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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050308
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    6.331514.005245   0  0  6    2    6.3467 13.971494    0.0152  0.033751
   19.0607 4.658556   0  0 18    2   19.0664  4.657165    0.0057  0.001391
   25.0749 3.552014   1  1  0    2   25.0681  3.552956   -0.0068 -0.000942
   25.8694 3.444589   1  1  6    2   25.8788  3.443361    0.0094  0.001227
   28.1795 3.166978   1  1 12    2   28.1803  3.166891    0.0008  0.000087
   31.6818 2.824128   1  1 18    2   31.6743  2.824777   -0.0075 -0.000649
   38.6598 2.328582   0  0 36    2   38.6598  2.328582    0.0000 -0.000001
   44.1419 2.051099   3  0  0    2   44.1374  2.051300   -0.0045 -0.000201
   46.6118 1.947943   2 -1 36    2   46.6212  1.947572    0.0094  0.000372
   48.4838 1.876975   0  3 18    2   48.4758  1.877267   -0.0080 -0.000292
   51.4166 1.776534   2  2  0    2   51.4183  1.776478    0.0017  0.000056
   55.3268 1.659814   2  2 18    2   55.3265  1.659822   -0.0003 -0.000007
   60.0811 1.539277   3  0 36    2   60.0829  1.539234    0.0018  0.000042
   65.6024 1.422400   1  1 54    2   65.5956  1.422530   -0.0068 -0.000130
   66.1176 1.412555   4 -2 36    2   66.1264  1.412388    0.0088  0.000167
   70.0278 1.342911   1  4  0    2   70.0290  1.342891    0.0012  0.000020
   73.3351 1.290274   1  4 18    2   73.3321  1.290320   -0.0030 -0.000046

 rmse = 0.00006077493
 
     A =7.1059(2)              B =7.1059(2)               C =83.829(5)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 3665.8(0)