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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050281
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.053
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.4170 7.152835   1  0  1    2   12.4337  7.143226    0.0167  0.009609
   17.8695 4.974224   2  0  0    2   17.8788  4.971640    0.0093  0.002584
   21.4533 4.148633   1  1  2    2   21.4647  4.146449    0.0114  0.002184
   21.8030 4.082715   2  1  1    2   21.8145  4.080592    0.0115  0.002123
   27.5859 3.236929   1  0  3    2   27.5897  3.236492    0.0038  0.000437
   33.4429 2.681310   3  1  2    2   33.4411  2.681453   -0.0018 -0.000143
   34.9630 2.567959   0  0  4    2   34.9741  2.567167    0.0111  0.000791
   38.3774 2.346663   4  1  1    2   38.3594  2.347725   -0.0180 -0.001062
   40.5799 2.224066   4  2  0    2   40.5929  2.223385    0.0130  0.000681
   43.6742 2.073204   2  2  4    2   43.6737  2.073224   -0.0005 -0.000020
   45.6281 1.988761   3  1  4    2   45.6326  1.988574    0.0045  0.000187
   46.5426 1.951748   5  0  1    2   46.5266  1.952381   -0.0160 -0.000633
   51.1596 1.785735   4  0  4    2   51.1574  1.785806   -0.0022 -0.000071
   53.2706 1.719768   4  3  3    2   53.2792  1.719512    0.0086  0.000256
   61.7176 1.502903   3  1  6    2   61.7040  1.503203   -0.0136 -0.000300
   71.9641 1.311878   7  0  3    2   71.9576  1.311981   -0.0065 -0.000103
   79.7559 1.202060   6  3  5    2   79.7677  1.201911    0.0118  0.000149

 rmse = 0.00010801551
 
     A =9.9433(8)              B =9.9433(8)               C =10.269(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1015.3(0)