032    0.0025    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9570         3.5952
# Chi-squares at the beginning and the end of the refinement
    0.7744    0.3247
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    2   -2   -0.7287   -0.0365   -0.7289   -0.0565    0.0200    1
    2    3    4    2    0.0097   -0.1988   -0.0133   -0.1793    0.0301    0
    3   -1   -1   -1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    2    0   -0.1963   -0.5873   -0.1976   -0.5890    0.0021    1
    5    2    2    1    0.0561   -0.2239    0.0566   -0.2258    0.0019    1
    6   -3   -2   -3   -0.0949    0.1661   -0.1046    0.1173    0.0498    0
    7    1    1    0    0.1201   -0.5972    0.1201   -0.5972    0.0000    1
    8    4    2    1    0.1579   -0.2149    0.1441   -0.2219    0.0155    1
    9   -2    1   -1   -0.1906    0.0505   -0.1940    0.0483    0.0041    1
   10    1    0    0    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    3    1   -1    0.5102   -0.5070    0.5314   -0.6143    0.1094    0
   12   -1    2    0   -0.1812   -0.0371   -0.1815   -0.0378    0.0008    1
   13    3   -2   -1    0.2081   -0.0199    0.1981   -0.0091    0.0147    1
   14    3   -1   -2    0.5831   -0.1305    0.5323   -0.1459    0.0531    0
   15    0    1    0   -0.3373   -0.2365   -0.3358   -0.2354    0.0018    1
   16    1   -2   -1    0.1244    0.0370    0.1256    0.0356    0.0018    1
   17    2   -1   -2    0.7341   -0.0622    0.7260   -0.0804    0.0198    1
   18    1    0   -1    1.0934   -0.4886    1.0655   -0.4953    0.0288    1
   19   -1   -5   -3    0.0194    0.0310    0.0407    0.0272    0.0217    0
   20    1   -2   -2    0.4345    0.1750    0.4436    0.1639    0.0144    1
   21    1    4    2   -0.0345   -0.0601   -0.0357   -0.0605    0.0013    1
   22    0   -1   -1    0.2791    0.3307    0.2970    0.3320    0.0179    1
   23   -1   -2   -2    0.0303    0.2580    0.0342    0.2676    0.0104    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    2   -2   -0.7290   -0.0625   -0.7289   -0.0565    0.0060    1
    2    3    4    2    0.0086   -0.2005   -0.0133   -0.1793    0.0304    0
    3   -1   -1   -1   -0.0252    0.0887   -0.0241    0.0824    0.0064    1
    4    1    2    0   -0.1985   -0.5820   -0.1976   -0.5890    0.0070    1
    5    2    2    1    0.0570   -0.2252    0.0566   -0.2258    0.0007    1
    6   -4   -1   -3   -0.1300    0.1173   -0.1046    0.1173    0.0254    0
    7    1    1    0    0.1181   -0.5963    0.1201   -0.5972    0.0022    1
    8    3    2    1    0.1253   -0.2264    0.1441   -0.2219    0.0193    0
    9   -2    1   -1   -0.1969    0.0508   -0.1940    0.0483    0.0038    1
   10    1    0    0    0.2264   -0.1215    0.2267   -0.1283    0.0068    1
   11    3    1   -1    0.5050   -0.5020    0.5314   -0.6143    0.1154    0
   12   -1    2    0   -0.1843   -0.0361   -0.1815   -0.0378    0.0033    1
   13    3   -2   -1    0.2032   -0.0148    0.1981   -0.0091    0.0076    1
   14    3   -1   -2    0.5745   -0.1303    0.5323   -0.1459    0.0450    0
   15    0    1    0   -0.3363   -0.2348   -0.3358   -0.2354    0.0008    1
   16    1   -2   -1    0.1193    0.0387    0.1256    0.0356    0.0070    1
   17    2   -1   -2    0.7232   -0.0714    0.7260   -0.0804    0.0094    1
   18    1    0   -1    1.0581   -0.5035    1.0655   -0.4953    0.0111    1
   19    2   -3   -1    0.0494    0.0122    0.0407    0.0272    0.0173    1
   20    1   -2   -2    0.4340    0.1675    0.4436    0.1639    0.0102    1
   21    1    4    2   -0.0378   -0.0595   -0.0357   -0.0605    0.0023    1
   22    0   -1   -1    0.2912    0.3293    0.2970    0.3320    0.0064    1
   23   -1   -2   -2    0.0347    0.2687    0.0342    0.2676    0.0012    1

###            No.215                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7087    1.0247    1.3807   93.7166   90.6888   91.7503      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7002    0.9988    1.4324   92.9225   90.4969   91.5403      0.0000         0.4888    0.6973
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0005    0.0181    0.0417    1.3764    0.8196    1.3564      0.0000         0.0143    0.0159
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.7435   -0.4954    1.0931)
 a2 = (    0.2315   -0.9244   -0.2218)
 a3 = (    0.5943   -0.0013    0.4168)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.7754   -0.4892    1.0960) (    0.0172    0.0234    0.0105)
 a2 = (    0.2420   -0.9488   -0.2165) (    0.0132    0.0182    0.0078)
 a3 = (    0.5638    0.0116    0.4132) (    0.0209    0.0140    0.0083)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  107.1674   53.3975   94.8571    1.0504    0.6143    0.8868
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0001   -0.0068    0.0000      0.0041    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         1.8827         3.5819
# Chi-squares at the beginning and the end of the refinement
    0.6300    0.3257
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7014    0.0015   -0.7289   -0.0565    0.0642    0
    2   -1   -5    2   -0.0246   -0.1624   -0.0133   -0.1793    0.0204    0
    3    1    5    1   -0.0149    0.0754   -0.0241    0.0824    0.0116    1
    4    0   -1    1   -0.2354   -0.5993   -0.1976   -0.5890    0.0392    0
    5    0   -1    0    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    1    1   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7    1   -5    1    0.1828   -0.5769    0.1201   -0.5972    0.0659    0
    8    1   -4   -2    0.1778   -0.1993    0.1441   -0.2219    0.0406    0
    9   -1    2    6   -0.1868    0.0533   -0.1940    0.0483    0.0088    1
   10    1   -2   -2    0.2223   -0.1259    0.2267   -0.1283    0.0050    1
   11    1   -2    0    0.5640   -0.6326    0.5314   -0.6143    0.0374    0
   12   -1    0    4   -0.1795   -0.0282   -0.1815   -0.0378    0.0098    1
   13    2   -1   -4    0.1809    0.0027    0.1981   -0.0091    0.0209    0
   14    1   -1   -1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15   -1   -2    6   -0.3516   -0.2136   -0.3358   -0.2354    0.0269    0
