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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050058
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.4864 9.347292   0  0  2    2    9.4872  9.346457    0.0008  0.000835
   19.0097 4.672591   0  0  4    2   19.0071  4.673228   -0.0026 -0.000638
   25.6782 3.470720  -1  1  4    2   25.6781  3.470737   -0.0001 -0.000017
   28.6622 3.115397   0  0  6    2   28.6614  3.115486   -0.0008 -0.000089
   35.2004 2.549734   0  2  6    2   35.1994  2.549802   -0.0010 -0.000068
   38.5325 2.336378   1  3  2    2   38.5324  2.336383   -0.0001 -0.000005
   48.6986 1.869434   0  0 10    2   48.7026  1.869291    0.0040  0.000143
   55.1920 1.663737  -1  5  1    2   55.1921  1.663733    0.0001  0.000004
   59.3062 1.557695   0  0 12    2   59.3042  1.557743   -0.0020 -0.000048

 rmse = 0.00002377730
 
     A =     4.774(1)          B =     8.8749(5)          C =    19.246(1)       
 Alpha =    90.             Beta =   103.77(1)        Gamma =    90.             
 
 Volume =    792.1(2)