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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040099
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.042
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   28.3068 3.154769   1  1  1    2   28.3083  3.154606    0.0015  0.000163
   47.0436 1.931679   2  2  0    2   47.0406  1.931794   -0.0030 -0.000115
   55.7953 1.647413   3  1  1    2   55.7943  1.647439   -0.0010 -0.000026
   68.6927 1.366008   4  0  0    2   68.6941  1.365984    0.0014  0.000024
   75.8694 1.253561   3  3  1    2   75.8728  1.253513    0.0034  0.000048
   87.4053 1.115297   4  2  2    2   87.4028  1.115322   -0.0025 -0.000025

 rmse = 0.00003238662
 
     A =     5.46393(7)        B =     5.46393(7)         C =     5.46393(7)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    163.123(6)