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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060137
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.050
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.5306 3.785656   1  0  0    2   23.5457  3.783255    0.0151  0.002401
   29.7117 3.009334   0  1  1    2   29.7218  3.008334    0.0101  0.001000
   41.3513 2.184161   1  1  0    2   41.3493  2.184263   -0.0020 -0.000102
   43.6463 2.074353   1  0  2    2   43.6450  2.074413   -0.0013 -0.000060
   45.3794 1.998989   1  1  1    2   45.3771  1.999084   -0.0023 -0.000095
   48.1217 1.891161   2  0  0    2   48.1091  1.891627   -0.0126 -0.000467
   51.7226 1.767514   0  2  1    2   51.7229  1.767503    0.0003  0.000011
   65.2327 1.430044   2  1  0    2   65.2382  1.429936    0.0055  0.000108

 rmse = 0.00008047140
 
     A =4.3685(3)              B =4.3685(3)               C =4.961(1)            
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 81.99(2)