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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060414
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.075
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.7377 5.653059   1  0  1    2   15.7390  5.652577    0.0013  0.000482
   17.8051 4.998280   4  0  0    2   17.8049  4.998329   -0.0002 -0.000049
   22.0691 4.037960   2  3  1    2   22.0667  4.038390   -0.0024 -0.000430
   23.8118 3.745301   1  4  1    2   23.8176  3.744398    0.0058  0.000904
   25.2499 3.534519   4  4  0    2   25.2511  3.534352    0.0012  0.000166
   26.9958 3.309126   3  4  1    2   26.9982  3.308839    0.0024  0.000288
   28.2790 3.161420   6  2  0    2   28.2808  3.161221    0.0018  0.000199
   32.3327 2.772791   4  6  0    2   32.3353  2.772574    0.0026  0.000217
   34.9514 2.570359   7  0  1    2   34.9534  2.570214    0.0020  0.000145
   39.4758 2.285000   4  7  1    2   39.4628  2.285726   -0.0130 -0.000726
   54.4409 1.686127   6  1  3    2   54.4396  1.686164   -0.0013 -0.000037
   55.1553 1.665936   7  7  2    2   55.1578  1.665865    0.0025  0.000070
   61.5570 1.506929   9  7  2    2   61.5596  1.506872    0.0026  0.000057
   62.3228 1.490217   6 12  0    2   62.3230  1.490214    0.0002  0.000003
   74.7890 1.269455  11  9  2    2   74.7881  1.269469   -0.0009 -0.000013

 rmse = 0.00003902501
 
     A =    19.9933(6)         B =    19.9933(6)          C =     5.8930(4)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2355.6(1)