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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060552
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.015
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.7435 5.629665   1  1  0    2   15.7445  5.629303    0.0010  0.000362
   22.8022 3.899234   0  2  0    2   22.8025  3.899186    0.0003  0.000049
   25.4827 3.494583   2  1  1    2   25.4829  3.494559    0.0002  0.000025
   27.6059 3.230296   0  1  4    2   27.6013  3.230823   -0.0046 -0.000527
   29.7462 3.002443   1  1  4    2   29.7526  3.001815    0.0064  0.000628
   31.1629 2.869036  -2  1  3    2   31.1571  2.869553   -0.0058 -0.000518
   35.9469 2.497258   1  2  4    2   35.9417  2.497605   -0.0052 -0.000346
   38.0051 2.366561   0  0  6    2   38.0056  2.366532    0.0005  0.000029
   38.4898 2.337855   1  3  2    2   38.4910  2.337786    0.0012  0.000069
   39.5368 2.278300   0  3  3    2   39.5342  2.278443   -0.0026 -0.000144
   39.7881 2.264482   0  1  6    2   39.7868  2.264555   -0.0013 -0.000074
   41.3776 2.181058   1  1  6    2   41.3766  2.181111   -0.0010 -0.000053
   41.7063 2.164619  -2  3  1    2   41.7014  2.164864   -0.0049 -0.000245
   45.6056 1.988135   2  3  3    2   45.6230  1.987418    0.0174  0.000717
   46.5595 1.949587   0  4  0    2   46.5594  1.949593   -0.0001 -0.000006
   57.9142 1.591361   4  3  1    2   57.9099  1.591469   -0.0043 -0.000108
   59.4323 1.554274  -5  1  2    2   59.4333  1.554252    0.0010  0.000023
   66.4285 1.406493  -1  5  4    2   66.4278  1.406505   -0.0007 -0.000013
   67.0178 1.395547  -4  3  5    2   67.0197  1.395512    0.0019  0.000034
   69.2590 1.355749   6  0  0    2   69.2607  1.355721    0.0017  0.000028
   71.1870 1.323681   5  3  3    2   71.1840  1.323729   -0.0030 -0.000048

 rmse = 0.00005407542
 
     A =8.1343(3)              B =7.7984(4)               C =14.199(1)           
 Alpha =90                  Beta =90.051(6)           Gamma =90                  
 
 Volume = 900.72(7)