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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060321
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.052
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.3805 5.424162   1  1  0    2   16.3766  5.425453   -0.0039 -0.001291
   18.9128 4.701213   1  0  1    2   18.9033  4.703554   -0.0095 -0.002341
   22.5272 3.952673   0  0  2    2   22.5189  3.954118   -0.0083 -0.001445
   23.4632 3.796715   0  1  2    2   23.4627  3.796788   -0.0005 -0.000073
   24.7797 3.597477   1  3  0    2   24.7776  3.597773   -0.0021 -0.000296
   26.2463 3.399287   0  4  0    2   26.2502  3.398786    0.0039  0.000501
   27.7576 3.217196  -1  1  2    2   27.7602  3.216896    0.0026  0.000300
   30.9596 2.890803   2  1  0    2   30.9589  2.890863   -0.0007 -0.000061
   32.8464 2.728662  -2  1  1    2   32.8518  2.728228    0.0054  0.000434
   35.1468 2.554891   2  2  1    2   35.1444  2.555063   -0.0024 -0.000171
   36.5851 2.457538   0  2  3    2   36.5819  2.457743   -0.0032 -0.000205
   37.1433 2.421825  -1  0  3    2   37.1462  2.421640    0.0029  0.000184
   39.7920 2.266298   0  6  0    2   39.8001  2.265857    0.0081  0.000441
   52.2606 1.750620   2  6  1    2   52.2617  1.750586    0.0011  0.000035
   53.3269 1.718067  -3  2  2    2   53.3255  1.718110   -0.0014 -0.000042
   56.3325 1.633233   1  8  0    2   56.3276  1.633363   -0.0049 -0.000130
   58.1449 1.586518   2  5  3    2   58.1465  1.586479    0.0016  0.000039
   65.5623 1.423683   3  4  3    2   65.5626  1.423676    0.0003  0.000007

 rmse = 0.00003730705
 
     A =5.9177(3)              B =13.5951(6)              C =7.9091(6)           
 Alpha =90                  Beta =90.870(4)           Gamma =90                  
 
 Volume = 636.24(4)