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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050507
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.061
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.6744 5.031289   0  1  1    2   17.6845  5.028434    0.0101  0.002856
   19.2975 4.610265   0  2  0    2   19.3056  4.608348    0.0081  0.001917
   21.0866 4.221830   1  1  1    2   21.0898  4.221186    0.0032  0.000643
   22.4748 3.963386   1  2  0    2   22.4749  3.963366    0.0001  0.000019
   22.9288 3.885715   2  0  0    2   22.9394  3.883935    0.0106  0.001779
   24.9200 3.578792   2  1  0    2   24.9177  3.579124   -0.0023 -0.000333
   27.0018 3.306782   1  2  1    2   26.9998  3.307025   -0.0020 -0.000243
   27.3917 3.260485   2  0  1    2   27.3919  3.260458    0.0002  0.000027
   31.3468 2.856726   1  3  0    2   31.3448  2.856902   -0.0020 -0.000177
   34.8156 2.579127   1  3  1    2   34.8114  2.579432   -0.0042 -0.000304
   35.7445 2.514088   0  2  2    2   35.7426  2.514217   -0.0019 -0.000129
   36.0638 2.492520   3  1  0    2   36.0598  2.492787   -0.0040 -0.000268
   70.9613 1.328090   1  3  4    2   70.9614  1.328089    0.0001  0.000001
   72.4142 1.304956   4  5  1    2   72.4150  1.304943    0.0008  0.000013
   75.5385 1.258507   5  3  2    2   75.5384  1.258508   -0.0001 -0.000001
   83.0664 1.162420   2  6  3    2   83.0666  1.162418    0.0002  0.000003

 rmse = 0.00002910876
 
     A =     7.7678(3)         B =     9.2166(3)          C =     6.0000(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    429.57(1)