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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050629
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.011
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.8527 6.392265   1  0  0    2   13.8477  6.394565   -0.0050 -0.002299
   19.6492 4.516667   0  0  1    2   19.6582  4.514612    0.0090  0.002056
   31.2806 2.858094   1  1  1    2   31.2822  2.857956    0.0016  0.000139
   34.3513 2.609228   0  2  1    2   34.3515  2.609215    0.0002  0.000013
   37.1853 2.416564   1  2  0    2   37.1797  2.416918   -0.0056 -0.000354
   39.9110 2.257540   0  0  2    2   39.9153  2.257306    0.0043  0.000234
   49.4000 1.843733   0  2  2    2   49.3913  1.844037   -0.0087 -0.000305
   51.4865 1.773794   3  1  0    2   51.4946  1.773533    0.0081  0.000261
   68.9206 1.361500   0  2  3    2   68.9153  1.361591   -0.0053 -0.000091
   70.5986 1.333191   5 -1  1    2   70.5994  1.333178    0.0008  0.000012
   72.3878 1.304576   0  4  2    2   72.3858  1.304608   -0.0020 -0.000032
   74.1674 1.277610   3 -1  3    2   74.1762  1.277481    0.0088  0.000130
   77.5590 1.229983   5 -2  2    2   77.5528  1.230067   -0.0062 -0.000083
   80.9355 1.186965  -1  5  2    2   80.9383  1.186931    0.0028  0.000034
   84.3443 1.147460  -1  4  3    2   84.3443  1.147460    0.0000  0.000000

 rmse = 0.00006573168
 
     A =     7.3838(3)         B =     7.3838(3)          C =     4.5146(2)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    213.16(1)