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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050092
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.025
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.3055 5.439912   1  1  1    2   16.3085  5.438903    0.0030  0.001008
   26.7668 3.330870   2  2  0    2   26.7687  3.330634    0.0019  0.000236
   31.4991 2.840015   3  1  1    2   31.4950  2.840375   -0.0041 -0.000359
   38.2082 2.355018   4  0  0    2   38.2066  2.355114   -0.0016 -0.000096
   50.3042 1.813166   5  1  1    2   50.3101  1.812968    0.0059  0.000198
   55.1314 1.665209   4  4  0    2   55.1275  1.665317   -0.0039 -0.000109
   57.8843 1.592356   5  3  1    2   57.8846  1.592348    0.0003  0.000008

 rmse = 0.00003692852
 
     A =     9.4204(3)         B =     9.4204(3)          C =     9.4204(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    836.01(7)