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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050304
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.057
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.9246 6.380760   1  0  1    2   13.9324  6.377191    0.0078  0.003568
   17.8231 4.988383   0  2  1    2   17.8274  4.987191    0.0043  0.001191
   19.2533 4.619826   3  0  0    2   19.2525  4.620027   -0.0008 -0.000201
   21.0323 4.231837   2  1  1    2   21.0290  4.232486   -0.0033 -0.000649
   22.2531 4.001762   2  2  0    2   22.2570  4.001061    0.0039  0.000701
   25.6662 3.475626   0  1  2    2   25.6595  3.476514   -0.0067 -0.000888
   29.5655 3.024617   4  1  0    2   29.5665  3.024518    0.0010  0.000099
   30.2003 2.962349   1  2  2    2   30.2029  2.962098    0.0026  0.000251
   34.7161 2.586014   0  5  1    2   34.7148  2.586106   -0.0013 -0.000092
   37.8181 2.380399   2  3  2    2   37.8134  2.380685   -0.0047 -0.000286
   38.2881 2.352209   5  1  1    2   38.2902  2.352087    0.0021  0.000122
   41.1695 2.193759   5  0  2    2   41.1575  2.194370   -0.0120 -0.000611
   41.5969 2.172170   4  3  1    2   41.6020  2.171914    0.0051  0.000255
   42.5464 2.125799   0  3  3    2   42.5478  2.125730    0.0014  0.000069
   44.2956 2.045718   1  5  2    2   44.2913  2.045908   -0.0043 -0.000190
   47.2493 1.924334   3  4  2    2   47.2579  1.924002    0.0086  0.000331
   48.5072 1.877270   1  4  3    2   48.5082  1.877234    0.0010  0.000037
   54.1383 1.694341   2  6  2    2   54.1289  1.694615   -0.0094 -0.000273
   55.2635 1.662441   0  6  3    2   55.2651  1.662397    0.0016  0.000043
   55.7757 1.648365   2  7  1    2   55.7855  1.648100    0.0098  0.000265
   57.6064 1.600205   5  5  0    2   57.5978  1.600424   -0.0086 -0.000219
   61.5203 1.507355   0  5  4    2   61.5324  1.507087    0.0121  0.000268
   74.3683 1.275342   5  0  5    2   74.3618  1.275438   -0.0065 -0.000096
   83.8958 1.152973  10  1  3    2   83.8972  1.152957    0.0014  0.000016

 rmse = 0.00006913119
 
     A =16.0042(7)             B =16.0042(7)              C =7.1826(4)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 1593.3(0)