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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050411
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.0183 4.670799   1  1  1    2   19.0251  4.669138    0.0068  0.001661
   31.2876 2.859544   2  2  0    2   31.2909  2.859252    0.0033  0.000292
   36.8624 2.438479   3  1  1    2   36.8640  2.438378    0.0016  0.000101
   38.5748 2.333984   2  2  2    2   38.5648  2.334569   -0.0100 -0.000585
   44.8249 2.021743   4  0  0    2   44.8236  2.021796   -0.0013 -0.000054
   55.6610 1.650850   4  2  2    2   55.6632  1.650790    0.0022  0.000060
   59.3658 1.556302   5  1  1    2   59.3626  1.556379   -0.0032 -0.000077
   65.2372 1.429634   4  4  0    2   65.2376  1.429626    0.0004  0.000009
   74.1097 1.278806   6  2  0    2   74.1171  1.278696    0.0074  0.000110
   77.3321 1.233338   5  3  3    2   77.3361  1.233284    0.0040  0.000054
   82.6249 1.167193   4  4  4    2   82.6170  1.167285   -0.0079 -0.000092

 rmse = 0.00006377565
 
     A =     8.0871(2)         B =     8.0871(2)          C =     8.0871(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    528.92(4)