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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060405
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.1253 6.279601   1  1  0    2   14.1275  6.278622    0.0022  0.000979
   20.0130 4.440388   2  0  0    2   20.0163  4.439656    0.0033  0.000731
   24.5701 3.625033   2  1  1    2   24.5706  3.624964    0.0005  0.000069
   31.8788 2.807771   3  1  0    2   31.8775  2.807885   -0.0013 -0.000114
   35.0089 2.563326   2  2  2    2   35.0102  2.563237    0.0013  0.000089
   37.9151 2.373085   3  2  1    2   37.9149  2.373096   -0.0002 -0.000012
   43.2235 2.092910   4  1  1    2   43.2243  2.092874    0.0008  0.000036
   45.6910 1.985374   4  2  0    2   45.6886  1.985475   -0.0024 -0.000100
   48.0526 1.893101   3  3  2    2   48.0533  1.893076    0.0007  0.000025
   50.3320 1.812523   4  2  2    2   50.3332  1.812482    0.0012  0.000041
   52.5390 1.741412   4  3  1    2   52.5401  1.741377    0.0011  0.000035
   56.7754 1.621038   5  2  1    2   56.7717  1.621133   -0.0037 -0.000096
   58.8130 1.569608   4  4  0    2   58.8110  1.569656   -0.0020 -0.000048
   60.8099 1.522729   5  3  0    2   60.8072  1.522790   -0.0027 -0.000061
   62.7609 1.479977   6  0  0    2   62.7652  1.479885    0.0043  0.000091
   64.6888 1.440424   5  3  2    2   64.6893  1.440415    0.0005  0.000009
   68.4485 1.370140   5  4  1    2   68.4504  1.370108    0.0019  0.000033
   70.2976 1.338543   6  2  2    2   70.2937  1.338607   -0.0039 -0.000064
   72.1090 1.309294   6  3  1    2   72.1161  1.309183    0.0071  0.000111
   73.9239 1.281558   4  4  4    2   73.9198  1.281618   -0.0041 -0.000061

 rmse = 0.00003650886
 
     A =8.8793(1)              B =8.8793(1)               C =8.8793(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 700.06(2)