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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050072
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.017
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   26.5189 3.360474   1  0  1    2   26.5209  3.360219    0.0020  0.000255
   28.1844 3.165445   0  0  3    2   28.1848  3.165401    0.0004  0.000044
   31.2146 2.864552   0  1  2    2   31.2101  2.864952   -0.0045 -0.000400
   43.6195 2.074052   1  1  0    2   43.6158  2.074220   -0.0037 -0.000168
   45.7966 1.980354   1  0  4    2   45.7889  1.980670   -0.0077 -0.000316
   51.7616 1.765209   0  2  1    2   51.7674  1.765026    0.0058  0.000183
   52.7401 1.734729   1  1  3    2   52.7339  1.734920   -0.0062 -0.000191
   58.2587 1.582808   0  0  6    2   58.2631  1.582701    0.0044  0.000108
   65.0751 1.432472   0  2  4    2   65.0749  1.432476   -0.0002 -0.000004
   69.9336 1.344339   2  1  1    2   69.9405  1.344222    0.0069  0.000116
   75.5076 1.258313   1  1  6    2   75.5124  1.258245    0.0048  0.000068
   88.4506 1.104541   1  2  5    2   88.4438  1.104609   -0.0068 -0.000067

 rmse = 0.00006783337
 
     A =     4.1484(2)         B =     4.1484(2)          C =     9.4962(5)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    141.53(1)