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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060648
 
 Symmetry constraint is: TETRAGONAL  
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.016
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   21.9930 4.041100   1  0  1    2   21.9993  4.039955    0.0063  0.001145
   47.0334 1.931070   1  1  3    2   47.0350  1.931009    0.0016  0.000061
   60.3364 1.533144   3  1  1    2   60.3370  1.533131    0.0006  0.000013
   42.6894 2.117042   2  1  1    2   42.6897  2.117026    0.0003  0.000016
   28.4619 3.135105   1  1  1    2   28.4608  3.135219   -0.0011 -0.000114
   48.6301 1.871312   2  1  2    2   48.6280  1.871389   -0.0021 -0.000077
   31.4552 2.843105   1  0  2    2   31.4520  2.843383   -0.0032 -0.000279

 rmse = 0.00002349916
 
     A =4.9713(1)              B =4.9713(1)               C =6.9327(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 171.33(1)