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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050252
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.027
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.5305 6.102137   1  1  0    2   14.5330  6.101081    0.0025  0.001056
   19.9950 4.442855   2  0  0    2   19.9942  4.443038   -0.0008 -0.000183
   20.3873 4.358129  -1  1  1    2   20.3929  4.356939    0.0056  0.001189
   21.1774 4.197078   0  2  0    2   21.1839  4.195802    0.0065  0.001276
   25.8814 3.443137   1  1  1    2   25.8822  3.443036    0.0008  0.000101
   28.0050 3.186434   0  2  1    2   28.0001  3.186986   -0.0049 -0.000552
   29.2808 3.050307   2  2  0    2   29.2785  3.050541   -0.0023 -0.000233
   30.6320 2.918647  -2  2  1    2   30.6378  2.918104    0.0058  0.000543
   31.2817 2.859442  -3  1  1    2   31.2834  2.859293    0.0017  0.000149
   32.0494 2.792621   3  1  0    2   32.0434  2.793132   -0.0060 -0.000511
   33.5950 2.667488   1  3  0    2   33.5867  2.668131   -0.0083 -0.000644
   35.1920 2.549918  -2  0  2    2   35.2057  2.548957    0.0137  0.000961
   38.2691 2.351522   2  2  1    2   38.2632  2.351869   -0.0059 -0.000347
   40.6084 2.221204   4  0  0    2   40.6024  2.221519   -0.0060 -0.000315
   42.1143 2.145145   3  1  1    2   42.1178  2.144977    0.0035  0.000168
   42.8972 2.107766   1  1  2    2   42.9035  2.107471    0.0063  0.000295
   43.9787 2.058377  -3  3  1    2   43.9690  2.058810   -0.0097 -0.000433
   47.1075 1.928619   0  4  1    2   47.1090  1.928563    0.0015  0.000056
   48.8483 1.863843  -2  4  1    2   48.8468  1.863896   -0.0015 -0.000052
   49.3310 1.846720  -5  1  1    2   49.3349  1.846582    0.0039  0.000138
   49.8754 1.827819  -4  2  2    2   49.8766  1.827777    0.0012  0.000043
   52.6166 1.738816   5  1  0    2   52.6220  1.738651    0.0054  0.000165
   55.7090 1.649349   1  5  0    2   55.7158  1.649164    0.0068  0.000185
   57.8431 1.593441   0  4  2    2   57.8410  1.593493   -0.0021 -0.000052
   58.8915 1.567537  -5  3  1    2   58.8836  1.567729   -0.0079 -0.000192
   60.6943 1.525199   4  4  0    2   60.6912  1.525270   -0.0031 -0.000071
   66.8538 1.398787   0  6  0    2   66.8639  1.398601    0.0101  0.000187
   69.0252 1.359971  -3  5  2    2   69.0175  1.360104   -0.0077 -0.000133
   70.8141 1.329925   5  3  1    2   70.8049  1.330076   -0.0092 -0.000150
   75.7323 1.255276   7  1  0    2   75.7406  1.255159    0.0083  0.000117

 rmse = 0.00007145267
 
     A =9.4666(5)              B =8.3916(4)               C =5.2199(6)           
 Alpha =90                  Beta =110.170(6)          Gamma =90                  
 
 Volume = 389.24(4)