   16    1    0   -2    0.1261    0.0322    0.1256    0.0356    0.0035    1
   17    3   -2   -2    0.7378   -0.0694    0.7260   -0.0804    0.0161    1
   18    3   -3   -1    0.8840   -0.3236    1.0655   -0.4953    0.2498    0
   19    2    3   -3    0.0335    0.0490    0.0407    0.0272    0.0229    0
   20    1    0   -1    0.4449    0.1643    0.4436    0.1639    0.0014    1
   21   -1   -2    2   -0.0354   -0.0564   -0.0357   -0.0605    0.0041    1
   22    3    2   -2    0.2982    0.3362    0.2970    0.3320    0.0044    1
   23    1    2    0    0.0327    0.2731    0.0342    0.2676    0.0057    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0    1   -0.7326   -0.0219   -0.7289   -0.0565    0.0347    0
    2   -1   -4    2   -0.0286   -0.1390   -0.0133   -0.1793    0.0431    0
    3    0    4    3   -0.0467    0.0594   -0.0241    0.0824    0.0323    0
    4    0   -1    1   -0.1974   -0.5963   -0.1976   -0.5890    0.0073    1
    5    0   -1    0    0.0547   -0.2210    0.0566   -0.2258    0.0051    1
    6    0    1    1   -0.1037    0.1139   -0.1046    0.1173    0.0035    1
    7    1   -5    1    0.1823   -0.5535    0.1201   -0.5972    0.0759    0
    8    1   -4   -2    0.1715   -0.2028    0.1441   -0.2219    0.0334    0
    9   -1    2    6   -0.1889    0.0477   -0.1940    0.0483    0.0052    1
   10    1   -2   -2    0.2203   -0.1346    0.2267   -0.1283    0.0090    1
   11    1   -2    0    0.5395   -0.6100    0.5314   -0.6143    0.0091    1
   12   -1    0    4   -0.1781   -0.0383   -0.1815   -0.0378    0.0035    1
   13    2   -1   -4    0.1867   -0.0033    0.1981   -0.0091    0.0128    1
   14    1   -1   -1    0.5266   -0.1560    0.5323   -0.1459    0.0116    1
   15   -1   -2    6   -0.3415   -0.2353   -0.3358   -0.2354    0.0058    1
   16    1    0   -2    0.1322    0.0288    0.1256    0.0356    0.0095    1
   17    3   -2   -2    0.7274   -0.0820    0.7260   -0.0804    0.0021    1
   18    1   -1    0    1.0714   -0.4909    1.0655   -0.4953    0.0074    1
   19    2    3   -3    0.0360    0.0482    0.0407    0.0272    0.0215    0
   20    1    0   -1    0.4474    0.1605    0.4436    0.1639    0.0051    1
   21   -1   -2    2   -0.0296   -0.0572   -0.0357   -0.0605    0.0070    1
   22    3    2   -2    0.2968    0.3318    0.2970    0.3320    0.0003    1
   23    1    2    0    0.0335    0.2669    0.0342    0.2676    0.0010    1

###            No.216                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.7973    1.0704    1.2564  105.1572  100.4820   97.3879      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.7979    1.0739    1.2507  105.0980  100.2759   97.5809      0.0000         0.6380    0.8587
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0048    0.0191    0.0326    1.1927    1.2133    1.2723      0.0000         0.0142    0.0169
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5598    0.0458   -1.1703)
 a2 = (    0.4989    0.8465    0.0690)
 a3 = (    0.8053   -0.2005    0.1660)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.5557    0.0505   -1.1706) (    0.0214    0.0206    0.0102)
 a2 = (    0.4985    0.8432    0.0687) (    0.0107    0.0162    0.0074)
 a3 = (    0.8080   -0.2031    0.1656) (    0.0197    0.0104    0.0080)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -74.8841   69.2379   57.8850    0.9490    0.9805    0.6723
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002    0.0000    0.0000      0.0034    0.0032    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.3411         3.4850
# Chi-squares at the beginning and the end of the refinement
    0.0247    0.0070
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    3   -0.7324   -0.0619   -0.7289   -0.0565    0.0064    1
    2   -1    5   -3    0.0211   -0.2104   -0.0133   -0.1793    0.0464    0
    3    0   -1    1   -0.0250    0.0853   -0.0241    0.0824    0.0030    1
    4   -2    5    0   -0.1940   -0.5842   -0.1976   -0.5890    0.0060    1
    5   -1    4   -3    0.0563   -0.2266    0.0566   -0.2258    0.0009    1
    6    0   -1    2   -0.1047    0.1174   -0.1046    0.1173    0.0002    1
    7   -1    2   -1    0.1182   -0.5948    0.1201   -0.5972    0.0030    1
    8   -1    3   -3    0.1105   -0.2313    0.1441   -0.2219    0.0348    0
    9    0    0    1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1   -3    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11   -1    1   -1    0.5305   -0.6132    0.5314   -0.6143    0.0015    1
   12    0    1    2   -0.1819   -0.0384   -0.1815   -0.0378    0.0007    1
   13   -1   -1   -3    0.1724    0.0144    0.1981   -0.0091    0.0348    0
   14   -2    0   -3    0.5106   -0.0736    0.5323   -0.1459    0.0755    0
   15   -1    4    3   -0.3353   -0.2384   -0.3358   -0.2354    0.0030    1
   16   -1   -2   -3    0.1243    0.0356    0.1256    0.0356    0.0013    1
   17   -1    0   -1    0.7264   -0.0823    0.7260   -0.0804    0.0020    1
   18   -3    1   -2    1.0048   -0.3996    1.0655   -0.4953    0.1133    0
   19   -1   -1   -5    0.0534   -0.0012    0.0407    0.0272    0.0311    0
   20   -1   -1   -1    0.4410    0.1637    0.4436    0.1639    0.0026    1
   21    0    1    0   -0.0357   -0.0605   -0.0357   -0.0605    0.0000    1
   22   -1   -2    0    0.2950    0.3293    0.2970    0.3320    0.0033    1
   23   -1   -5    3    0.0349    0.2665    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    1    3   -0.7290   -0.0565   -0.7289   -0.0565    0.0001    1
    2   -1    5   -3    0.0217   -0.2109   -0.0133   -0.1793    0.0471    0
    3    0   -1    1   -0.0250    0.0851   -0.0241    0.0824    0.0028    1
    4   -2    5    0   -0.1966   -0.5864   -0.1976   -0.5890    0.0028    1
    5   -1    4   -3    0.0571   -0.2270    0.0566   -0.2258    0.0014    1
    6    0   -1    2   -0.1042    0.1167   -0.1046    0.1173    0.0007    1
    7   -1    2   -1    0.1193   -0.5975    0.1201   -0.5972    0.0008    1
    8   -1    3   -3    0.1114   -0.2315    0.1441   -0.2219    0.0340    0
