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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R080016
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.094
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   26.0183 3.434065  -1  1  1    2   26.0076  3.435457   -0.0107 -0.001392
   34.7915 2.583226   0  2  2    2   34.7878  2.583490   -0.0037 -0.000264
   46.2866 1.963618   1  1  3    2   46.2839  1.963728   -0.0027 -0.000110
   36.9014 2.439846   1  2  1    2   36.8993  2.439981   -0.0021 -0.000135
   40.8181 2.213771   0  3  1    2   40.8182  2.213767    0.0001  0.000004
   37.8223 2.382381  -1  0  3    2   37.8231  2.382333    0.0008  0.000049
   26.4117 3.383617   0  1  2    2   26.4130  3.383457    0.0013  0.000161
   48.8308 1.866892   0  1  4    2   48.8326  1.866828    0.0018  0.000064
   33.7071 2.664043   1  2  0    2   33.7133  2.663567    0.0062  0.000477
   29.0632 3.079666   1  1  1    2   29.0715  3.078808    0.0083  0.000858

 rmse = 0.00004719475
 
     A =4.2244(9)              B =6.9297(7)               C =7.8653(6)           
 Alpha =90                  Beta =99.65(1)            Gamma =90                  
 
 Volume = 226.99(4)