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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050300
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.065
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   24.1766 3.688001   0  1  2    2   24.2044  3.683810    0.0278  0.004191
   33.2001 2.701387   1  0  4    2   33.2057  2.700942    0.0056  0.000445
   35.6725 2.519276   1  1  0    2   35.6863  2.518330    0.0138  0.000947
   40.9283 2.206559   1  1  3    2   40.9113  2.207440   -0.0170 -0.000882
   49.5297 1.841115   0  2  4    2   49.5071  1.841905   -0.0226 -0.000790
   54.1090 1.695422   1  1  6    2   54.1052  1.695533   -0.0038 -0.000111
   62.4498 1.487284   2  1  4    2   62.4775  1.486691    0.0277  0.000593
   64.0590 1.453710   3  0  0    2   64.0468  1.453958   -0.0122 -0.000248

 rmse = 0.00022103766
 
     A =5.0367(9)              B =5.0367(9)               C =13.759(7)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 302.3(0)