    9    0    0    1   -0.1925    0.0485   -0.1940    0.0483    0.0015    1
   10   -1    1   -3    0.2271   -0.1282    0.2267   -0.1283    0.0004    1
   11   -1    1   -1    0.5340   -0.6145    0.5314   -0.6143    0.0026    1
   12    0    1    2   -0.1812   -0.0375   -0.1815   -0.0378    0.0005    1
   13   -1   -1   -3    0.1730    0.0141    0.1981   -0.0091    0.0342    0
   14   -2    0   -3    0.5114   -0.0735    0.5323   -0.1459    0.0754    0
   15   -1    4    3   -0.3365   -0.2365   -0.3358   -0.2354    0.0014    1
   16   -1   -2   -3    0.1251    0.0354    0.1256    0.0356    0.0006    1
   17   -1    0   -1    0.7281   -0.0815    0.7260   -0.0804    0.0024    1
   18   -3    1   -2    1.0101   -0.3982    1.0655   -0.4953    0.1117    0
   19   -1   -1   -5    0.0540   -0.0013    0.0407    0.0272    0.0314    0
   20   -1   -1   -1    0.4422    0.1639    0.4436    0.1639    0.0013    1
   21    0    1    0   -0.0355   -0.0604   -0.0357   -0.0605    0.0002    1
   22   -1   -2    0    0.2958    0.3306    0.2970    0.3320    0.0018    1
   23   -1   -5    3    0.0344    0.2671    0.0342    0.2676    0.0006    1

###            No.217                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9124    1.0960    1.1019   89.8088   72.3144   73.0799      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9136    1.1004    1.0982   89.9763   72.5735   72.5432      0.0000         0.8319    1.0020
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0103    0.0163    0.0158    0.8413    1.4820    1.1388      0.0000         0.0104    0.0157
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.2208   -0.2154    1.1676)
 a2 = (   -0.2680    0.9159   -0.0819)
 a3 = (   -0.9209   -0.1917   -0.1744)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.2197   -0.2240    1.1670) (    0.0288    0.0207    0.0063)
 a2 = (   -0.2703    0.9143   -0.0852) (    0.0125    0.0150    0.0060)
 a3 = (   -0.9236   -0.1906   -0.1744) (    0.0125    0.0087    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   76.8295   82.6604  -74.1897    0.9935    1.3226    0.7248
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003    0.0000      0.0033    0.0025    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.2229         3.4091
# Chi-squares at the beginning and the end of the refinement
    0.0469    0.0110
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -2   -0.7304   -0.0595   -0.7289   -0.0565    0.0033    1
    2    1    5   -1    0.0089   -0.2043   -0.0133   -0.1793    0.0334    0
    3    0   -1    0   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4    1    2   -1   -0.1962   -0.5859   -0.1976   -0.5890    0.0034    1
    5    1    4    0    0.0567   -0.2296    0.0566   -0.2258    0.0038    1
    6    0   -2   -1   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7    1    2    0    0.1167   -0.5982    0.1201   -0.5972    0.0036    1
    8    1    3    1    0.1452   -0.2260    0.1441   -0.2219    0.0042    1
    9    0   -1   -2   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10    1    2    2    0.2288   -0.1308    0.2267   -0.1283    0.0033    1
   11    3    4    2    0.5299   -0.6200    0.5314   -0.6143    0.0059    1
   12    0    0   -1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    1    1    3    0.1997   -0.0089    0.1981   -0.0091    0.0016    1
   14    2    2    3    0.5323   -0.1539    0.5323   -0.1459    0.0079    1
   15    1    2   -4   -0.3366   -0.2382   -0.3358   -0.2354    0.0029    1
   16    1    0    4    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17    3    2    4    0.7323   -0.0862    0.7260   -0.0804    0.0086    1
   18    3    2    3    1.0136   -0.2348    1.0655   -0.4953    0.2656    0
   19    1    0    5    0.0629    0.0168    0.0407    0.0272    0.0245    0
   20    1    0    2    0.4444    0.1642    0.4436    0.1639    0.0009    1
   21    0    1   -1   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22    1   -1    2    0.2954    0.3307    0.2970    0.3320    0.0020    1
   23    1   -4    2    0.0341    0.2646    0.0342    0.2676    0.0031    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    0   -2   -0.7290   -0.0558   -0.7289   -0.0565    0.0007    1
    2    1    5   -1    0.0094   -0.2016   -0.0133   -0.1793    0.0318    0
    3    0   -1    0   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4    1    2   -1   -0.1966   -0.5865   -0.1976   -0.5890    0.0027    1
    5    1    4    0    0.0570   -0.2267    0.0566   -0.2258    0.0010    1
    6    0   -2   -1   -0.1044    0.1167   -0.1046    0.1173    0.0006    1
    7    1    2    0    0.1196   -0.5975    0.1201   -0.5972    0.0006    1
    8    1    3    1    0.1449   -0.2227    0.1441   -0.2219    0.0011    1
    9    0   -1   -2   -0.1925    0.0482   -0.1940    0.0483    0.0015    1
   10    1    2    2    0.2268   -0.1282    0.2267   -0.1283    0.0002    1
   11    3    4    2    0.5349   -0.6139    0.5314   -0.6143    0.0035    1
   12    0    0   -1   -0.1809   -0.0377   -0.1815   -0.0378    0.0006    1
   13    1    1    3    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14    2    2    3    0.5294   -0.1493    0.5323   -0.1459    0.0045    1
   15    1    2   -4   -0.3363   -0.2365   -0.3358   -0.2354    0.0012    1
   16    1    0    4    0.1252    0.0352    0.1256    0.0356    0.0006    1
   17    3    2    4    0.7277   -0.0805    0.7260   -0.0804    0.0017    1
   18    3    2    3    1.0096   -0.2229    1.0655   -0.4953    0.2781    0
   19    1    0    5    0.0628    0.0165    0.0407    0.0272    0.0246    0
   20    1    0    2    0.4419    0.1640    0.4436    0.1639    0.0017    1
   21    0    1   -1   -0.0352   -0.0601   -0.0357   -0.0605    0.0006    1
   22    1   -1    2    0.2956    0.3304    0.2970    0.3320    0.0021    1
   23    1   -4    2    0.0345    0.2672    0.0342    0.2676    0.0005    1

