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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050243
 
 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
   12.1937 7.261381   0  2  0    2   12.1812  7.268809   -0.0125 -0.007428
   19.3007 4.598528   0  0  1    2   19.2985  4.599045   -0.0022 -0.000517
   20.2496 4.384971   0  1  1    2   20.2501  4.384858    0.0005  0.000113
   22.8757 3.886844   0  2  1    2   22.8780  3.886457    0.0023  0.000387
   25.7963 3.452767  -1  2  1    2   25.7958  3.452837   -0.0005 -0.000071
   29.0672 3.071040   1  1  1    2   29.0674  3.071017    0.0002  0.000023
   29.8328 2.993908   1  4  0    2   29.8314  2.994044   -0.0014 -0.000136
   30.9936 2.884318   1  2  1    2   30.9968  2.884029    0.0032  0.000289
   31.3473 2.852559   0  4  1    2   31.3592  2.851502    0.0119  0.001057
   33.5998 2.666211  -1  4  1    2   33.5979  2.666355   -0.0019 -0.000144
   33.9263 2.641284   2  0  0    2   33.9321  2.640847    0.0058  0.000437
   35.2212 2.547046   1  5  0    2   35.2206  2.547090   -0.0006 -0.000045
   37.0914 2.422749   0  6  0    2   37.0884  2.422936   -0.0030 -0.000187
   39.1665 2.298984   0  0  2    2   39.1570  2.299523   -0.0095 -0.000538
   39.6037 2.274597  -1  1  2    2   39.6104  2.274229    0.0067  0.000368
   39.9971 2.253119  -2  3  1    2   39.9885  2.253584   -0.0086 -0.000465
   43.8980 2.061451  -1  6  1    2   43.8954  2.061566   -0.0026 -0.000115
   46.2486 1.961966  -2  0  2    2   46.2503  1.961896    0.0017  0.000070
   49.6364 1.835657  -1  7  1    2   49.6395  1.835550    0.0031  0.000107
   81.4509 1.180804   1 12  0    2   81.4509  1.180805    0.0000  0.000000

 rmse = 0.00004651017
 
     A =5.4153(6)              B =14.5376(4)              C =4.7154(4)           
 Alpha =90                  Beta =102.752(8)          Gamma =90                  
 
 Volume = 362.06(4)