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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040157
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.088
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   25.3167 3.527123   0  1  2    2   25.3171  3.527062    0.0004  0.000062
   32.8943 2.727678   1  0  4    2   32.8844  2.728480   -0.0099 -0.000802
   39.0273 2.311021   1  1  0    2   39.0247  2.311167   -0.0026 -0.000146
   43.1987 2.096573   1  1  3    2   43.2156  2.095790    0.0169  0.000782
   47.0590 1.932868   2  0  2    2   47.0526  1.933117   -0.0064 -0.000250
   70.6061 1.334341   3  0  0    2   70.6054  1.334353   -0.0007 -0.000011

 rmse = 0.00010065379
 
     A =     4.6223(4)         B =     4.6223(4)          C =    14.915(9)       
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    275.9(2)