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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060020
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.062
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   25.6130 3.483392   0  1  2    2   25.6176  3.482775    0.0046  0.000617
   35.1809 2.553192   1  0  4    2   35.1842  2.552960    0.0033  0.000233
   37.8049 2.381497   1  1  0    2   37.8070  2.381372    0.0021  0.000125
   43.3783 2.087108   1  1  3    2   43.3795  2.087054    0.0012  0.000054
   46.2017 1.965749   2  0  2    2   46.2010  1.965779   -0.0007 -0.000030
   52.5681 1.741399   0  2  4    2   52.5685  1.741387    0.0004  0.000011
   57.5166 1.602617   1  1  6    2   57.5128  1.602713   -0.0038 -0.000097
   59.7497 1.547880   2  1  1    2   59.7494  1.547886   -0.0003 -0.000007
   66.5214 1.405635   2  1  4    2   66.5202  1.405656   -0.0012 -0.000022
   68.2095 1.374869   3  0  0    2   68.2085  1.374886   -0.0010 -0.000017
   74.2977 1.276452   2  0  8    2   74.2958  1.276480   -0.0019 -0.000028
   80.6810 1.190699   2  2  0    2   80.6821  1.190686    0.0011  0.000013
   84.3340 1.148146   2  2  3    2   84.3343  1.148142    0.0003  0.000004
   88.9717 1.099858   0  2 10    2   88.9737  1.099839    0.0020  0.000019

 rmse = 0.00002364713
 
     A =4.76274(4)             B =4.76274(4)              C =13.0016(2)          
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 255.412(5)