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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060023
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.069
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.9503 6.866619   2  0  0    2   12.9616  6.860629    0.0113  0.005990
   31.9917 2.801099   4  2  2    2   31.9943  2.800878    0.0026  0.000221
   37.1122 2.424817   4  0  4    2   37.0982  2.425699   -0.0140 -0.000882
   41.6564 2.169759   6  0  2    2   41.6608  2.169539    0.0044  0.000220
   44.8232 2.023306   6  3  1    2   44.8282  2.023093    0.0050  0.000213
   48.7893 1.867464   6  3  3    2   48.7952  1.867252    0.0059  0.000212
   53.4478 1.714948   8  0  0    2   53.4408  1.715157   -0.0070 -0.000209
   66.0198 1.415224   9  3  2    2   66.0187  1.415245   -0.0011 -0.000021
   69.1413 1.358690   7  2  7    2   69.1430  1.358661    0.0017  0.000029

 rmse = 0.00006909122
 
     A =13.7213(7)             B =13.7213(7)              C =13.722(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 2583.6(0)