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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050127
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.023
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.0788 3.854330   0  1  2    2   23.0817  3.853851    0.0029  0.000479
   29.4274 3.035014   1  0  4    2   29.4293  3.034818    0.0019  0.000196
   31.4688 2.842488   0  0  6    2   31.4651  2.842814   -0.0037 -0.000326
   36.0007 2.494151   1  1  0    2   35.9999  2.494202   -0.0008 -0.000052
   39.4363 2.284293   1  1  3    2   39.4400  2.284086    0.0037  0.000207
   43.1920 2.093860   2  0  2    2   43.1906  2.093926   -0.0014 -0.000065
   47.5380 1.911987   0  1  8    2   47.5393  1.911937    0.0013  0.000050
   48.5345 1.875015   1  1  6    2   48.5384  1.874874    0.0039  0.000141
   56.5974 1.625428   2  1  1    2   56.5981  1.625408    0.0007  0.000020
   57.4385 1.603600   1  2  2    2   57.4342  1.603710   -0.0043 -0.000111
   60.7075 1.524805   2  1  4    2   60.7047  1.524869   -0.0028 -0.000065
   63.0901 1.472811   1  2  5    2   63.0897  1.472819   -0.0004 -0.000008
   64.6963 1.440058   3  0  0    2   64.6978  1.440028    0.0015  0.000030
   65.6533 1.421358   0  0 12    2   65.6508  1.421407   -0.0025 -0.000049
   70.2792 1.338667   0  2 10    2   70.2804  1.338647    0.0012  0.000019
   81.5657 1.179523   2  1 10    2   81.5672  1.179505    0.0015  0.000018

 rmse = 0.00002855236
 
     A =     4.98840(7)        B =     4.98840(7)         C =    17.0568(3)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    367.58(1)