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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050220
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.2941 6.205322   1  1  0    2   14.3035  6.201242    0.0094  0.004080
   19.7694 4.494473   2  0  0    2   19.7753  4.493137    0.0059  0.001335
   20.4257 4.351285  -1  1  1    2   20.4252  4.351396   -0.0005 -0.000110
   20.7464 4.284635   0  2  0    2   20.7485  4.284201    0.0021  0.000434
   27.4729 3.247690   0  2  1    2   27.4678  3.248285   -0.0051 -0.000596
   28.8026 3.100538   2  2  0    2   28.8018  3.100621   -0.0008 -0.000083
   30.6295 2.919442  -2  2  1    2   30.6316  2.919249    0.0021  0.000193
   37.2060 2.416661   2  2  1    2   37.2114  2.416324    0.0054  0.000337
   40.9426 2.204141   3  1  1    2   40.9400  2.204276   -0.0026 -0.000136
   44.2708 2.045728  -4  2  1    2   44.2738  2.045597    0.0030  0.000131
   46.1246 1.967671   0  4  1    2   46.1190  1.967897   -0.0056 -0.000226
   47.1463 1.927354  -1  3  2    2   47.1435  1.927461   -0.0028 -0.000107
   48.2147 1.887082  -2  4  1    2   48.2127  1.887156   -0.0020 -0.000074
   49.5932 1.837773  -5  1  1    2   49.5932  1.837772    0.0000  0.000001
   51.9753 1.758953   5  1  0    2   51.9746  1.758977   -0.0007 -0.000024
   54.4931 1.683432   1  5  0    2   54.4961  1.683345    0.0030  0.000087
   57.1927 1.610171  -2  2  3    2   57.1960  1.610087    0.0033  0.000084
   58.7458 1.571225  -5  3  1    2   58.7448  1.571249   -0.0010 -0.000024
   59.6158 1.550344   4  4  0    2   59.6172  1.550310    0.0014  0.000033
   63.5694 1.463062   4  0  2    2   63.5688  1.463075   -0.0006 -0.000013
   65.3151 1.428097   0  6  0    2   65.3167  1.428067    0.0016  0.000030
   68.4201 1.370627  -3  5  2    2   68.4153  1.370712   -0.0048 -0.000085
   82.5911 1.167573   1  7  1    2   82.5925  1.167557    0.0014  0.000016
   84.8711 1.141920  -6  0  4    2   84.8715  1.141915    0.0004  0.000004

 rmse = 0.00003251814
 
     A =     9.4257(3)         B =     8.5684(1)          C =     5.2255(2)      
 Alpha =    90.             Beta =   107.565(2)       Gamma =    90.             
 
 Volume =    402.35(1)