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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040168
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.040
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.7927 4.728106   2  1  1    2   18.7889  4.729046   -0.0038 -0.000940
   21.7295 4.094080   2  2  0    2   21.7220  4.095474   -0.0075 -0.001394
   28.8526 3.096071   3  2  1    2   28.8543  3.095887    0.0017  0.000184
   30.8871 2.896348   4  0  0    2   30.8916  2.895937    0.0045  0.000411
   34.6391 2.590363   4  2  0    2   34.6413  2.590205    0.0022  0.000158
   36.3851 2.469827   3  3  2    2   36.3876  2.469664    0.0025  0.000163
   38.0641 2.364539   4  2  2    2   38.0644  2.364523    0.0003  0.000016
   39.6861 2.271457   4  3  1    2   39.6806  2.271760   -0.0055 -0.000303
   42.7573 2.114985   5  2  1    2   42.7592  2.114894    0.0019  0.000092
   44.2329 2.047728   4  4  0    2   44.2327  2.047737   -0.0002 -0.000009
   48.4365 1.879229   5  3  2    2   48.4392  1.879132    0.0027  0.000097
   54.9083 1.671886   4  4  4    2   54.9053  1.671970   -0.0030 -0.000084
   57.3497 1.606328   6  4  0    2   57.3478  1.606377   -0.0019 -0.000049
   59.7255 1.547935   6  4  2    2   59.7252  1.547944   -0.0003 -0.000008
   64.3152 1.448029   8  0  0    2   64.3182  1.447969    0.0030  0.000060
   75.1419 1.263866   8  4  2    2   75.1402  1.263891   -0.0017 -0.000024
   77.2269 1.234845   6  6  4    2   77.2279  1.234832    0.0010  0.000013

 rmse = 0.00002761130
 
     A =    11.5837(1)         B =    11.5837(1)          C =    11.5837(1)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1554.34(5)