###            No.218                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.9272    1.0900    1.1046   89.1193   70.3347   72.8293      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.9136    1.0982    1.1004   89.9763   72.5432   72.5735      0.0000         0.8302    0.9980
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0103    0.0158    0.0163    0.8413    1.1388    1.4820      0.0000         0.0123    0.0156
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.2231    0.2692   -1.1520)
 a2 = (    0.9283    0.1933    0.1758)
 a3 = (    0.2702   -0.9233    0.0826)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.2197    0.2240   -1.1670) (    0.0288    0.0207    0.0063)
 a2 = (    0.9236    0.1906    0.1744) (    0.0125    0.0087    0.0062)
 a3 = (    0.2703   -0.9143    0.0852) (    0.0125    0.0150    0.0060)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -97.5301  103.0638   14.1221    1.3831    1.0058    0.4974
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0003    0.0000      0.0033    0.0025    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.6994         3.4091
# Chi-squares at the beginning and the end of the refinement
    0.4507    0.0110
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    2    0   -0.7207   -0.0407   -0.7289   -0.0565    0.0178    1
    2   -1    1   -5    0.0088   -0.2011   -0.0133   -0.1793    0.0310    0
    3    0    0    1   -0.0241    0.0824   -0.0241    0.0824    0.0000    1
    4   -1    1   -2   -0.2025   -0.5867   -0.1976   -0.5890    0.0054    1
    5   -1    0   -4    0.0566   -0.2258    0.0566   -0.2258    0.0000    1
    6    0    1    2   -0.1024    0.1153   -0.1046    0.1173    0.0030    1
    7   -1    0   -2    0.1209   -0.6013    0.1201   -0.5972    0.0042    1
    8   -1   -1   -3    0.1448   -0.2205    0.1441   -0.2219    0.0016    1
    9    0    2    1   -0.1920    0.0485   -0.1940    0.0483    0.0021    1
   10   -1   -2   -2    0.2247   -0.1231    0.2267   -0.1283    0.0056    1
   11   -3   -2   -4    0.5524   -0.6086    0.5314   -0.6143    0.0217    1
   12    0    1    0   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1   -3   -1    0.1912   -0.0050    0.1981   -0.0091    0.0080    1
   14   -2   -3   -2    0.5260   -0.1331    0.5323   -0.1459    0.0143    1
   15   -1    4   -2   -0.3365   -0.2329   -0.3358   -0.2354    0.0026    1
   16   -1   -4    0    0.1180    0.0352    0.1256    0.0356    0.0076    1
   17   -3   -4   -2    0.7179   -0.0533    0.7260   -0.0804    0.0282    1
   18   -4   -3   -4    0.8584   -0.5880    1.0655   -0.4953    0.2269    0
   19   -1   -5    0    0.0573    0.0160    0.0407    0.0272    0.0200    0
   20   -1   -2    0    0.4220    0.1694    0.4436    0.1639    0.0223    1
   21    0    1   -1   -0.0365   -0.0620   -0.0357   -0.0605    0.0017    1
   22   -1   -2    1    0.2766    0.3204    0.2970    0.3320    0.0235    0
   23   -1   -2    4    0.0325    0.2559    0.0342    0.2676    0.0119    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1    2    0   -0.7290   -0.0558   -0.7289   -0.0565    0.0007    1
    2   -1    1   -5    0.0094   -0.2016   -0.0133   -0.1793    0.0318    0
    3    0    0    1   -0.0251    0.0854   -0.0241    0.0824    0.0031    1
    4   -1    1   -2   -0.1966   -0.5865   -0.1976   -0.5890    0.0027    1
    5   -1    0   -4    0.0570   -0.2267    0.0566   -0.2258    0.0010    1
    6    0    1    2   -0.1044    0.1167   -0.1046    0.1173    0.0006    1
    7   -1    0   -2    0.1196   -0.5975    0.1201   -0.5972    0.0006    1
    8   -1   -1   -3    0.1449   -0.2227    0.1441   -0.2219    0.0011    1
    9    0    2    1   -0.1925    0.0482   -0.1940    0.0483    0.0015    1
   10   -1   -2   -2    0.2268   -0.1282    0.2267   -0.1283    0.0002    1
   11   -3   -2   -4    0.5349   -0.6139    0.5314   -0.6143    0.0035    1
   12    0    1    0   -0.1809   -0.0377   -0.1815   -0.0378    0.0006    1
   13   -1   -3   -1    0.1979   -0.0086    0.1981   -0.0091    0.0006    1
   14   -2   -3   -2    0.5294   -0.1493    0.5323   -0.1459    0.0045    1
   15   -1    4   -2   -0.3363   -0.2365   -0.3358   -0.2354    0.0012    1
   16   -1   -4    0    0.1252    0.0352    0.1256    0.0356    0.0006    1
   17   -3   -4   -2    0.7277   -0.0805    0.7260   -0.0804    0.0017    1
   18   -3   -3   -2    1.0096   -0.2229    1.0655   -0.4953    0.2781    0
   19   -1   -5    0    0.0628    0.0165    0.0407    0.0272    0.0246    0
   20   -1   -2    0    0.4419    0.1640    0.4436    0.1639    0.0017    1
   21    0    1   -1   -0.0352   -0.0601   -0.0357   -0.0605    0.0006    1
   22   -1   -2    1    0.2956    0.3304    0.2970    0.3320    0.0021    1
   23   -1   -2    4    0.0345    0.2672    0.0342    0.2676    0.0005    1

###            No.220                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8948    1.0048    1.1632   87.4526   81.2469   75.3505      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8995    1.0046    1.1594   87.6586   80.9898   75.0864      0.0000         0.7758    0.8665
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0046    0.0174    0.0211    1.4616    0.8024    1.0554      0.0000         0.0145    0.0170
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4717    0.9154    0.5504)
 a2 = (    0.0144   -0.7457    0.7084)
 a3 = (    0.8373    0.1743    0.1586)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4750    0.9094    0.5494) (    0.0104    0.0067    0.0075)
 a2 = (    0.0194   -0.7509    0.7048) (    0.0228    0.0205    0.0119)
 a3 = (    0.8408    0.1731    0.1605) (    0.0151    0.0081    0.0069)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   29.5807   72.9981  108.1548    0.4972    1.0458    0.8845
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0013   -0.0012    0.0000      0.0037    0.0026    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.3625         3.3617
# Chi-squares at the beginning and the end of the refinement
    0.1208    0.0673
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2    5   -0.7328   -0.0578   -0.7289   -0.0565    0.0041    1
    2    2   -1    1    0.0088   -0.1999   -0.0133   -0.1793    0.0302    0
