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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060827
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.027
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   26.1566 3.407476  -1  1  1    2   26.1570  3.407419    0.0004  0.000057
   33.9686 2.638965   0  2  0    2   33.9686  2.638963    0.0000  0.000003
   35.5663 2.523905   1  1  1    2   35.5718  2.523528    0.0055  0.000377
   37.2182 2.415509   0  0  2    2   37.2182  2.415509    0.0000  0.000000
   39.6823 2.270908  -1  2  1    2   39.6731  2.271415   -0.0092 -0.000507
   40.4227 2.230977  -2  0  2    2   40.4236  2.230929    0.0009  0.000049
   53.7869 1.703688  -2  2  2    2   53.7862  1.703710   -0.0007 -0.000022
   56.1712 1.636858  -1  3  1    2   56.1780  1.636674    0.0068  0.000183
   61.8099 1.500306   1  3  1    2   61.8063  1.500385   -0.0036 -0.000079

 rmse = 0.00006170795
 
     A =5.307(2)               B =5.2779(4)               C =5.307(1)            
 Alpha =90                  Beta =114.44(1)           Gamma =90                  
 
 Volume = 135.33(3)