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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050550
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   25.6500 3.472552   1  1  1    2   25.6515  3.472349    0.0015  0.000202
   29.6984 3.007464   2  0  0    2   29.7016  3.007143    0.0032  0.000321
   42.4997 2.126155   2  2  0    2   42.4952  2.126371   -0.0045 -0.000216
   50.2846 1.813600   3  1  1    2   50.2913  1.813375    0.0067  0.000225
   67.8994 1.379607   3  3  1    2   67.8902  1.379772   -0.0092 -0.000165
   77.7356 1.227730   4  2  2    2   77.7408  1.227661    0.0052  0.000069

 rmse = 0.00007715640
 
     A =6.0143(2)              B =6.0143(2)               C =6.0143(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 217.55(3)