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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040079
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.046
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.8567 4.713575   2  1  1    2   18.8697  4.710353    0.0130  0.003222
   21.8164 4.078986   2  2  0    2   21.8148  4.079285   -0.0016 -0.000299
   31.0299 2.883841   4  0  0    2   31.0227  2.884490   -0.0072 -0.000650
   34.7842 2.580284   4  2  0    2   34.7886  2.579966    0.0044  0.000318
   36.5451 2.459737   3  3  2    2   36.5426  2.459901   -0.0025 -0.000165
   38.2256 2.355245   4  2  2    2   38.2268  2.355176    0.0012  0.000069
   39.8561 2.262458   4  3  1    2   39.8502  2.262780   -0.0059 -0.000322
   42.9459 2.106389   5  2  1    2   42.9428  2.106534   -0.0031 -0.000144
   44.4211 2.039728   4  4  0    2   44.4231  2.039643    0.0020  0.000085
   48.6424 1.871953   5  3  2    2   48.6493  1.871704    0.0069  0.000248
   55.1507 1.665262   4  4  4    2   55.1471  1.665361   -0.0036 -0.000099
   57.5936 1.600243   6  4  0    2   57.6021  1.600027    0.0085  0.000216
   59.9948 1.541757   6  4  2    2   59.9919  1.541825   -0.0029 -0.000068
   64.6146 1.442149   8  0  0    2   64.6098  1.442245   -0.0048 -0.000096
   75.4941 1.258920   8  4  2    2   75.4959  1.258895    0.0018  0.000025
   77.5973 1.229946   6  6  4    2   77.5970  1.229951   -0.0003 -0.000005

 rmse = 0.00005037217
 
     A =    11.5379(2)         B =    11.5379(2)          C =    11.5379(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1535.98(9)