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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050081
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.029
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.9928 4.234095   2  2  0    2   20.9960  4.233452    0.0032  0.000643
   29.8612 2.992511   4  0  0    2   29.8511  2.993502   -0.0101 -0.000991
   33.4658 2.677686   4  2  0    2   33.4686  2.677470    0.0028  0.000216
   35.1453 2.553371   3  3  2    2   35.1525  2.552867    0.0072  0.000504
   36.7562 2.444989   4  2  2    2   36.7687  2.444184    0.0125  0.000805
   38.3319 2.347953   4  3  1    2   38.3261  2.348297   -0.0058 -0.000343
   41.2895 2.186222   5  2  1    2   41.2910  2.186145    0.0015  0.000076
   46.7570 1.942359   6  1  1    2   46.7549  1.942441   -0.0021 -0.000082
   52.9736 1.728003   4  4  4    2   52.9638  1.728299   -0.0098 -0.000297
   70.2748 1.338849   8  4  0    2   70.2816  1.338735    0.0068  0.000114
   74.2688 1.276391   6  6  4    2   74.2659  1.276434   -0.0029 -0.000043

 rmse = 0.00007033934
 
     A =    11.9740(4)         B =    11.9740(4)          C =    11.9740(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1716.7(2)