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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060296
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.003
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   44.7060 2.025522   3  2  2    2   44.7146  2.025152    0.0086  0.000370
   34.8157 2.574928   3  1  1    2   34.8225  2.574438    0.0068  0.000490
   35.7648 2.508737   2  1  3    2   35.7713  2.508293    0.0065  0.000443
   32.8566 2.723861   3  0  2    2   32.8627  2.723372    0.0061  0.000488
   41.0381 2.197699   2  3  0    2   41.0436  2.197416    0.0055  0.000283
   18.5087 4.790552   2  0  0    2   18.5141  4.789157    0.0054  0.001395
   30.3309 2.944702   1  1  3    2   30.3337  2.944436    0.0028  0.000266
   33.7110 2.656747   3  1  0    2   33.7136  2.656547    0.0026  0.000200
   19.3568 4.582497   1  0  2    2   19.3589  4.582011    0.0021  0.000486
   26.0331 3.420324   1  2  1    2   26.0334  3.420290    0.0003  0.000034
   37.9801 2.367333   1  3  2    2   37.9794  2.367374   -0.0007 -0.000041
   41.9878 2.150157   3  2  1    2   41.9856  2.150262   -0.0022 -0.000105
   50.2240 1.815136   3  3  1    2   50.2208  1.815245   -0.0032 -0.000109
   27.9277 3.192421   3  0  0    2   27.9246  3.192772   -0.0031 -0.000350
   16.0199 5.528895   1  1  0    2   16.0166  5.530043   -0.0033 -0.001148
   16.9857 5.216581   0  0  2    2   16.9818  5.217761   -0.0039 -0.001180
   47.4263 1.915484   5  0  0    2   47.4216  1.915663   -0.0047 -0.000179
   23.4288 3.794342   1  1  2    2   23.4240  3.795113   -0.0048 -0.000771
   25.2293 3.527457   2  0  2    2   25.2235  3.528255   -0.0058 -0.000798
   20.3969 4.351074   2  0  1    2   20.3893  4.352673   -0.0076 -0.001599
   18.1516 4.884001   1  1  1    2   18.1428  4.886348   -0.0088 -0.002347
   42.8083 2.110822   3  1  3    2   42.7988  2.111270   -0.0095 -0.000448
    9.2388 9.567478   1  0  0    2    9.2283  9.578315   -0.0105 -0.010837

 rmse = 0.00004443257
 
     A =11.0601(4)             B =11.0601(4)              C =10.436(1)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 1105.5(0)