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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060469
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.102
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.8694 6.426985   1  0  1    2   13.8784  6.422807    0.0090  0.004178
   14.7554 6.040307   2  0  0    2   14.7644  6.036630    0.0090  0.003677
   23.3787 3.818371   3  1  0    2   23.3816  3.817900    0.0029  0.000471
   25.1273 3.555386   3  0  1    2   25.1298  3.555043    0.0025  0.000343
   25.7841 3.465928   1  1  2    2   25.7837  3.465979   -0.0004 -0.000051
   29.2287 3.063393   2  3  1    2   29.2295  3.063307    0.0008  0.000085
   29.6752 3.018149   4  0  0    2   29.6735  3.018315   -0.0017 -0.000166
   32.8566 2.731898   1  4  1    2   32.8589  2.731713    0.0023  0.000186
   33.3694 2.690950   3  1  2    2   33.3729  2.690677    0.0035  0.000273
   39.2214 2.300818   4  3  1    2   39.2203  2.300881   -0.0011 -0.000063
   42.2754 2.140995   3  0  3    2   42.2766  2.140936    0.0012  0.000059
   44.9918 2.017543   3  2  3    2   44.9859  2.017792   -0.0059 -0.000250
   47.7004 1.908859   6  2  0    2   47.6980  1.908950   -0.0024 -0.000091
   48.0365 1.896257   0  0  4    2   48.0352  1.896305   -0.0013 -0.000048
   59.2308 1.561174   1  6  3    2   59.2280  1.561241   -0.0028 -0.000067
   68.7586 1.365913   8  2  2    2   68.7618  1.365856    0.0032  0.000057
   79.5466 1.205326   6  1  5    2   79.5486  1.205301    0.0020  0.000025
   84.1687 1.150428   8  6  2    2   84.1675  1.150441   -0.0012 -0.000013

 rmse = 0.00002859574
 
     A =    12.0732(2)         B =    12.0732(2)          C =     7.5852(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1105.64(3)