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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050048
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.035
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.1355 3.847048   0  1  2    2   23.1369  3.846812    0.0014  0.000236
   29.5020 3.028754   1  0  4    2   29.4977  3.029191   -0.0043 -0.000437
   36.0749 2.490019   1  1  0    2   36.0798  2.489693    0.0049  0.000327
   39.5248 2.280070   1  1  3    2   39.5274  2.279923    0.0026  0.000147
   43.2850 2.090148   2  0  2    2   43.2854  2.090128    0.0004  0.000019
   48.6509 1.871249   1  1  6    2   48.6464  1.871410   -0.0045 -0.000161
   57.5626 1.600753   1  2  2    2   57.5605  1.600806   -0.0021 -0.000053
   63.2267 1.470216   1  2  5    2   63.2308  1.470131    0.0041  0.000085
   64.8440 1.437380   3  0  0    2   64.8417  1.437425   -0.0023 -0.000045
   70.4429 1.336161   0  2 10    2   70.4435  1.336152    0.0006  0.000009

 rmse = 0.00003605037
 
     A =     4.9793(1)         B =     4.9793(1)          C =    17.0244(9)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    365.55(2)