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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050142
 
 Symmetry constraint is: ORTHORHOMBIC
 
 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
   17.8326 4.982224   2  0  0    2   17.8381  4.980693    0.0055  0.001530
   21.2972 4.177196   1  0  1    2   21.2955  4.177518   -0.0017 -0.000323
   33.2903 2.692636   3  0  1    2   33.2899  2.692665   -0.0004 -0.000029
   34.7307 2.584045   2  1  0    2   34.7312  2.584007    0.0005  0.000038
   36.0829 2.490129   4  0  0    2   36.0796  2.490347   -0.0033 -0.000218
   36.7069 2.449165   1  1  1    2   36.7121  2.448832    0.0052  0.000333
   41.2278 2.190144   4  0  1    2   41.2269  2.190191   -0.0009 -0.000048
   47.2969 1.922021   4  1  0    2   47.2970  1.922018    0.0001  0.000002
   53.3093 1.718369   2  1  2    2   53.3090  1.718376   -0.0003 -0.000008
   55.3301 1.660245   6  0  0    2   55.3306  1.660231    0.0005  0.000014
   59.0437 1.564290   5  1  1    2   59.0403  1.564372   -0.0034 -0.000082
   63.9670 1.455162   6  1  0    2   63.9667  1.455169   -0.0003 -0.000007
   69.0664 1.359570   7  0  1    2   69.0686  1.359532    0.0022  0.000038

 rmse = 0.00002545134
 
     A =     9.9613(2)         B =     3.0226(2)          C =     4.6017(3)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    138.555(9)