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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040023
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.8183 6.416890   1  1  0    2   13.8190  6.416588    0.0007  0.000302
   19.5734 4.538356   2  0  0    2   19.5784  4.537213    0.0050  0.001143
   24.0341 3.704151   2  1  1    2   24.0310  3.704619   -0.0031 -0.000468
   31.1760 2.869152   3  1  0    2   31.1712  2.869585   -0.0048 -0.000434
   34.2353 2.619215   2  2  2    2   34.2306  2.619561   -0.0047 -0.000346
   39.7190 2.269053   4  0  0    2   39.7271  2.268606    0.0081  0.000446
   42.2445 2.138964   3  3  0    2   42.2466  2.138863    0.0021  0.000101
   51.3236 1.779655   4  3  1    2   51.3240  1.779641    0.0004  0.000014
   57.4221 1.604195   4  4  0    2   57.4240  1.604147    0.0019  0.000048
   59.3587 1.556369   4  3  3    2   59.3637  1.556251    0.0050  0.000118
   61.2801 1.512071   4  4  2    2   61.2651  1.512404   -0.0150 -0.000334
   63.1171 1.472390   5  3  2    2   63.1326  1.472066    0.0155  0.000324
   68.5732 1.367881   6  2  2    2   68.5652  1.368021   -0.0080 -0.000140
   72.0869 1.309578   4  4  4    2   72.0740  1.309781   -0.0129 -0.000203
   77.2024 1.235029   7  2  1    2   77.2140  1.234873    0.0116  0.000156

 rmse = 0.00010857303
 
     A =9.0744(3)              B =9.0744(3)               C =9.0744(3)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 747.24(9)