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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070376
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.049
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.0648 3.860928   1  0  0    2   23.0678  3.860434    0.0030  0.000494
   27.6073 3.233979   0  1  1    2   27.6064  3.234083   -0.0009 -0.000104
   38.3173 2.349961   1  0  2    2   38.3227  2.349643    0.0054  0.000318
   40.4956 2.228285   1  1  0    2   40.4854  2.228823   -0.0102 -0.000538
   43.3897 2.085960   1  1  1    2   43.3887  2.086004   -0.0010 -0.000045
   45.9781 1.974244   0  0  3    2   45.9787  1.974222    0.0006  0.000023
   49.6796 1.835323   2  0  1    2   49.6827  1.835214    0.0031  0.000109
   51.3076 1.780790   1  1  2    2   51.3074  1.780797   -0.0002 -0.000008
   56.9437 1.617034   0  2  2    2   56.9434  1.617042   -0.0003 -0.000008
   62.8720 1.477944   1  1  3    2   62.8770  1.477839    0.0050  0.000105
   67.7742 1.382398   0  1  4    2   67.7704  1.382467   -0.0038 -0.000068

 rmse = 0.00004770865
 
     A =4.4576(2)              B =4.4576(2)               C =5.9227(3)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 101.920(9)