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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050388
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.079
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   25.5636 3.492280   2  1  3    2   25.5659  3.491976    0.0023  0.000304
   33.0567 2.713890   2  2  4    2   33.0587  2.713733    0.0020  0.000157
   38.2308 2.356891   4  0  0    2   38.2345  2.356669    0.0037  0.000222
   38.5659 2.337137   0  0  8    2   38.5630  2.337307   -0.0029 -0.000170
   42.2179 2.142647   3  2  5    2   42.2156  2.142760   -0.0023 -0.000113
   48.5701 1.875768   4  3  1    2   48.5685  1.875824   -0.0016 -0.000057
   55.3904 1.659524   4  0  8    2   55.3902  1.659529   -0.0002 -0.000004
   65.7778 1.420048   6  2  4    2   65.7776  1.420051   -0.0002 -0.000003
   66.2227 1.411571   2  2 12    2   66.2238  1.411551    0.0011  0.000020

 rmse = 0.00002184048
 
     A =     9.4266(2)         B =     9.4266(2)          C =    18.6984(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1661.58(6)