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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070239
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.052
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   41.1753 2.193209   3  2  1    2   41.1785  2.193044    0.0032  0.000165
   42.2448 2.140056   3  3  0    2   42.2492  2.139842    0.0044  0.000214
   42.9214 2.107833   1  1  2    2   42.9192  2.107936   -0.0022 -0.000103
   44.6555 2.029826   4  2  0    2   44.6507  2.030033   -0.0048 -0.000206
   45.9690 1.974770   1  4  1    2   45.9715  1.974666    0.0025  0.000104
   51.3239 1.780386   1  5  0    2   51.3217  1.780456   -0.0022 -0.000071
   51.9007 1.761927   3  1  2    2   51.9000  1.761951   -0.0007 -0.000024
   77.3935 1.232762   1  4  3    2   77.3940  1.232756    0.0005  0.000007

 rmse = 0.00003483676
 
     A =9.0786(3)              B =9.0786(3)               C =4.4634(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 367.87(2)