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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050419
 
 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
   31.7563 2.818844   1  0  0    2   31.7564  2.818833    0.0001  0.000011
   34.4257 2.605880   0  0  2    2   34.4247  2.605953   -0.0010 -0.000073
   36.2381 2.479456   1  0  1    2   36.2385  2.479430    0.0004  0.000027
   47.5178 1.913391   1  0  2    2   47.5143  1.913525   -0.0035 -0.000134
   56.5363 1.627484   1  1  0    2   56.5375  1.627454    0.0012  0.000031
   62.8116 1.479028   1  0  3    2   62.8143  1.478970    0.0027  0.000058
   66.2938 1.409482   2  0  0    2   66.2973  1.409416    0.0035  0.000066
   67.8855 1.380237   1  1  2    2   67.8776  1.380380   -0.0079 -0.000142
   69.0064 1.360515   2  0  1    2   69.0046  1.360547   -0.0018 -0.000031
   72.5180 1.303002   0  0  4    2   72.5197  1.302976    0.0017  0.000026
   76.8604 1.239807   2  0  2    2   76.8671  1.239715    0.0067  0.000092
   89.5011 1.094496   2  0  3    2   89.4978  1.094528   -0.0033 -0.000032

 rmse = 0.00005460626
 
     A =3.25491(8)             B =3.25491(8)              C =5.2119(2)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 47.819(2)