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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060289
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.029
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.7204 3.905534   0  1  3    2   22.7134  3.906717   -0.0070 -0.001183
   36.5751 2.452890   0  1  5    2   36.5711  2.453148   -0.0040 -0.000257
   53.1362 1.721334  -1  5  2    2   53.1345  1.721383   -0.0017 -0.000050
   81.8177 1.175909   0  6  8    2   81.8166  1.175922   -0.0011 -0.000013
   79.7728 1.200816   1  2  9    2   79.7727  1.200818   -0.0001 -0.000002
   78.1831 1.221194   0  8  4    2   78.1840  1.221182    0.0009  0.000012
   33.0904 2.702572  -1  2  1    2   33.0931  2.702360    0.0027  0.000212
   46.4139 1.953593   0  2  6    2   46.4198  1.953359    0.0059  0.000234

 rmse = 0.00004474535
 
     A =3.1746(5)              B =10.5971(4)              C =12.6798(9)          
 Alpha =90                  Beta =96.090(9)           Gamma =90                  
 
 Volume = 424.16(6)