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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050046
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.067
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   28.3379 3.154160   1  1  1    2   28.3339  3.154595   -0.0040 -0.000434
   47.0680 1.931723   2  2  0    2   47.0664  1.931787   -0.0016 -0.000064
   55.8223 1.647373   3  1  1    2   55.8201  1.647433   -0.0022 -0.000060
   68.7125 1.366108   4  0  0    2   68.7199  1.365980    0.0074  0.000129
   75.8986 1.253509   3  3  1    2   75.8986  1.253509    0.0000  0.000001
   87.4319 1.115286   4  2  2    2   87.4288  1.115318   -0.0031 -0.000032

 rmse = 0.00005312364
 
     A =     5.4639(1)         B =     5.4639(1)          C =     5.4639(1)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    163.12(1)