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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050372
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.068
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.1426 5.872319   1  0  0    2   15.1489  5.869899    0.0063  0.002421
   16.1807 5.496242   0  0  1    2   16.1837  5.495241    0.0030  0.001001
   21.4530 4.151610   1  1  0    2   21.4580  4.150645    0.0050  0.000965
   22.2010 4.012965   1  0  1    2   22.2084  4.011638    0.0074  0.001327
   26.9641 3.312132   1  1  1    2   26.9648  3.312045    0.0007  0.000086
   30.4973 2.935121   2  0  0    2   30.4991  2.934949    0.0018  0.000172
   32.6287 2.747692   0  0  2    2   32.6296  2.747620    0.0009  0.000072
   34.6906 2.588631   2  0  1    2   34.6876  2.588848   -0.0030 -0.000217
   39.3594 2.291120   1  1  2    2   39.3596  2.291108    0.0002  0.000012
   43.6444 2.075242   2  2  0    2   43.6426  2.075323   -0.0018 -0.000081
   45.2319 2.005917   2  0  2    2   45.2342  2.005819    0.0023  0.000098
   46.8200 1.941412   2  2  1    2   46.8182  1.941483   -0.0018 -0.000071
   49.1153 1.855791   3  1  0    2   49.1031  1.856225   -0.0122 -0.000434
   49.8006 1.831812   0  0  3    2   49.8025  1.831747    0.0019  0.000065
   52.0228 1.758566   3  1  1    2   52.0216  1.758605   -0.0012 -0.000039
   54.7949 1.675860   1  1  3    2   54.7966  1.675811    0.0017  0.000049
   59.5046 1.553813   2  0  3    2   59.4994  1.553936   -0.0052 -0.000123
   60.1721 1.538143   3  1  2    2   60.1731  1.538119    0.0010  0.000024
   63.3849 1.467609   4  0  0    2   63.3914  1.467475    0.0065  0.000134
   65.8842 1.417800   4  0  1    2   65.8846  1.417792    0.0004  0.000008
   74.2871 1.276693   4  2  1    2   74.2908  1.276638    0.0037  0.000055
   86.3286 1.126702   5  1  1    2   86.3265  1.126724   -0.0021 -0.000022

 rmse = 0.00004484725
 
     A =     5.8698(1)         B =     5.8698(1)          C =     5.4952(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    189.342(9)