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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050045
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.064
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   28.3258 3.155152   1  1  1    2   28.3281  3.154904    0.0023  0.000247
   47.0589 1.931958   2  2  0    2   47.0584  1.931976   -0.0005 -0.000018
   55.8140 1.647516   3  1  1    2   55.8111  1.647595   -0.0029 -0.000079
   68.7082 1.366130   4  0  0    2   68.7092  1.366114    0.0010  0.000017
   75.8844 1.253666   3  3  1    2   75.8869  1.253632    0.0025  0.000034
   87.4164 1.115413   4  2  2    2   87.4150  1.115427   -0.0014 -0.000014

 rmse = 0.00002584185
 
     A =     5.46445(6)        B =     5.46445(6)         C =     5.46445(6)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    163.170(5)