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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050260
 
 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
   11.1634 7.930453   1  1  0    2   11.1580  7.934257   -0.0054 -0.003803
   14.0315 6.313415   1  0  1    2   14.0263  6.315728   -0.0052 -0.002313
   17.9535 4.940893   0  2  1    2   17.9518  4.941364   -0.0017 -0.000471
   19.3732 4.581607   3  0  0    2   19.3765  4.580845    0.0033  0.000762
   21.1813 4.194126   2  1  1    2   21.1797  4.194432   -0.0016 -0.000306
   22.4081 3.967042   2  2  0    2   22.4076  3.967128   -0.0005 -0.000086
   25.8794 3.441939   0  1  2    2   25.8770  3.442250   -0.0024 -0.000311
   26.5275 3.359251   1  3  1    2   26.5265  3.359377   -0.0010 -0.000126
   28.8518 3.093550   4  0  1    2   28.8521  3.093515    0.0003  0.000035
   29.7803 2.999127   4  1  0    2   29.7829  2.998867    0.0026  0.000260
   30.4592 2.933775   1  2  2    2   30.4566  2.934018   -0.0026 -0.000244
   31.0192 2.882048   3  2  1    2   31.0176  2.882191   -0.0016 -0.000143
   34.9937 2.563131   0  5  1    2   34.9859  2.563681   -0.0078 -0.000550
   37.9466 2.370105   0  0  3    2   37.9417  2.370398   -0.0049 -0.000293
   38.1284 2.359216   2  3  2    2   38.1327  2.358958    0.0043  0.000258
   38.6029 2.331290   5  1  1    2   38.5947  2.331769   -0.0082 -0.000479
   41.5041 2.174724   5  0  2    2   41.5074  2.174556    0.0033  0.000167
   41.9441 2.152914   4  3  1    2   41.9382  2.153203   -0.0059 -0.000289
   45.0701 2.010533   1  6  1    2   45.0771  2.010238    0.0070  0.000295
   47.6647 1.906932   3  4  2    2   47.6663  1.906874    0.0016  0.000059
   48.9534 1.859687   1  4  3    2   48.9553  1.859618    0.0019  0.000069
   49.4892 1.840794   6  2  1    2   49.4893  1.840790    0.0001  0.000004
   55.7786 1.647151   0  6  3    2   55.7797  1.647121    0.0011  0.000030
   56.2658 1.634034   2  7  1    2   56.2673  1.633995    0.0015  0.000039
   58.0923 1.586916   5  5  0    2   58.0949  1.586851    0.0026  0.000065
   60.9922 1.518207   7  2  2    2   60.9935  1.518178    0.0013  0.000029
   62.1493 1.492683   0  5  4    2   62.1464  1.492747   -0.0029 -0.000064
   69.6256 1.349511  10  0  1    2   69.6387  1.349289    0.0131  0.000222
   72.4056 1.304378  10  1  0    2   72.4052  1.304384   -0.0004 -0.000006
   75.1740 1.263051   5  0  5    2   75.1674  1.263146   -0.0066 -0.000095
   84.3450 1.147508   3  0  6    2   84.3533  1.147417    0.0083  0.000092
   84.7869 1.142651  10  1  3    2   84.7745  1.142786   -0.0124 -0.000135

 rmse = 0.00006285585
 
     A =15.8685(4)             B =15.8685(4)              C =7.1112(2)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 1550.76(8)