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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040002
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1178 7.976170   1  0  0    2   11.1152  7.978045   -0.0026 -0.001875
   19.3351 4.594914   0  0  2    2   19.3362  4.594645    0.0011  0.000269
   22.3355 3.983040   1  0  2    2   22.3439  3.981558    0.0084  0.001482
   27.4330 3.252480   1  1  2    2   27.4289  3.252957   -0.0041 -0.000477
   29.6676 3.012106   2  0  2    2   29.6668  3.012190   -0.0008 -0.000084
   31.2291 2.864800   2  1  1    2   31.2257  2.865105   -0.0034 -0.000305
   35.6181 2.520863   2  1  2    2   35.6163  2.520988   -0.0018 -0.000124
   39.2190 2.297101   0  0  4    2   39.2151  2.297323   -0.0039 -0.000222
   41.9993 2.151116   3  1  1    2   41.9971  2.151225   -0.0022 -0.000110
   50.8963 1.793748   3  1  3    2   50.8988  1.793667    0.0025  0.000081
   53.5545 1.710757   4  1  1    2   53.5623  1.710525    0.0078  0.000232
   53.9154 1.700147   3  2  2    2   53.9086  1.700345   -0.0068 -0.000198
   57.7662 1.595566   5  0  0    2   57.7645  1.595609   -0.0017 -0.000043
   60.4236 1.531554   0  0  6    2   60.4238  1.531548    0.0002  0.000006
   61.2104 1.513728   4  1  3    2   61.2177  1.513564    0.0073  0.000164
   81.6177 1.179040   5  2  3    2   81.6149  1.179073   -0.0028 -0.000033

 rmse = 0.00004840275
 
     A =     9.2122(2)       B =     9.2122(2)        C =     9.1893(5)    
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    675.37(4)