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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050653
 
 Symmetry constraint is: RHOMBOHEDRAL
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.038
  
 Number of iterations =  21

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   67.6092 1.385185   2  2  0    2   67.5907  1.385519   -0.0185 -0.000334
   48.4151 1.879930   0 -1  1    2   48.3986  1.880533   -0.0165 -0.000603
   32.3147 2.771232   1  1  0    2   32.3170  2.771038    0.0023  0.000195
   79.9858 1.198998   2 -1  1    2   79.9977  1.198850    0.0119  0.000148
   44.1782 2.050042   2  1  1    2   44.1985  2.049147    0.0203  0.000895
   25.3344 3.517866   1  1  1    2   25.3558  3.514934    0.0214  0.002932

 rmse = 0.00021640192
 
     A =     4.131(1)          B =     4.131(1)           C =     4.131(1)       
 Alpha =    54.15(2)        Beta =    54.15(2)        Gamma =    54.15(2)        
 
 Volume =     43.05(2)