    3   -1    1    0   -0.0256    0.0876   -0.0241    0.0824    0.0054    1
    4    1    0    1   -0.1962   -0.5849   -0.1976   -0.5890    0.0043    1
    5    3   -1    0    0.0947   -0.2313    0.0566   -0.2258    0.0385    0
    6   -1    1    1   -0.1057    0.1188   -0.1046    0.1173    0.0019    1
    7    3    0    1    0.1180   -0.5964    0.1201   -0.5972    0.0022    1
    8    4   -1   -1    0.1438   -0.2223    0.1441   -0.2219    0.0004    1
    9   -1    1    4   -0.1943    0.0488   -0.1940    0.0483    0.0006    1
   10    1    0   -1    0.2267   -0.1283    0.2267   -0.1283    0.0000    1
   11    4    1   -1    0.5018   -0.5077    0.5314   -0.6143    0.1106    0
   12    0    0    1   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13    2    1   -5    0.1983   -0.0083    0.1981   -0.0091    0.0009    1
   14    2    1   -2    0.5306   -0.1501    0.5323   -0.1459    0.0045    1
   15    1    0    3   -0.3360   -0.2369   -0.3358   -0.2354    0.0015    1
   16    0    2   -5    0.1134    0.0645    0.1256    0.0356    0.0313    0
   17    3    2   -3    0.6424   -0.1206    0.7260   -0.0804    0.0928    0
   18    3    2   -1    1.0586   -0.5144    1.0655   -0.4953    0.0203    1
   19   -1    2   -4    0.0372    0.0406    0.0407    0.0272    0.0138    1
   20    1    2   -3    0.4434    0.1649    0.4436    0.1639    0.0011    1
   21    1   -1    2   -0.0347   -0.0587   -0.0357   -0.0605    0.0021    1
   22    0    1   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1    2   -1    0.0352    0.2696    0.0342    0.2676    0.0022    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2    5   -0.7279   -0.0540   -0.7289   -0.0565    0.0027    1
    2    2   -1    1    0.0107   -0.2029   -0.0133   -0.1793    0.0337    0
    3   -1    1    0   -0.0243    0.0848   -0.0241    0.0824    0.0024    1
    4    1    0    1   -0.1976   -0.5898   -0.1976   -0.5890    0.0009    1
    5    3   -1    0    0.0973   -0.2325    0.0566   -0.2258    0.0413    0
    6   -1    1    1   -0.1043    0.1164   -0.1046    0.1173    0.0009    1
    7    3    0    1    0.1219   -0.6003    0.1201   -0.5972    0.0037    1
    8    4   -1   -1    0.1461   -0.2224    0.1441   -0.2219    0.0021    1
    9   -1    1    4   -0.1932    0.0476   -0.1940    0.0483    0.0011    1
   10    1    0   -1    0.2264   -0.1272    0.2267   -0.1283    0.0012    1
   11    4    1   -1    0.5065   -0.5050    0.5314   -0.6143    0.1121    0
   12    0    0    1   -0.1819   -0.0389   -0.1815   -0.0378    0.0012    1
   13    2    1   -5    0.1960   -0.0089    0.1981   -0.0091    0.0022    1
   14    2    1   -2    0.5286   -0.1469    0.5323   -0.1459    0.0038    1
   15    1    0    3   -0.3374   -0.2375   -0.3358   -0.2354    0.0026    1
   16    0    2   -5    0.1115    0.0614    0.1256    0.0356    0.0294    0
   17    3    2   -3    0.6396   -0.1167    0.7260   -0.0804    0.0938    0
   18    3    2   -1    1.0645   -0.5041    1.0655   -0.4953    0.0089    1
   19   -1    2   -4    0.0363    0.0370    0.0407    0.0272    0.0107    1
   20    1    2   -3    0.4389    0.1633    0.4436    0.1639    0.0047    1
   21    1   -1    2   -0.0349   -0.0623   -0.0357   -0.0605    0.0020    1
   22    0    1   -1    0.2938    0.3279    0.2970    0.3320    0.0052    1
   23   -1    2   -1    0.0350    0.2653    0.0342    0.2676    0.0025    1

###            No.221                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8753    0.9884    1.3498   82.2118   72.0053   64.2101      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8575    1.0048    1.3552   82.4807   71.7001   64.4178      0.0000         0.6328    0.7415
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0085    0.0180    0.0262    1.1426    0.8573    1.0626      0.0000         0.0124    0.0144
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (   -0.4391    0.1557    1.2370)
 a2 = (    1.0701    0.3035   -0.1594)
 a3 = (   -0.2379    0.6268   -0.3966)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (   -0.4608    0.1654    1.2582) (    0.0223    0.0202    0.0083)
 a2 = (    1.0519    0.2994   -0.1455) (    0.0147    0.0118    0.0065)
 a3 = (   -0.2287    0.6222   -0.4057) (    0.0154    0.0159    0.0062)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
   73.2638  103.3102 -162.3106    1.0222    0.8665    0.5793
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0002   -0.0001    0.0000      0.0024    0.0031    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.0490         3.3016
# Chi-squares at the beginning and the end of the refinement
    0.3336    0.0786
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2   -1   -0.6747   -0.0473   -0.7289   -0.0565    0.0549    0
    2    1    1    2   -0.0149   -0.1647   -0.0133   -0.1793    0.0147    1
    3   -2   -1   -7   -0.0250    0.0849   -0.0241    0.0824    0.0026    1
    4    1    1    1   -0.2007   -0.5544   -0.1976   -0.5890    0.0347    0
    5    2    1    4    0.0536   -0.2202    0.0566   -0.2258    0.0063    1
    6   -1    1   -5   -0.0977    0.1081   -0.1046    0.1173    0.0115    1
    7    4    2    5    0.1083   -0.5864    0.1201   -0.5972    0.0160    1
    8    1    0    2    0.1438   -0.2216    0.1441   -0.2219    0.0004    1
    9    0    1   -1   -0.1709    0.0422   -0.1940    0.0483    0.0240    0
   10    1   -1    2    0.2319   -0.1292    0.2267   -0.1283    0.0053    1
   11    1    0    1    0.5314   -0.6143    0.5314   -0.6143    0.0000    1
   12    1    4    0   -0.1384   -0.0494   -0.1815   -0.0378    0.0446    0
   13    1   -3    2    0.2203   -0.0266    0.1981   -0.0091    0.0283    0
   14    1   -1    1    0.5323   -0.1459    0.5323   -0.1459    0.0000    1
   15    2    4    1   -0.3111   -0.2116   -0.3358   -0.2354    0.0343    0
   16    0   -1    0    0.1379    0.0391    0.1256    0.0356    0.0128    1
   17    2   -2    1    0.7284   -0.0741    0.7260   -0.0804    0.0067    1
   18    3   -1    2    0.8633   -0.4273    1.0655   -0.4953    0.2133    0
   19   -1   -4   -2    0.0358    0.0279    0.0407    0.0272    0.0050    1
