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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050209
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.039
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.4396 6.145642   0  0  2    2   14.4270  6.150993   -0.0126 -0.005350
   32.7446 2.735854   1  0  0    2   32.7424  2.736034   -0.0022 -0.000179
   35.9282 2.500128   1  0  2    2   35.9319  2.499878    0.0037  0.000250
   49.8411 1.829421   1  0  5    2   49.8395  1.829475   -0.0016 -0.000054
   56.0361 1.640821   1  0  6    2   56.0386  1.640752    0.0025  0.000068
   62.8284 1.478665   1  0  7    2   62.8283  1.478666   -0.0001 -0.000001
   88.7443 1.101862   1  1  8    2   88.7437  1.101868   -0.0006 -0.000006

 rmse = 0.00003097343
 
     A =     3.1592(2)         B =     3.1592(2)          C =    12.3019(7)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    106.337(10)