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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050591
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.009
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   25.3587 3.510520   2  1  0    2   25.3674  3.509330    0.0087  0.001190
   25.7184 3.462215   1  1  1    2   25.7210  3.461872    0.0026  0.000342
   30.8383 2.897913   2  1  1    2   30.8393  2.897820    0.0010  0.000094
   32.8475 2.725052   0  2  0    2   32.8512  2.724753    0.0037  0.000299
   36.2967 2.473554   1  0  2    2   36.2951  2.473663   -0.0016 -0.000109
   37.3327 2.407241   0  2  1    2   37.3339  2.407165    0.0012  0.000076
   37.9967 2.366677   3  1  1    2   37.9921  2.366956   -0.0046 -0.000279
   39.2619 2.293260   4  0  0    2   39.2570  2.293533   -0.0049 -0.000274
   40.2113 2.241266   2  0  2    2   40.2109  2.241288   -0.0004 -0.000022
   42.3727 2.131783   2  2  1    2   42.3786  2.131499    0.0059  0.000284
   46.1197 1.966895   3  0  2    2   46.1188  1.966931   -0.0009 -0.000036
   48.0694 1.891556   3  2  1    2   48.0717  1.891470    0.0023  0.000086
   49.2196 1.850003   3  1  2    2   49.2166  1.850107   -0.0030 -0.000105
   49.7533 1.831397   1  2  2    2   49.7505  1.831495   -0.0028 -0.000097
   55.2817 1.660587   4  2  1    2   55.2851  1.660492    0.0034  0.000095
   55.7717 1.647150   5  1  1    2   55.7729  1.647118    0.0012  0.000032
   60.0733 1.539059   2  1  3    2   60.0733  1.539058    0.0000  0.000001
   62.1240 1.493081   5  0  2    2   62.1245  1.493069    0.0005  0.000011
   65.0853 1.432112   1  2  3    2   65.0829  1.432159   -0.0024 -0.000047
   65.9648 1.415131   6  1  1    2   65.9603  1.415216   -0.0045 -0.000085
   68.8755 1.362249   0  4  0    2   68.8681  1.362376   -0.0074 -0.000128
   70.5112 1.334598   3  3  2    2   70.5186  1.334477    0.0074  0.000122
   83.8030 1.153468   5  3  2    2   83.8055  1.153440    0.0025  0.000028

 rmse = 0.00004652514
 
     A =     9.1741(3)         B =     5.4495(2)          C =     5.1376(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    256.85(1)