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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R080102
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   28.4447 3.138954  -2  2  1    2   28.4508  3.138295    0.0061  0.000660
   30.0283 2.976733   0  2  1    2   30.0341  2.976170    0.0058  0.000563
   32.5202 2.753859   0  4  0    2   32.5153  2.754262   -0.0049 -0.000403
   33.7713 2.654540  -2  0  2    2   33.7687  2.654740   -0.0026 -0.000200
   35.3628 2.538517   2  0  0    2   35.3591  2.538777   -0.0037 -0.000260
   48.7748 1.866758   2  4  0    2   48.7757  1.866724    0.0009  0.000034
   68.0543 1.377133   0  8  0    2   68.0544  1.377131    0.0001  0.000002

 rmse = 0.00004727968
 
     A =7.645(2)               B =11.0171(5)              C =5.3251(9)           
 Alpha =90                  Beta =138.38(1)           Gamma =90                  
 
 Volume = 297.89(6)