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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050612
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.013
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.4976 8.409879   0  0  1    2   10.4898  8.416111   -0.0078 -0.006233
   16.4907 5.366942   1  0  1    2   16.4936  5.366011    0.0029  0.000931
   17.9793 4.926117   1  1  0    2   17.9823  4.925302    0.0030  0.000815
   20.8614 4.252022   1  1  1    2   20.8671  4.250872    0.0057  0.001151
   24.6928 3.600604   1  0  2    2   24.6845  3.601792   -0.0083 -0.001188
   25.5433 3.482672   2  0  0    2   25.5430  3.482715   -0.0003 -0.000043
   27.6793 3.218700   2  0  1    2   27.6849  3.218062    0.0056  0.000638
   30.5691 2.920817   2  1  1    2   30.5634  2.921351   -0.0057 -0.000534
   34.4205 2.602423   1  0  3    2   34.4230  2.602240    0.0025  0.000183

 rmse = 0.00003379137
 
     A =6.9654(7)              B =6.9654(7)               C =8.416(1)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 408.33(8)