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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060178
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.062
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.8999 8.156261   1  1  0    2   10.9046  8.152748    0.0047  0.003513
   14.3622 6.188388   0  2  0    2   14.3651  6.187160    0.0029  0.001228
   25.7250 3.468369   3  1  0    2   25.7299  3.467718    0.0049  0.000651
   29.3718 3.044598  -1  1  2    2   29.3651  3.045274   -0.0067 -0.000677
   31.3876 2.853124  -3  1  2    2   31.3808  2.853728   -0.0068 -0.000604
   31.8397 2.813557  -2  2  2    2   31.8482  2.812828    0.0085  0.000729
   33.3887 2.686241   2  4  0    2   33.3844  2.686581   -0.0043 -0.000341
   34.2365 2.621516   0  2  2    2   34.2335  2.621738   -0.0030 -0.000222
   35.9564 2.499750  -1  3  2    2   35.9616  2.499397    0.0052  0.000353
   43.6308 2.075571  -3  1  3    2   43.6314  2.075543    0.0006  0.000028

 rmse = 0.00004909481
 
     A =11.923(3)              B =12.374(3)               C =6.3685(5)           
 Alpha =90                  Beta =114.63(2)           Gamma =90                  
 
 Volume = 854.1(0)