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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050120
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.037
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1007 7.990549   1  0  0    2   11.1115  7.982767    0.0108  0.007782
   19.2670 4.611721   0  0  2    2   19.2655  4.612084   -0.0015 -0.000364
   22.2824 3.992941   1  0  2    2   22.2794  3.993482   -0.0030 -0.000541
   27.3752 3.259564   1  1  2    2   27.3707  3.260093   -0.0045 -0.000529
   31.1996 2.867705   2  1  1    2   31.1998  2.867689    0.0002  0.000016
   33.6853 2.661324   3  0  0    2   33.6905  2.660922    0.0052  0.000402
   35.5603 2.525032   2  1  2    2   35.5622  2.524903    0.0019  0.000129
   39.0588 2.306326   0  0  4    2   39.0638  2.306042    0.0050  0.000284
   41.9654 2.152919   3  1  1    2   41.9663  2.152875    0.0009  0.000044
   50.8149 1.796528   3  1  3    2   50.8099  1.796693   -0.0050 -0.000165
   53.5256 1.711699   4  1  1    2   53.5247  1.711726   -0.0009 -0.000027
   56.4388 1.630002   2  2  4    2   56.4371  1.630047   -0.0017 -0.000045
   61.1272 1.515656   4  1  3    2   61.1279  1.515640    0.0007  0.000016
   84.9991 1.140572   4  3  4    2   84.9973  1.140591   -0.0018 -0.000019
   87.1340 1.118021   5  2  4    2   87.1365  1.117995    0.0025  0.000026

 rmse = 0.00003086668
 
     A =     9.2177(2)         B =     9.2177(2)          C =     9.2241(5)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    678.74(3)