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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050129
 
 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
   24.0338 3.708423   0  1  2    2   24.0439  3.706881    0.0101  0.001542
   30.8875 2.897860   1  0  4    2   30.8862  2.897975   -0.0013 -0.000115
   33.4200 2.683449   0  0  6    2   33.4225  2.683256    0.0025  0.000194
   35.2283 2.549512   0  1  5    2   35.2223  2.549932   -0.0060 -0.000420
   37.3270 2.410625   1  1  0    2   37.3207  2.411018   -0.0063 -0.000393
   41.0586 2.199432   1  1  3    2   41.0620  2.199259    0.0034  0.000174
   44.8625 2.021139   2  0  2    2   44.8630  2.021118    0.0005  0.000021
   49.1709 1.853440   0  2  4    2   49.1709  1.853441    0.0000  0.000000
   50.3443 1.812908   0  1  8    2   50.3442  1.812912   -0.0001 -0.000004
   50.9297 1.793412   2 -1  6    2   50.9302  1.793395    0.0005  0.000017
   59.7016 1.548897  -1  3  2    2   59.7020  1.548888    0.0004  0.000009

 rmse = 0.00003499090
 
     A =     4.8220(1)         B =     4.8220(1)          C =    16.0995(9)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    324.19(2)