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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050007
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.066
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.3524 5.125533   1  1  0    2   17.3588  5.123640    0.0064  0.001893
   20.0475 4.439878   2  0  0    2   20.0597  4.437202    0.0122  0.002676
   21.0806 4.223886   1  1  1    2   21.0887  4.222273    0.0081  0.001614
   23.3747 3.813096   2  0  1    2   23.3770  3.812729    0.0023  0.000367
   23.9189 3.727319   0  0  2    2   23.9224  3.726776    0.0035  0.000544
   25.9656 3.437227   1  0  2    2   25.9744  3.436086    0.0088  0.001141
   26.6245 3.353428   1  2  0    2   26.6182  3.354210   -0.0063 -0.000781
   29.2443 3.058025   1  2  1    2   29.2372  3.058759   -0.0071 -0.000733
   29.6741 3.014605   1  1  2    2   29.6818  3.013840    0.0077  0.000765
   30.2543 2.957975   3  0  0    2   30.2526  2.958135   -0.0017 -0.000159
   31.3895 2.853316   2  0  2    2   31.3845  2.853760   -0.0050 -0.000445
   38.5539 2.337066   3  1  1    2   38.5519  2.337183   -0.0020 -0.000117
   38.9111 2.316394   3  0  2    2   38.9012  2.316960   -0.0099 -0.000566
   40.3751 2.235577   1  1  3    2   40.3757  2.235547    0.0006  0.000030
   42.8648 2.111115   2  2  2    2   42.8644  2.111136   -0.0004 -0.000021
   44.1262 2.053558   1  3  2    2   44.1203  2.053821   -0.0059 -0.000263
   44.5385 2.035472   3  2  0    2   44.5280  2.035928   -0.0105 -0.000456
   45.4552 1.996471   2  1  3    2   45.4551  1.996475   -0.0001 -0.000004
   46.2457 1.964119   3  2  1    2   46.2492  1.963979    0.0035  0.000140
   46.9372 1.936741   1  4  0    2   46.9420  1.936554    0.0048  0.000187
   47.7427 1.905883   4  0  2    2   47.7299  1.906365   -0.0128 -0.000482
   48.8974 1.863481   0  0  4    2   48.9000  1.863388    0.0026  0.000093
   54.7433 1.677255   4  2  0    2   54.7486  1.677105    0.0053  0.000150
   55.1952 1.664571   3  3  1    2   55.1892  1.664737   -0.0060 -0.000166
   56.5112 1.628844   1  2  4    2   56.5088  1.628907   -0.0024 -0.000063
   57.5183 1.602663   5  0  2    2   57.5273  1.602432    0.0090  0.000230
   59.5465 1.552764   3  3  2    2   59.5530  1.552609    0.0065  0.000155
   66.4243 1.407521   3  3  3    2   66.4295  1.407424    0.0052  0.000097
   70.9791 1.327871   5  2  2    2   70.9841  1.327790    0.0050  0.000081
   76.4004 1.246490   4  2  4    2   76.3951  1.246564   -0.0053 -0.000074
   79.3533 1.207313   1  1  6    2   79.3559  1.207280    0.0026  0.000033
   89.4784 1.094968   6  1  4    2   89.4742  1.095009   -0.0042 -0.000041

 rmse = 0.00006262183
 
     A =    10.2472(3)         B =    10.2472(3)          C =     7.4535(3)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    677.81(3)