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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050593
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.089
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.3383 5.805522   1  1  0    2   15.3295  5.808845   -0.0088 -0.003322
   26.6541 3.352673   2  1  1    2   26.6455  3.353738   -0.0086 -0.001065
   34.5995 2.596799   3  0  1    2   34.5859  2.597794   -0.0136 -0.000995
   41.1696 2.195382   3  1  2    2   41.1666  2.195537   -0.0030 -0.000154
   46.9564 1.936909   3  3  0    2   46.9725  1.936282    0.0161  0.000627
   49.6714 1.837017   4  2  0    2   49.6743  1.836918    0.0029  0.000099
   52.2788 1.751206   3  3  2    2   52.2716  1.751433   -0.0072 -0.000226
   57.2050 1.611310   4  3  1    2   57.2138  1.611084    0.0088  0.000227
   81.1204 1.185677   4  4  4    2   81.1164  1.185725   -0.0040 -0.000048

 rmse = 0.00009430572
 
     A =     8.2149(4)         B =     8.2149(4)          C =     8.2149(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    554.38(8)