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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050458
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.016
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.4965 5.707547   1  0  1    2   15.4933  5.708734   -0.0032 -0.001186
   15.8726 5.573279   0  0  3    2   15.8686  5.574685   -0.0040 -0.001405
   18.0251 4.912882   0  1  2    2   18.0206  4.914102   -0.0045 -0.001220
   25.3639 3.506467   1  1  0    2   25.3633  3.506554   -0.0006 -0.000087
   25.8344 3.443703   1  0  4    2   25.8330  3.443884   -0.0014 -0.000181
   30.0653 2.968286   1  1  3    2   30.0664  2.968185    0.0011  0.000101
   31.2999 2.854022   2  0  2    2   31.2960  2.854367   -0.0039 -0.000345
   32.0666 2.787545   0  0  6    2   32.0690  2.787342    0.0024  0.000203
   36.5217 2.457228   0  2  4    2   36.5244  2.457051    0.0027  0.000177
   39.5833 2.274016   2  1  1    2   39.5790  2.274254   -0.0043 -0.000238
   40.0551 2.248323   2  0  5    2   40.0546  2.248353   -0.0005 -0.000030
   40.5272 2.223225   1  0  7    2   40.5255  2.223316   -0.0017 -0.000091
   41.3256 2.182115   1  1  6    2   41.3284  2.181972    0.0028  0.000144
   44.7059 2.024713   3  0  0    2   44.7106  2.024510    0.0047  0.000204
   44.9992 2.012200   2  1  4    2   44.9985  2.012230   -0.0007 -0.000030
   45.8470 1.976957   0  1  8    2   45.8535  1.976691    0.0065  0.000266
   47.7416 1.902856   0  3  3    2   47.7401  1.902911   -0.0015 -0.000056
   52.1044 1.753370   2  2  0    2   52.1074  1.753277    0.0030  0.000093
   53.1276 1.721997   2  0  8    2   53.1294  1.721942    0.0018  0.000055
   54.8286 1.672544   2  2  3    2   54.8298  1.672509    0.0012  0.000034
   55.9433 1.641839   1  1  9    2   55.9400  1.641928   -0.0033 -0.000088
   57.0588 1.612372   1  0 10    2   57.0579  1.612394   -0.0009 -0.000022
   61.5804 1.504410   3  1  5    2   61.5774  1.504476   -0.0030 -0.000066
   62.0588 1.493960   0  4  2    2   62.0591  1.493953    0.0003  0.000007
   62.5190 1.484067   2  2  6    2   62.5178  1.484092   -0.0012 -0.000025
   65.3177 1.427100   4  0  4    2   65.3134  1.427183   -0.0043 -0.000084
   73.3470 1.289463   4  1  3    2   73.3503  1.289413    0.0033  0.000050

 rmse = 0.00003083450
 
     A =7.0131(1)              B =7.0131(1)               C =16.7241(4)          
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 712.35(2)