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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060143
 
 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
   10.8923 8.182117   0  0  2    2   10.9040  8.173287    0.0117  0.008829
   27.2197 3.283951   1  0  0    2   27.2102  3.285079   -0.0095 -0.001127
   27.7792 3.218856   1  0  1    2   27.7632  3.220686   -0.0160 -0.001830
   29.3605 3.048469   1  0  2    2   29.3642  3.048088    0.0037  0.000381
   31.8662 2.813578   1  0  3    2   31.8690  2.813335    0.0028  0.000244
   32.9315 2.724709   0  0  6    2   32.9350  2.724429    0.0035  0.000280
   38.9185 2.317271   1  0  5    2   38.9179  2.317308   -0.0006 -0.000037
   44.3819 2.043294   0  0  8    2   44.3813  2.043322   -0.0006 -0.000028
   52.7997 1.735095   1  0  8    2   52.8006  1.735068    0.0009  0.000027
   59.3988 1.556818   1  1  6    2   59.4083  1.556591    0.0095  0.000226
   69.4452 1.353818   1  0 11    2   69.4367  1.353962   -0.0085 -0.000144
   74.0603 1.280347   2  0  8    2   74.0705  1.280195    0.0102  0.000151
   79.1246 1.210521   2  1  3    2   79.1177  1.210610   -0.0069 -0.000089

 rmse = 0.00008426873
 
     A =3.7933(2)              B =3.7933(2)               C =16.347(1)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 203.70(2)