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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060639p
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  0.710710
 Wavelength #2 =  0.709270
 Wavelength #3 =  0.713590
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.020
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.8167 3.182215   0  0  2    2   12.8589  3.171796    0.0422  0.010419
   14.1906 2.875045   1  1  0    2   14.1392  2.885464   -0.0514 -0.010420
   15.5374 2.626850   1  1  1    2   15.5394  2.626516    0.0020  0.000334
   16.2626 2.510303   1  0  2    2   16.3020  2.504274    0.0394  0.006029
   21.8187 1.875515   1  0  3    2   21.7961  1.877441   -0.0226 -0.001927
   25.8694 1.585508   0  0  4    2   25.8629  1.585898   -0.0065 -0.000390
   29.7589 1.381946   2  1  3    2   29.7675  1.381554    0.0086  0.000393

 rmse = 0.00066880668
 
     A =4.081(4)               B =4.081(4)                C =6.344(5)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 105.6(2)