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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 Calcite_CananXrayPowderProfile
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.017
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.0409 3.853995   0  1  2    2   23.0442  3.853452    0.0033  0.000543
   29.3937 3.034385   1  0  4    2   29.3929  3.034462   -0.0008 -0.000077
   31.4328 2.842142   0  0  6    2   31.4297  2.842419   -0.0031 -0.000277
   35.9626 2.494028   1  1  0    2   35.9635  2.493966    0.0009  0.000062
   39.4069 2.283708   1  1  3    2   39.4043  2.283854   -0.0026 -0.000146
   43.1550 2.093725   2  0  2    2   43.1551  2.093722    0.0001  0.000003
   47.1175 1.926533   0  2  4    2   47.1125  1.926726   -0.0050 -0.000193
   47.5115 1.911478   0  1  8    2   47.5060  1.911687   -0.0055 -0.000210
   48.5055 1.874618   1  1  6    2   48.5043  1.874660   -0.0012 -0.000042
   56.5616 1.625319   2  1  1    2   56.5641  1.625254    0.0025  0.000065
   57.3989 1.603591   1  2  2    2   57.4003  1.603556    0.0014  0.000035
   60.6741 1.524656   2  1  4    2   60.6715  1.524716   -0.0026 -0.000060
   60.9984 1.517327   2  0  8    2   61.0027  1.517231    0.0043  0.000096
   61.3710 1.509008   1  1  9    2   61.3795  1.508821    0.0085  0.000188
   63.0567 1.472674   1  2  5    2   63.0570  1.472668    0.0003  0.000007
   64.6624 1.439939   3  0  0    2   64.6648  1.439892    0.0024  0.000047
   65.6260 1.421115   0  0 12    2   65.6211  1.421209   -0.0049 -0.000094
   69.1926 1.356332   2  1  7    2   69.1944  1.356302    0.0018  0.000030
   70.2501 1.338487   0  2 10    2   70.2503  1.338484    0.0002  0.000003
   72.9009 1.296226   1  2  8    2   72.9020  1.296209    0.0011  0.000017
   77.1697 1.234838   1  1 12    2   77.1733  1.234789    0.0036  0.000049
   81.5425 1.179323   2  1 10    2   81.5388  1.179368   -0.0037 -0.000045
   83.7873 1.153353   1  3  4    2   83.7838  1.153392   -0.0035 -0.000040

 rmse = 0.00004372821
 
     A =4.98793(9)             B =4.98793(9)              C =17.0545(4)          
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 367.46(1)