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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040066
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.053
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   30.1451 2.967227   4  0  0    2   30.1512  2.966643    0.0061  0.000584
   33.7994 2.653803   4  2  0    2   33.8041  2.653446    0.0047  0.000357
   35.5048 2.529952   3  3  2    2   35.5047  2.529962   -0.0001 -0.000009
   37.1411 2.422004   4  2  2    2   37.1371  2.422254   -0.0040 -0.000250
   38.7122 2.327113   4  3  1    2   38.7102  2.327226   -0.0020 -0.000113
   41.7035 2.166633   5  2  1    2   41.7056  2.166530    0.0021  0.000103
   43.1433 2.097514   4  4  0    2   43.1386  2.097733   -0.0047 -0.000219
   47.2283 1.924969   6  1  1    2   47.2272  1.925012   -0.0011 -0.000043
   48.5368 1.876031   6  2  0    2   48.5302  1.876270   -0.0066 -0.000239
   53.4931 1.713135   4  4  4    2   53.5046  1.712792    0.0115  0.000343
   55.8758 1.645525   6  4  0    2   55.8731  1.645597   -0.0027 -0.000072
   57.0301 1.614899   5  5  2    2   57.0325  1.614836    0.0024  0.000063
   58.1780 1.585709   6  4  2    2   58.1769  1.585737   -0.0011 -0.000028
   63.7060 1.460665   7  4  1    2   63.7055  1.460674   -0.0005 -0.000009
   71.0439 1.326609   8  4  0    2   71.0369  1.326723   -0.0070 -0.000114
   73.0708 1.294702   8  4  2    2   73.0677  1.294749   -0.0031 -0.000047
   80.0107 1.198871   9  4  1    2   80.0240  1.198705    0.0133  0.000166
   88.7711 1.101734   8  6  4    2   88.7661  1.101784   -0.0050 -0.000049

 rmse = 0.00007186536
 
     A =    11.8665(2)         B =    11.8665(2)          C =    11.8665(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1670.9(1)