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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050646
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.016
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.7082 9.117782   1  0  0    2    9.7183  9.108285    0.0101  0.009497
   19.4905 4.554325   2  0  0    2   19.4913  4.554142    0.0008  0.000183
   23.8780 3.725932   2  0  1    2   23.8826  3.725229    0.0046  0.000703
   25.8711 3.443053   2  1  0    2   25.8745  3.442608    0.0034  0.000445
   27.5368 3.238329   0  0  2    2   27.5397  3.237996    0.0029  0.000332
   38.2182 2.353889   3  1  1    2   38.2254  2.353463    0.0072  0.000426
   40.7220 2.214695   3  0  2    2   40.7203  2.214783   -0.0017 -0.000088
   42.0415 2.148160   4  0  1    2   42.0418  2.148147    0.0003  0.000012
   44.3622 2.040979   2  2  2    2   44.3586  2.041138   -0.0036 -0.000159
   46.5392 1.950418   2  0  3    2   46.5339  1.950628   -0.0053 -0.000210
   48.8712 1.862631   4  0  2    2   48.8717  1.862614    0.0005  0.000017
   55.1889 1.663358   4  2  1    2   55.1822  1.663543   -0.0067 -0.000185
   58.9188 1.566610   4  0  3    2   58.9195  1.566594    0.0007  0.000016
   69.8400 1.345895   4  2  3    2   69.8443  1.345822    0.0043  0.000072

 rmse = 0.00004231273
 
     A =    10.5173(5)         B =    10.5173(5)          C =     6.4759(4)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    620.36(4)