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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050395
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.140
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.2590 3.843930   2  1  1    2   23.2670  3.842617    0.0080  0.001314
   33.0741 2.717354   2  2  2    2   33.0768  2.717140    0.0027  0.000214
   45.2837 2.006750   3  3  2    2   45.2839  2.006741    0.0002  0.000009
   49.4675 1.845889   4  3  1    2   49.4662  1.845933   -0.0013 -0.000044
   55.2994 1.663727   4  4  0    2   55.2931  1.663902   -0.0063 -0.000175
   64.1979 1.452399   5  4  1    2   64.1992  1.452373    0.0013  0.000027
   65.9017 1.418835   6  2  2    2   65.8941  1.418980   -0.0076 -0.000145
   67.5590 1.387930   6  3  1    2   67.5667  1.387790    0.0077  0.000140
   69.2176 1.358599   4  4  4    2   69.2193  1.358570    0.0017  0.000029

 rmse = 0.00006198886
 
     A =     9.4124(3)         B =     9.4124(3)          C =     9.4124(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    833.88(7)