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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060278
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.092
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   46.9255 1.938239   6  1  1    2   46.9379  1.937753    0.0124  0.000486
   36.9186 2.438633   4  2  2    2   36.9240  2.438286    0.0054  0.000347
   38.4816 2.342864   4  3  1    2   38.4856  2.342629    0.0040  0.000235
   57.7945 1.596324   6  4  2    2   57.7981  1.596233    0.0036  0.000091
   72.5471 1.303372   8  4  2    2   72.5506  1.303319    0.0035  0.000054
   33.6170 2.670862   4  2  0    2   33.6151  2.671009   -0.0019 -0.000147
   41.4615 2.180725   5  2  1    2   41.4586  2.180869   -0.0029 -0.000144
   29.9911 2.985991   4  0  0    2   29.9882  2.986278   -0.0029 -0.000287
   55.5187 1.656358   6  4  0    2   55.5139  1.656489   -0.0048 -0.000132
   35.3118 2.546122   3  3  2    2   35.3034  2.546707   -0.0084 -0.000585
   62.2143 1.492939   8  0  0    2   62.2050  1.493139   -0.0093 -0.000200

 rmse = 0.00007083167
 
     A =11.9451(4)             B =11.9451(4)              C =11.9451(4)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1704.4(2)