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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050480
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.013
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   30.9303 2.889936  -3  1  2    2   30.9189  2.890975   -0.0114 -0.001039
   46.0212 1.971069  -1  1  6    2   46.0156  1.971298   -0.0056 -0.000228
   28.0506 3.179872   4  0  0    2   28.0456  3.180432   -0.0050 -0.000560
   45.0399 2.011720   5  1  2    2   45.0379  2.011805   -0.0020 -0.000085
   25.8924 3.439957   1  1  2    2   25.8913  3.440095   -0.0011 -0.000138
   47.4887 1.913508  -6  0  4    2   47.4924  1.913369    0.0037  0.000139
   40.8784 2.206456   0  2  0    2   40.8829  2.206223    0.0045  0.000233
   28.7728 3.101640  -2  0  4    2   28.7788  3.101005    0.0060  0.000635
   32.5767 2.747481   2  0  4    2   32.5868  2.746649    0.0101  0.000832

 rmse = 0.00006983241
 
     A =12.864(2)              B =4.4124(7)               C =13.224(2)           
 Alpha =90                  Beta =98.54(1)            Gamma =90                  
 
 Volume = 742.3(0)