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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040128
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.037
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.9252 6.863242   2  0  0    2   12.9202  6.865903   -0.0050 -0.002661
   18.3066 4.851956   2  0  2    2   18.3011  4.853412   -0.0055 -0.001456
   31.9369 2.803095   4  2  2    2   31.9415  2.802702    0.0046  0.000393
   37.0551 2.426437   4  0  4    2   37.0508  2.426706   -0.0043 -0.000269
   56.9040 1.617770   6  0  6    2   56.9027  1.617804   -0.0013 -0.000034
   61.9029 1.498503   8  4  2    2   61.9159  1.498218    0.0130  0.000284
   62.7320 1.480665   9  2  1    2   62.7290  1.480728   -0.0030 -0.000063
   68.2868 1.373055   8  6  0    2   68.2797  1.373181   -0.0071 -0.000126
   78.1330 1.222726   5  1 10    2   78.1334  1.222721    0.0004  0.000005

 rmse = 0.00007877153
 
     A =    13.7318(7)         B =    13.7318(7)          C =    13.7232(10)     
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2587.6(3)