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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050433
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.009
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.5174 4.327095   2  1  1    2   20.5129  4.328041   -0.0045 -0.000945
   29.2040 3.056369   2  2  2    2   29.2002  3.056754   -0.0038 -0.000386
   33.7528 2.654030   4  0  0    2   33.7594  2.653530    0.0066  0.000500
   57.6038 1.599049   6  2  2    2   57.6018  1.599099   -0.0020 -0.000050
   60.5363 1.528403   4  4  4    2   60.5374  1.528377    0.0011  0.000026

 rmse = 0.00004061530
 
     A =    10.6141(7)         B =    10.6141(7)          C =    10.539(2)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1187.3(2)