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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060084
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.023
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    7.860311.271613   0  1  0    2    7.8640 11.266262    0.0037  0.005351
   12.8312 6.905987  -1  1  0    2   12.8409  6.900779    0.0097  0.005208
   13.2995 6.663423   0  0  1    2   13.3035  6.661433    0.0040  0.001990
   25.8260 3.449939  -2  2  0    2   25.8226  3.450389   -0.0034 -0.000450
   28.6339 3.117419  -1  0  2    2   28.6293  3.117910   -0.0046 -0.000491
   29.6934 3.008465   2 -2  1    2   29.6953  3.008275    0.0019  0.000190
   30.5287 2.927964   0 -2  2    2   30.5299  2.927847    0.0012  0.000116
   31.1020 2.875247  -1  4  0    2   31.1015  2.875290   -0.0005 -0.000043
   36.8128 2.440976  -3  2  0    2   36.8113  2.441071   -0.0015 -0.000095
   43.6116 2.074699   3  1  1    2   43.6117  2.074694    0.0001  0.000005
   44.7068 2.026357  -3  2  2    2   44.7083  2.026291    0.0015  0.000067

 rmse = 0.00002642817
 
     A =7.4662(7)              B =11.631(1)               C =6.684(1)            
 Alpha =91.64(2)            Beta =93.92(1)            Gamma =104.14(2)           
 
 Volume = 560.96(8)