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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060604
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.062
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.9148 4.256411   1  0  0    2   20.9165  4.256076    0.0017  0.000335
   26.6970 3.344042   0  1  1    2   26.6964  3.344118   -0.0006 -0.000076
   36.6020 2.457094   1  1  0    2   36.5997  2.457246   -0.0023 -0.000152
   39.5216 2.281758   1  0  2    2   39.5211  2.281787   -0.0005 -0.000030
   40.3458 2.236953   1  1  1    2   40.3447  2.237012   -0.0011 -0.000059
   42.5037 2.128076   2  0  0    2   42.5045  2.128038    0.0008  0.000038
   45.8478 1.980120   2  0  1    2   45.8470  1.980153   -0.0008 -0.000033
   50.1933 1.818184   1  1  2    2   50.1913  1.818253   -0.0020 -0.000068
   54.9231 1.672086   0  2  2    2   54.9241  1.672059    0.0010  0.000027
   55.3764 1.659451   0  1  3    2   55.3767  1.659443    0.0003  0.000008
   60.0047 1.541905   1  2  1    2   60.0077  1.541836    0.0030  0.000069
   64.0788 1.453247   1  1  3    2   64.0826  1.453170    0.0038  0.000078
   67.7909 1.382345   1  2  2    2   67.7893  1.382374   -0.0016 -0.000029
   73.5124 1.288148   1  0  4    2   73.5118  1.288157   -0.0006 -0.000009
   75.7047 1.256168   3  0  2    2   75.7031  1.256190   -0.0016 -0.000022
   79.9237 1.200075   2  1  3    2   79.9248  1.200062    0.0011  0.000014
   81.2140 1.184221   1  1  4    2   81.2128  1.184235   -0.0012 -0.000014

 rmse = 0.00002163704
 
     A =     4.91449(6)        B =     4.91449(6)         C =     5.40619(7)     
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    113.078(2)