   20    1   -3    0    0.4508    0.0932    0.4436    0.1639    0.0710    0
   21    1    2    2   -0.0275   -0.0453   -0.0357   -0.0605    0.0173    1
   22    0   -1   -1    0.2970    0.3320    0.2970    0.3320    0.0000    1
   23   -1   -2   -5    0.0353    0.2686    0.0342    0.2676    0.0014    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    1    2   -1   -0.7291   -0.0555   -0.7289   -0.0565    0.0011    1
    2    1    1    2   -0.0135   -0.1753   -0.0133   -0.1793    0.0041    1
    3   -2   -1   -7   -0.0254    0.0865   -0.0241    0.0824    0.0043    1
    4    1    1    1   -0.1950   -0.5854   -0.1976   -0.5890    0.0044    1
    5    2    1    4    0.0569   -0.2256    0.0566   -0.2258    0.0004    1
    6   -1    1   -5   -0.1041    0.1167   -0.1046    0.1173    0.0007    1
    7    4    2    5    0.1206   -0.5964    0.1201   -0.5972    0.0009    1
    8    1    0    2    0.1450   -0.2226    0.1441   -0.2219    0.0012    1
    9    0    1   -1   -0.1909    0.0480   -0.1940    0.0483    0.0032    1
   10    1   -1    2    0.2283   -0.1287    0.2267   -0.1283    0.0016    1
   11    1    0    1    0.5365   -0.6128    0.5314   -0.6143    0.0053    1
   12    1    5   -1   -0.1784   -0.0371   -0.1815   -0.0378    0.0032    1
   13    1   -3    2    0.2136   -0.0269    0.1981   -0.0091    0.0236    0
   14    1   -1    1    0.5314   -0.1491    0.5323   -0.1459    0.0033    1
   15    2    4    1   -0.3343   -0.2354   -0.3358   -0.2354    0.0015    1
   16    0   -1    0    0.1281    0.0363    0.1256    0.0356    0.0026    1
   17    2   -2    1    0.7295   -0.0796    0.7260   -0.0804    0.0036    1
   18    3   -1    2    0.8612   -0.4293    1.0655   -0.4953    0.2147    0
   19   -1   -4   -2    0.0254    0.0199    0.0407    0.0272    0.0170    1
   20    1   -3    0    0.4503    0.0910    0.4436    0.1639    0.0731    0
   21    1    2    2   -0.0338   -0.0576   -0.0357   -0.0605    0.0035    1
   22    0   -1   -1    0.2973    0.3325    0.2970    0.3320    0.0007    1
   23   -1   -2   -5    0.0349    0.2693    0.0342    0.2676    0.0018    1

###            No.222                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8510    1.0031    1.3600   82.5363   71.8526   65.0156      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8569    1.0026    1.3573   82.2145   71.4545   64.7535      0.0000         0.6313    0.7387
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0074    0.0180    0.0271    1.4215    0.8602    1.0984      0.0000         0.0117    0.0121
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.6833   -0.7928   -0.8569)
 a2 = (   -1.0492   -0.2976    0.1424)
 a3 = (   -0.2316    0.6165   -0.4063)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6865   -0.7888   -0.8512) (    0.0138    0.0115    0.0076)
 a2 = (   -1.0520   -0.2988    0.1415) (    0.0143    0.0111    0.0063)
 a3 = (   -0.2312    0.6216   -0.4050) (    0.0148    0.0153    0.0079)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -102.6509  139.6840 -155.3722    0.8100    0.4329    0.6746
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0004   -0.0003    0.0000      0.0024    0.0024    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         3.3924         3.1841
# Chi-squares at the beginning and the end of the refinement
    0.0375    0.0113
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -2   -2   -0.7323   -0.0604   -0.7289   -0.0565    0.0052    1
    2   -1   -1    1   -0.0141   -0.1794   -0.0133   -0.1793    0.0009    1
    3    2    1   -5   -0.0253    0.0851   -0.0241    0.0824    0.0030    1
    4   -1   -1    0   -0.1976   -0.5890   -0.1976   -0.5890    0.0000    1
    5   -2   -1    2    0.0574   -0.2291    0.0566   -0.2258    0.0034    1
    6    1   -1   -4   -0.1051    0.1170   -0.1046    0.1173    0.0005    1
    7   -3   -1    1    0.2016   -0.5386    0.1201   -0.5972    0.1003    0
    8   -1    0    1    0.1460   -0.2249    0.1441   -0.2219    0.0035    1
    9    0   -1   -1   -0.1940    0.0483   -0.1940    0.0483    0.0000    1
   10   -1    1    1    0.2286   -0.1294    0.2267   -0.1283    0.0022    1
   11   -1    0    0    0.5345   -0.6201    0.5314   -0.6143    0.0066    1
   12   -1   -5   -2   -0.1826   -0.0381   -0.1815   -0.0378    0.0011    1
   13   -1    4    1    0.1992   -0.0085    0.1981   -0.0091    0.0012    1
   14   -1    1    0    0.5332   -0.1524    0.5323   -0.1459    0.0065    1
   15   -2   -4   -1   -0.3382   -0.2385   -0.3358   -0.2354    0.0040    1
   16    0    1    0    0.1256    0.0356    0.1256    0.0356    0.0000    1
   17   -2    2   -1    0.7339   -0.0849    0.7260   -0.0804    0.0091    1
   18   -3    1   -1    0.8628   -0.4406    1.0655   -0.4953    0.2099    0
   19    1    5   -1    0.0417    0.0279    0.0407    0.0272    0.0011    1
   20   -1    4   -2    0.4461    0.1647    0.4436    0.1639    0.0027    1
   21   -1   -2    1   -0.0362   -0.0613   -0.0357   -0.0605    0.0010    1
   22    0    1   -1    0.2983    0.3335    0.2970    0.3320    0.0019    1
   23    1    2   -4    0.0341    0.2689    0.0342    0.2676    0.0013    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -2   -2   -0.7284   -0.0558   -0.7289   -0.0565    0.0008    1
    2   -1   -1    1   -0.0135   -0.1775   -0.0133   -0.1793    0.0019    1
    3    2    1   -5   -0.0249    0.0853   -0.0241    0.0824    0.0030    1
    4   -1   -1    0   -0.1966   -0.5866   -0.1976   -0.5890    0.0026    1
    5   -2   -1    2    0.0573   -0.2267    0.0566   -0.2258    0.0012    1
    6    1   -1   -4   -0.1043    0.1167   -0.1046    0.1173    0.0006    1
    7   -4   -2    1    0.1196   -0.5976    0.1201   -0.5972    0.0006    1
    8   -1    0    1    0.1450   -0.2226    0.1441   -0.2219    0.0011    1
    9    0   -1   -1   -0.1927    0.0483   -0.1940    0.0483    0.0014    1
   10   -1    1    1    0.2267   -0.1280    0.2267   -0.1283    0.0003    1
   11   -1    0    0    0.5348   -0.6143    0.5314   -0.6143    0.0034    1
   12   -1   -4   -1   -0.1621   -0.0593   -0.1815   -0.0378    0.0290    0
