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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050442
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.028
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   27.7711 3.212852   2  1  0    2   27.7733  3.212602    0.0022  0.000250
   29.0281 3.076389   0  0  2    2   29.0279  3.076410   -0.0002 -0.000021
   31.4154 2.847635   2  1  1    2   31.4137  2.847782   -0.0017 -0.000147
   40.5978 2.221800   2  1  2    2   40.5952  2.221938   -0.0026 -0.000137
   52.9501 1.728665   2  1  3    2   52.9490  1.728699   -0.0011 -0.000034
   58.0265 1.588858   2  3  2    2   58.0321  1.588719    0.0056  0.000139
   59.4481 1.554194   4  2  1    2   59.4474  1.554209   -0.0007 -0.000016
   75.0601 1.264857   0  4  3    2   75.0574  1.264895   -0.0027 -0.000038
   84.2034 1.149209   0  2  5    2   84.2042  1.149200    0.0008  0.000009

 rmse = 0.00003567920
 
     A =7.4183(4)              B =6.4276(3)               C =6.1528(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 293.38(2)