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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050382
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.038
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.9307 4.459507   0  0  3    2   19.9601  4.452996    0.0294  0.006510
   38.7302 2.325198   0  1  2    2   38.7229  2.325620   -0.0073 -0.000422
   50.1788 1.817844   0  1  5    2   50.1747  1.817985   -0.0041 -0.000141
   78.3723 1.219597   2  0  2    2   78.3743  1.219571    0.0020  0.000026

 rmse = 0.00012072825
 
     A =     2.8646(3)         B =     2.8646(3)          C =    13.358(6)       
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =     94.93(4)