   13   -1    3    1    0.2108   -0.0268    0.1981   -0.0091    0.0218    0
   14   -1    1    0    0.5294   -0.1494    0.5323   -0.1459    0.0045    1
   15   -2   -4   -1   -0.3364   -0.2366   -0.3358   -0.2354    0.0014    1
   16    0    1    0    0.1249    0.0351    0.1256    0.0356    0.0009    1
   17   -2    2   -1    0.7280   -0.0807    0.7260   -0.0804    0.0020    1
   18   -3    1   -1    0.8601   -0.4319    1.0655   -0.4953    0.2149    0
   19    1    4   -1    0.0228    0.0174    0.0407    0.0272    0.0204    0
   20   -1    3   -1    0.4476    0.0900    0.4436    0.1639    0.0740    0
   21   -1   -2    1   -0.0352   -0.0605   -0.0357   -0.0605    0.0005    1
   22    0    1   -1    0.2954    0.3305    0.2970    0.3320    0.0022    1
   23    1    2   -4    0.0344    0.2670    0.0342    0.2676    0.0007    1

###            No.223                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.3822    1.6022    1.6346   92.4402   90.5773   90.3071      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.3811    1.6136    1.6260   90.4147   90.2455   90.0474      0.0000         0.2344    0.9923
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0000    0.0254    0.0350    0.8883    0.9569    1.2451      0.0000         0.0050    0.0235
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.5972   -2.4762   -0.5984)
 a2 = (   -0.3604   -0.2038    0.4678)
 a3 = (   -0.4929   -0.0382   -0.3614)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.6209   -2.4776   -0.6001) (    0.0263    0.0077    0.0158)
 a2 = (   -0.3407   -0.2015    0.4769) (    0.0098    0.0096    0.0082)
 a3 = (   -0.4944   -0.0386   -0.3637) (    0.0136    0.0084    0.0069)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
  -16.5504  126.5837  -85.9745    0.4716    0.6073    0.7248
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
    0.0001    0.0013    0.0000      0.0024    0.0034    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.4695         3.1758
# Chi-squares at the beginning and the end of the refinement
    0.3339    0.1221
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7289   -0.0565   -0.7289   -0.0565    0.0000    1
    2   -1   -1   -1   -0.0169   -0.1794   -0.0133   -0.1793    0.0036    1
    3    1    1   -1   -0.0224    0.0812   -0.0241    0.0824    0.0021    1
    4   -1    0   -3   -0.1980   -0.5821   -0.1976   -0.5890    0.0069    1
    5   -1    0    0    0.0551   -0.2284    0.0566   -0.2258    0.0030    1
    6    1    0   -3   -0.1020    0.1160   -0.1046    0.1173    0.0029    1
    7   -1    1   -1    0.1194   -0.5938    0.1201   -0.5972    0.0034    1
    8   -1    1    1    0.1441   -0.2219    0.1441   -0.2219    0.0000    1
    9    1   -2   -7   -0.1828    0.0690   -0.1940    0.0483    0.0236    0
   10   -1    3    3    0.2224   -0.1233    0.2267   -0.1283    0.0067    1
   11   -1    3    0    0.5338   -0.5931    0.5314   -0.6143    0.0213    1
   12    0   -1   -2   -0.1815   -0.0378   -0.1815   -0.0378    0.0000    1
   13   -1    5    5    0.2177   -0.0567    0.1981   -0.0091    0.0515    0
   14   -1    6    3    0.5109   -0.1373    0.5323   -0.1459    0.0231    1
   15   -1   -2   -7   -0.3452   -0.3044   -0.3358   -0.2354    0.0696    0
   16    0    1    1    0.1155    0.0328    0.1256    0.0356    0.0105    1
   17   -1    7    2    0.7266   -0.1722    0.7260   -0.0804    0.0919    0
   18   -1    6    0    1.0231   -0.4647    1.0655   -0.4953    0.0523    0
   19    1    4    3    0.0258    0.0378    0.0407    0.0272    0.0183    0
   20    0    2    1    0.4170    0.1532    0.4436    0.1639    0.0287    0
   21   -1   -3   -3   -0.0388   -0.0634   -0.0357   -0.0605    0.0042    1
   22    1    7    2    0.2340    0.3198    0.2970    0.3320    0.0642    0
   23    1    3    0    0.0399    0.2545    0.0342    0.2676    0.0143    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1    0    0   -1   -0.7311   -0.0558   -0.7289   -0.0565    0.0023    1
    2   -1   -1   -1   -0.0140   -0.1768   -0.0133   -0.1793    0.0026    1
    3    1    1   -1   -0.0245    0.0851   -0.0241    0.0824    0.0028    1
    4   -1    0   -3   -0.1952   -0.5859   -0.1976   -0.5890    0.0039    1
    5   -1    0    0    0.0572   -0.2266    0.0566   -0.2258    0.0011    1
    6    1    0   -3   -0.1032    0.1172   -0.1046    0.1173    0.0014    1
    7   -1    1   -1    0.1208   -0.5968    0.1201   -0.5972    0.0007    1
    8   -1    1    1    0.1458   -0.2227    0.1441   -0.2219    0.0019    1
    9    1   -2   -7   -0.1821    0.0703   -0.1940    0.0483    0.0250    0
   10   -1    3    3    0.2285   -0.1271    0.2267   -0.1283    0.0022    1
   11   -1    3    0    0.5375   -0.6115    0.5314   -0.6143    0.0067    1
   12    0   -1   -2   -0.1804   -0.0366   -0.1815   -0.0378    0.0017    1
   13   -1    5    5    0.2271   -0.0592    0.1981   -0.0091    0.0578    0
   14   -1    6    3    0.5305   -0.1462    0.5323   -0.1459    0.0018    1
   15   -1   -2   -7   -0.3457   -0.3081   -0.3358   -0.2354    0.0734    0
   16    0    1    1    0.1253    0.0373    0.1256    0.0356    0.0017    1
   17   -1    7    2    0.7574   -0.1864    0.7260   -0.0804    0.1106    0
   18   -1    6    0    1.0590   -0.5029    1.0655   -0.4953    0.0100    1
   19    0    5    6    0.0405    0.0120    0.0407    0.0272    0.0152    1
   20    0    2    1    0.4399    0.1665    0.4436    0.1639    0.0045    1
   21   -1   -3   -3   -0.0356   -0.0592   -0.0357   -0.0605    0.0013    1
   22    1    7    2    0.2376    0.3435    0.2970    0.3320    0.0604    0
   23    1    3    0    0.0346    0.2663    0.0342    0.2676    0.0014    1

###            No.224                ###
# Bravais type
       Triclinic
# a : b : c  alpha  beta  gamma (degree) scale_factor (before refinement)
    0.8536    1.0785    1.2619   65.0226   83.0813   71.7422      0.0000
# a : b : c  alpha  beta  gamma (degree) scale_factor, a/c, b/c (after refinement)
    0.8555    1.0804    1.2606   64.8190   82.4418   71.5109      0.0000         0.6787    0.8571
