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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040062
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.048
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.3551 6.185569   0  0  1    2   14.3650  6.181307    0.0099  0.004262
   18.5358 4.795156  -1  1  0    2   18.5417  4.793648    0.0059  0.001508
   19.0975 4.655012  -1 -1  1    2   19.1047  4.653273    0.0072  0.001739
   19.2807 4.611082   1  1  0    2   19.2833  4.610465    0.0026  0.000617
   23.0901 3.856654   0  2  0    2   23.0924  3.856271    0.0023  0.000383
   26.6216 3.351593  -2  0  1    2   26.6156  3.352337   -0.0060 -0.000744
   26.8335 3.325557   0 -2  1    2   26.8332  3.325593   -0.0003 -0.000036
   27.3258 3.266646   1 -1  1    2   27.3277  3.266417    0.0019  0.000229
   27.9058 3.199938  -1 -1  2    2   27.9066  3.199844    0.0008  0.000094
   30.1827 2.963142   2  0  0    2   30.1809  2.963313   -0.0018 -0.000171
   35.0176 2.563735  -2  2  1    2   35.0211  2.563486    0.0035  0.000249
   35.9742 2.497634  -2 -2  1    2   35.9719  2.497789   -0.0023 -0.000155
   36.6198 2.455011   0 -2  2    2   36.6220  2.454867    0.0022  0.000145
   37.5887 2.393845  -1  3  0    2   37.5862  2.393999   -0.0025 -0.000154
   37.9734 2.370443   0  2  2    2   37.9694  2.370685   -0.0040 -0.000242
   38.4882 2.339873  -2  2  2    2   38.4850  2.340060   -0.0032 -0.000187
   38.7537 2.324432   1  3  0    2   38.7515  2.324557   -0.0022 -0.000126
   39.0890 2.305237   2  2  0    2   39.0891  2.305233    0.0001  0.000004
   39.4033 2.287548   2  0  1    2   39.4055  2.287422    0.0022  0.000125
   41.0739 2.198172  -1  1  3    2   41.0745  2.198140    0.0006  0.000032
   42.5766 2.123914   1 -3  1    2   42.5778  2.123858    0.0012  0.000056
   43.0984 2.099372  -3 -1  2    2   43.0905  2.099741   -0.0079 -0.000369
   44.5133 2.035797   1  3  1    2   44.5116  2.035873   -0.0017 -0.000076
   46.4459 1.955401  -2 -2  3    2   46.4451  1.955433   -0.0008 -0.000032
   47.9913 1.895916   3  1  0    2   48.0029  1.895483    0.0116  0.000433
   50.9864 1.791244   0  2  3    2   50.9972  1.790888    0.0108  0.000356
   52.4348 1.745077  -2  0  4    2   52.4333  1.745124   -0.0015 -0.000047
   54.0146 1.697661  -1  3  3    2   54.0101  1.697791   -0.0045 -0.000130
   55.2493 1.662575   0 -4  2    2   55.2413  1.662797   -0.0080 -0.000221
   56.3357 1.633035   2 -2  2    2   56.3292  1.633208   -0.0065 -0.000173
   57.6858 1.597952  -3  3  0    2   57.6885  1.597883    0.0027  0.000070
   60.2109 1.536780   3  3  0    2   60.2091  1.536822   -0.0018 -0.000042
   60.8297 1.522608  -4 -2  2    2   60.8252  1.522710   -0.0045 -0.000102
   63.4701 1.465428  -4  0  4    2   63.4745  1.465337    0.0044  0.000091
   65.7611 1.419775  -1 -5  2    2   65.7693  1.419618    0.0082  0.000156
   81.1083 1.185325   0  4  4    2   81.1069  1.185342   -0.0014 -0.000018

 rmse = 0.00005435082
 
     A =     6.7076(3)         B =     7.7202(4)          C =     6.9946(3)      
 Alpha =    91.095(4)       Beta =   117.836(4)       Gamma =    91.530(4)       
 
 Volume =    319.98(2)