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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050036
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.057
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   30.1047 2.971541   4  0  0    2   30.1073  2.971294    0.0026  0.000247
   33.7588 2.657237   4  2  0    2   33.7540  2.657606   -0.0048 -0.000369
   35.4508 2.533987   3  3  2    2   35.4517  2.533928    0.0009  0.000059
   37.0825 2.425975   4  2  2    2   37.0813  2.426051   -0.0012 -0.000076
   38.6510 2.330913   4  3  1    2   38.6517  2.330875    0.0007  0.000038
   41.6383 2.170095   5  2  1    2   41.6417  2.169926    0.0034  0.000168
   47.1506 1.928130   6  1  1    2   47.1532  1.928030    0.0026  0.000100
   58.0725 1.588449   6  4  2    2   58.0815  1.588223    0.0090  0.000226
   70.9254 1.328606   8  4  0    2   70.9133  1.328803   -0.0121 -0.000197
   72.9426 1.296729   8  4  2    2   72.9393  1.296779   -0.0033 -0.000050
   74.9451 1.266941   6  6  4    2   74.9435  1.266964   -0.0016 -0.000023
   88.5885 1.103576   8  6  4    2   88.5951  1.103511    0.0066  0.000066

 rmse = 0.00007198059
 
     A =    11.8851(3)         B =    11.8851(3)          C =    11.8851(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1678.8(1)