# propagation errors when the errors of the input angles are assumed to be within 1 deg.
    0.0047    0.0225    0.0199    1.1934    1.2406    0.9465      0.0000         0.0110    0.0136
# Buerger-reduced reciprocal_lattice basis (before refinement)
 a1 = (    0.0618   -0.6530   -1.0449)
 a2 = (   -0.7032    0.7883   -0.1660)
 a3 = (    0.8341    0.2366   -0.1127)
# Buerger-reduced reciprocal_lattice basis, propagation errors  (after refinement)
 a1 = (    0.0523   -0.6601   -1.0395) (    0.0187    0.0106    0.0067)
 a2 = (   -0.7045    0.7868   -0.1660) (    0.0181    0.0191    0.0083)
 a3 = (    0.8359    0.2384   -0.1134) (    0.0123    0.0089    0.0074)
# Euler angles: theta1, theta2, theta3, Error_theta1, Error_theta2, Error_theta3 (deg) (after refinement)
 -116.4174  109.6511  128.6239    0.7720    0.9652    0.9041
# Projection center shifts: Delta_x, Delta_y, Delta_z, Error_Delta_x, Error_Delta_y, Error_Delta_z, 
   -0.0001   -0.0005    0.0000      0.0029    0.0037    0.0000

# Number of computed bands
            400            400
# Figure of merit at the beginning and the end of the refinement
         2.9368         3.1590
# Chi-squares at the beginning and the end of the refinement
    0.0674    0.0187
# Indexing with the parameters before refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7407   -0.0508   -0.7289   -0.0565    0.0131    1
    2   -1    2    2   -0.0133   -0.1793   -0.0133   -0.1793    0.0000    1
    3    1   -4   -5    0.0089    0.0344   -0.0241    0.0824    0.0583    0
    4   -2    1    2   -0.1957   -0.5973   -0.1976   -0.5890    0.0085    1
    5   -1    2    1    0.0587   -0.2282    0.0566   -0.2258    0.0032    1
    6    0   -1    0   -0.1046    0.1173   -0.1046    0.1173    0.0000    1
    7   -3    2    1    0.1377   -0.6854    0.1201   -0.5972    0.0900    0
    8   -1    2    0    0.1468   -0.2230    0.1441   -0.2219    0.0029    1
    9   -1   -2    4   -0.1978   -0.0010   -0.1940    0.0483    0.0494    0
   10   -1    2   -2    0.2277   -0.1275    0.2267   -0.1283    0.0013    1
   11   -2    1   -1    0.5447   -0.6093    0.5314   -0.6143    0.0141    1
   12   -1   -1    4   -0.1834   -0.0374   -0.1815   -0.0378    0.0019    1
   13   -1    2   -4    0.2261   -0.0604    0.1981   -0.0091    0.0584    0
   14   -2    1   -4    0.5301   -0.1462    0.5323   -0.1459    0.0022    1
   15   -1    0    2   -0.3420   -0.2398   -0.3358   -0.2354    0.0076    1
   16    0    0   -1    0.1251    0.0355    0.1256    0.0356    0.0005    1
   17   -1    0   -2    0.7265   -0.0755    0.7260   -0.0804    0.0048    1
   18   -1    0   -1    1.0626   -0.4940    1.0655   -0.4953    0.0032    1
   19    1   -3   -6    0.0133    0.0208    0.0407    0.0272    0.0282    0
   20   -1   -1   -5    0.4413    0.1648    0.4436    0.1639    0.0025    1
   21   -1    2    4   -0.0360   -0.0612   -0.0357   -0.0605    0.0008    1
   22   -1   -3   -6    0.3538    0.3747    0.2970    0.3320    0.0711    0
   23    0   -1   -1    0.0342    0.2676    0.0342    0.2676    0.0000    1

# Indexing with the parameters after refinement
# Band_number, Miller_index, X_cal, Y_cal, X_obs, Y_obs, distance, good_fit?
    1   -1   -1    1   -0.7298   -0.0553   -0.7289   -0.0565    0.0015    1
    2   -1    2    2   -0.0137   -0.1768   -0.0133   -0.1793    0.0026    1
    3    1   -4   -5    0.0093    0.0354   -0.0241    0.0824    0.0577    0
    4   -2    1    2   -0.1961   -0.5876   -0.1976   -0.5890    0.0020    1
    5   -1    2    1    0.0571   -0.2263    0.0566   -0.2258    0.0008    1
    6    0   -1    0   -0.1049    0.1166   -0.1046    0.1173    0.0007    1
    7   -3    2    1    0.1308   -0.6802    0.1201   -0.5972    0.0837    0
    8   -1    2    0    0.1450   -0.2223    0.1441   -0.2219    0.0010    1
    9   -1   -2    4   -0.1953   -0.0022   -0.1940    0.0483    0.0505    0
   10   -1    2   -2    0.2268   -0.1277    0.2267   -0.1283    0.0006    1
   11   -2    1   -1    0.5378   -0.6115    0.5314   -0.6143    0.0069    1
   12   -1   -1    4   -0.1805   -0.0378   -0.1815   -0.0378    0.0011    1
   13   -1    2   -4    0.2256   -0.0606    0.1981   -0.0091    0.0584    0
   14   -2    1   -4    0.5290   -0.1475    0.5323   -0.1459    0.0036    1
   15   -1    0    2   -0.3362   -0.2365   -0.3358   -0.2354    0.0011    1
   16    0    0   -1    0.1254    0.0353    0.1256    0.0356    0.0004    1
   17   -1    0   -2    0.7262   -0.0778    0.7260   -0.0804    0.0026    1
   18   -1    0   -1    1.0592   -0.5035    1.0655   -0.4953    0.0104    1
   19    0    1   -3    0.0542   -0.0017    0.0407    0.0272    0.0319    0
   20   -1   -1   -5    0.4409    0.1643    0.4436    0.1639    0.0027    1
   21   -1    2    4   -0.0349   -0.0595   -0.0357   -0.0605    0.0013    1
   22   -1   -3   -6    0.3537    0.3743    0.2970    0.3320    0.0707    0
   23    0   -1   -1    0.0343    0.2677    0.0342    0.2676    0.0002    1

