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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040075
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.043
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.848010.035093   0  0  1    2    8.8524 10.030052    0.0044  0.005041
   24.2996 3.666298  -1  1  2    2   24.3041  3.665633    0.0045  0.000665
   26.2622 3.396139   0  2  2    2   26.2616  3.396217   -0.0006 -0.000078
   26.6801 3.343798   0  0  3    2   26.6837  3.343351    0.0036  0.000448
   28.4045 3.144287   1  1  2    2   28.4054  3.144185    0.0009  0.000102
   30.6609 2.917510  -1  1  3    2   30.6551  2.918046   -0.0058 -0.000536
   33.1011 2.707511   0  2  3    2   33.0992  2.707663   -0.0019 -0.000152
   36.8926 2.437165  -1  3  2    2   36.8858  2.437598   -0.0068 -0.000433
   41.5117 2.175738  -1  3  3    2   41.5188  2.175381    0.0071  0.000357
   45.2034 2.006083   0  0  5    2   45.2051  2.006010    0.0017  0.000072
   65.0849 1.432802   0  0  7    2   65.0817  1.432865   -0.0032 -0.000063
   75.8554 1.253779   0  0  8    2   75.8570  1.253757    0.0016  0.000022

 rmse = 0.00004273032
 
     A =     5.332(2)        B =     9.231(2)         C =    10.1890(6)    
 Alpha =    90.             Beta =   100.13(2)      Gamma =    90.             
 
 Volume =    493.7(2)