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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040030
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.045
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.0817 4.030237   1  0  1    2   22.0847  4.029704    0.0030  0.000533
   24.1186 3.693649   0  1  2    2   24.1169  3.693905   -0.0017 -0.000255
   31.0073 2.885775   1  0  4    2   31.0109  2.885447    0.0036  0.000328
   33.6015 2.668375   0  0  6    2   33.6038  2.668198    0.0023  0.000177
   35.3787 2.538128   0  1  5    2   35.3782  2.538166   -0.0005 -0.000038
   37.4187 2.404141   1  1  0    2   37.4217  2.403953    0.0030  0.000188
   41.1963 2.191749   2 -1  3    2   41.1949  2.191820   -0.0014 -0.000071
   43.8568 2.064624   0  2  1    2   43.8596  2.064501    0.0028  0.000123
   44.9990 2.014784   2  0  2    2   44.9974  2.014852   -0.0016 -0.000069
   49.3397 1.847046   0  2  4    2   49.3424  1.846952    0.0027  0.000094
   50.6094 1.803603   0  1  8    2   50.6079  1.803652   -0.0015 -0.000049
   51.1471 1.785881   1  1  6    2   51.1439  1.785987   -0.0032 -0.000106
   58.9696 1.566081   2  1  1    2   58.9644  1.566207   -0.0052 -0.000126
   59.8909 1.544154   1  2  2    2   59.8892  1.544195   -0.0017 -0.000040
   63.5073 1.464591   2  1  4    2   63.5069  1.464599   -0.0004 -0.000008
   64.5743 1.442926   2  0  8    2   64.5845  1.442724    0.0102  0.000203
   65.2364 1.429864   1  1  9    2   65.2341  1.429909   -0.0023 -0.000045
   66.1442 1.412409   1  2  5    2   66.1462  1.412371    0.0020  0.000039
   67.4643 1.387928   3  0  0    2   67.4646  1.387923    0.0003  0.000005
   70.5800 1.334059   0  0 12    2   70.5776  1.334099   -0.0024 -0.000040
   72.9504 1.296419   3 -1  7    2   72.9474  1.296464   -0.0030 -0.000045
   74.7799 1.269151   0  2 10    2   74.7846  1.269083    0.0047  0.000068
   77.0756 1.236952  -1  3  8    2   77.0687  1.237045   -0.0069 -0.000094
   82.7007 1.166441   2 -1 12    2   82.6950  1.166507   -0.0057 -0.000066
   86.7188 1.122387   2  1 10    2   86.7277  1.122294    0.0089  0.000093
   87.9760 1.109553  -3 -1  4    2   87.9756  1.109557   -0.0004 -0.000004

 rmse = 0.00005473802
 
     A =     4.8079(1)         B =     4.8079(1)          C =    16.0091(4)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    320.48(1)