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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050511
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.038
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.0236 5.907053   1  0  1    2   15.0281  5.905279    0.0045  0.001773
   15.8294 5.607393   0  0  2    2   15.8302  5.607118    0.0008  0.000275
   16.4857 5.385091   0  1  1    2   16.4861  5.384965    0.0004  0.000126
   19.3156 4.600477   1  1  0    2   19.3174  4.600051    0.0018  0.000426
   20.8969 4.255148   1  1  1    2   20.8931  4.255911   -0.0038 -0.000763
   21.4806 4.140616   0  1  2    2   21.4831  4.140141    0.0025  0.000475
   25.0595 3.555885   1  1  2    2   25.0559  3.556382   -0.0036 -0.000497
   25.6669 3.472971   2  0  0    2   25.6652  3.473200   -0.0017 -0.000229
   27.1061 3.291492   1  0  3    2   27.1042  3.291723   -0.0019 -0.000231
   29.5605 3.023194   2  1  0    2   29.5630  3.022943    0.0025  0.000251
   31.9314 2.803655   0  0  4    2   31.9325  2.803559    0.0011  0.000096

 rmse = 0.00001634779
 
     A =     6.9464(5)         B =     6.1390(9)          C =    11.2142(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    478.22(6)