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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040056
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.019
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.7920 7.486347   1  0  0    2   11.7818  7.492817   -0.0102 -0.006470
   13.1269 6.729016   0  0  1    2   13.1135  6.735858   -0.0134 -0.006842
   17.0157 5.200656  -1  0  1    2   17.0065  5.203438   -0.0092 -0.002783
   18.3026 4.838170   1  0  1    2   18.3134  4.835342    0.0108  0.002828
   23.7080 3.746792   2  0  0    2   23.7105  3.746408    0.0025  0.000383
   26.4149 3.368936   0  0  2    2   26.4229  3.367929    0.0080  0.001007
   33.6664 2.658447  -1 -2  1    2   33.6664  2.658447    0.0000  0.000000
   34.4081 2.602853  -2  0  2    2   34.4236  2.601719    0.0155  0.001133
   35.9141 2.497143   3  0  0    2   35.9072  2.497606   -0.0069 -0.000463
   38.0053 2.364480   1 -2  2    2   38.0053  2.364480    0.0000  0.000000
   38.3301 2.345197   0  2  2    2   38.3301  2.345197    0.0000  0.000000
   41.0650 2.195176  -1  0  3    2   41.0543  2.195723   -0.0107 -0.000547
   54.4218 1.683978   0  0  4    2   54.4223  1.683965    0.0005  0.000013
   69.5085 1.350904   3  0  4    2   69.5092  1.350892    0.0007  0.000012

 rmse = 0.00007151013
 
     A =7.702(2)               B =6.868(2)                C =6.7545(6)           
 Alpha =90.53(2)            Beta =94.00(1)            Gamma =102.71(4)           
 
 Volume = 347.6(0)