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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050582
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.067
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.0530 6.326652   0  1  0    2   14.0529  6.326687   -0.0001 -0.000036
   16.2709 5.465366   0  0  1    2   16.2726  5.464811    0.0017  0.000555
   22.4371 3.970888   1  0  1    2   22.4351  3.971244   -0.0020 -0.000355
   24.0328 3.709992   0  1  1    2   24.0345  3.709735    0.0017  0.000256
   26.7874 3.333457   1  1  1    2   26.7919  3.332907    0.0045  0.000550
   28.2524 3.163436   0  2  0    2   28.2532  3.163344    0.0008  0.000092
   29.9624 2.986270  -1 -2  1    2   29.9648  2.986041    0.0024  0.000230
   31.5894 2.835750   2  0  0    2   31.5888  2.835799   -0.0006 -0.000049
   32.3837 2.767843   0 -1  2    2   32.3838  2.767834    0.0001  0.000009
   34.9438 2.570312  -1 -1  2    2   34.9461  2.570145    0.0023  0.000167
   39.0167 2.310405   0  1  2    2   39.0141  2.310553   -0.0026 -0.000148
   41.4458 2.180214  -1 -3  1    2   41.4387  2.180572   -0.0071 -0.000358
   54.9882 1.670378  -1 -4  1    2   54.9908  1.670306    0.0026  0.000072

 rmse = 0.00003424685
 
     A =     5.8259(8)         B =     6.7027(3)          C =     5.6415(5)      
 Alpha =   104.343(9)       Beta =    92.26(1)        Gamma =    76.82(2)        
 
 Volume =    207.78(3)