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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040024
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.023
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   24.1825 3.680762   0  1  2    2   24.1829  3.680698    0.0004  0.000063
   33.2003 2.698028   1  0  4    2   33.1965  2.698332   -0.0038 -0.000303
   35.6701 2.516552   1  1  0    2   35.6713  2.516469    0.0012  0.000083
   40.9100 2.205322   1  1  3    2   40.9042  2.205620   -0.0058 -0.000298
   49.5017 1.840619   0  2  4    2   49.5094  1.840349    0.0077  0.000270
   54.1148 1.694029   1  1  6    2   54.1180  1.693938    0.0032  0.000092
   62.4998 1.485310   2  1  4    2   62.4914  1.485490   -0.0084 -0.000180
   64.0535 1.452965   3  0  0    2   64.0575  1.452884    0.0040  0.000081

 rmse = 0.00006826942
 
     A =     5.0329(3)         B =     5.0329(3)          C =    13.743(2)       
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    301.49(4)