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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050005
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.037
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   28.5763 3.125045   1  1  1    2   28.5680  3.125937   -0.0083 -0.000892
   33.0971 2.707311   2  0  0    2   33.0992  2.707140    0.0021  0.000170
   47.4973 1.914073   2  2  0    2   47.4930  1.914237   -0.0043 -0.000164
   56.3408 1.632604   3  1  1    2   56.3459  1.632467    0.0051  0.000137
   59.0825 1.563166   2  2  2    2   59.0907  1.562968    0.0082  0.000198
   69.4168 1.353424   4  0  0    2   69.4082  1.353570   -0.0086 -0.000147
   76.6864 1.242153   3  3  1    2   76.6887  1.242121    0.0023  0.000031
   79.0621 1.210662   4  2  0    2   79.0615  1.210670   -0.0006 -0.000008

 rmse = 0.00007143018
 
     A =     5.4142(2)         B =     5.4142(2)          C =     5.4142(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    158.71(1)