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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060136
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.076
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.1261 3.855401   1  0  0    2   23.0984  3.859974   -0.0277 -0.004573
   27.6657 3.230468   0  1  1    2   27.6435  3.233018   -0.0222 -0.002550
   38.3620 2.348966   1  0  2    2   38.3729  2.348320    0.0109  0.000646
   43.4127 2.086182   1  1  1    2   43.4260  2.085573    0.0133  0.000609
   46.0343 1.973093   0  0  3    2   46.0465  1.972596    0.0122  0.000497
   49.7153 1.835051   2  0  1    2   49.7205  1.834871    0.0052  0.000180
   51.3605 1.779979   1  1  2    2   51.3558  1.780131   -0.0047 -0.000152
   57.0023 1.616234   0  2  2    2   56.9917  1.616509   -0.0106 -0.000276
   62.9360 1.477181   1  1  3    2   62.9408  1.477079    0.0048  0.000102
   65.9579 1.416553   1  2  1    2   65.9596  1.416521    0.0017  0.000033
   67.8614 1.381332   0  1  4    2   67.8547  1.381453   -0.0067 -0.000120

 rmse = 0.00011978353
 
     A =4.4571(4)              B =4.4571(4)               C =5.9178(6)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 101.81(2)