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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050238
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.054
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.3348 8.597260   2  0  0    2   10.3469  8.587156    0.0121  0.010103
   13.0343 6.814721   1  1  0    2   13.0476  6.807750    0.0133  0.006971
   18.6606 4.764816   1  1  1    2   18.6511  4.767225   -0.0095 -0.002409
   19.6213 4.532990   3  1  0    2   19.6280  4.531447    0.0067  0.001542
   26.2069 3.404550   2  2  0    2   26.2122  3.403875    0.0053  0.000674
   27.4939 3.247720   4  1  1    2   27.5011  3.246882    0.0072  0.000838
   28.0405 3.185518   1  2  1    2   28.0428  3.185264    0.0023  0.000254
   31.9186 2.806115   4  2  0    2   31.9182  2.806153   -0.0004 -0.000039
   33.3485 2.688795   3  1  2    2   33.3582  2.688038    0.0097  0.000758
   34.0377 2.635825   4  0  2    2   34.0387  2.635750    0.0010  0.000076
   37.7683 2.383227   2  2  2    2   37.7620  2.383612   -0.0063 -0.000386
   38.6774 2.329197   7  1  0    2   38.6759  2.329284   -0.0015 -0.000087
   43.4189 2.084874   6  1  2    2   43.4067  2.085432   -0.0122 -0.000558
   50.3677 1.812011   2  4  0    2   50.3664  1.812054   -0.0013 -0.000043
   51.0389 1.789721   8  2  1    2   51.0349  1.789850   -0.0040 -0.000129
   52.1307 1.754738   8  1  2    2   52.1390  1.754479    0.0083  0.000259
   55.2996 1.661348   1  0  4    2   55.2892  1.661636   -0.0104 -0.000288
   59.9109 1.543904   7  3  2    2   59.9092  1.543944   -0.0017 -0.000040
   63.1913 1.471351   3  2  4    2   63.2014  1.471141    0.0101  0.000211

 rmse = 0.00007061980
 
     A =17.174(2)              B =7.4152(8)               C =6.6779(5)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 850.43(9)