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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040063
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.050
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.5504 8.418032   1  1  0    2   10.5473  8.420511   -0.0031 -0.002479
   21.1372 4.209593   2  2  0    2   21.1338  4.210255   -0.0034 -0.000663
   22.9601 3.878600  -1  3  1    2   22.9554  3.879391   -0.0047 -0.000792
   26.3699 3.383339   1  3  1    2   26.3657  3.383863   -0.0042 -0.000524
   27.2416 3.276823   2  4  0    2   27.2438  3.276557    0.0022  0.000265
   31.9120 2.806347   3  3  0    2   31.9063  2.806837   -0.0057 -0.000490
   32.7968 2.732513  -3  3  1    2   32.7931  2.732815   -0.0037 -0.000302
   33.0966 2.708405   1  5  1    2   33.0947  2.708556   -0.0019 -0.000151
   34.5868 2.594876   0  6  1    2   34.5846  2.595037   -0.0022 -0.000161
   37.7487 2.384183   3  5  0    2   37.7470  2.384286   -0.0017 -0.000102
   38.5197 2.338155  -3  5  1    2   38.5153  2.338413   -0.0044 -0.000258
   39.1666 2.300964  -1  7  1    2   39.1678  2.300898    0.0012  0.000066
   39.6158 2.275869  -3  1  2    2   39.6062  2.276400   -0.0096 -0.000531
   41.7526 2.164060   2  6  1    2   41.7545  2.163964    0.0019  0.000097
   45.2864 2.002877   3  7  0    2   45.2950  2.002516    0.0086  0.000361
   48.0732 1.892953   5  1  0    2   48.0773  1.892801    0.0041  0.000152
   55.6779 1.650835   4  6  1    2   55.6784  1.650822    0.0005  0.000014
   56.8595 1.619272   1 11  0    2   56.8633  1.619173    0.0038  0.000099
   58.1548 1.586220   6  0  0    2   58.1614  1.586055    0.0066  0.000164
   60.3593 1.533403  -6  0  2    2   60.3678  1.533207    0.0085  0.000196
   63.7879 1.458929   3 11  0    2   63.7839  1.459011   -0.0040 -0.000082
   64.8137 1.438277  -6  6  1    2   64.8102  1.438347   -0.0035 -0.000070
   68.7595 1.364986   5  1  2    2   68.7612  1.364956    0.0017  0.000030
   80.7694 1.189471   8  0  0    2   80.7636  1.189542   -0.0058 -0.000071

 rmse = 0.00005448762
 
     A =     9.8387(3)         B =    18.0744(8)          C =     5.2830(6)      
 Alpha =    90.             Beta =   104.708(4)       Gamma =    90.             
 
 Volume =    908.69(10)