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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060097
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.9536 5.932215   1  0  1    2   14.9578  5.930571    0.0042  0.001643
   24.2804 3.667467   1  1  0    2   24.2766  3.668030   -0.0038 -0.000564
   28.6300 3.118782   0  2  1    2   28.6226  3.119569   -0.0074 -0.000788
   29.2554 3.053444   1  1  3    2   29.2529  3.053696   -0.0025 -0.000251
   30.1435 2.965378   2  0  2    2   30.1445  2.965286    0.0010  0.000093
   32.4964 2.755629   0  0  6    2   32.4914  2.756042   -0.0050 -0.000413
   35.6468 2.518760   0  2  4    2   35.6452  2.518868   -0.0016 -0.000108
   37.8535 2.376719   2  1  1    2   37.8594  2.376365    0.0059  0.000354
   39.0586 2.306058   1  2  2    2   39.0595  2.306005    0.0009  0.000054
   40.7509 2.214037   1  0  7    2   40.7476  2.214209   -0.0033 -0.000172
   45.8968 1.976883   0  3  3    2   45.8974  1.976857    0.0006  0.000026
   49.7025 1.833959   2  2  0    2   49.7009  1.834015   -0.0016 -0.000056
   52.8226 1.732678   2  0  8    2   52.8274  1.732532    0.0048  0.000146
   54.4744 1.683945   2  1  7    2   54.4717  1.684022   -0.0027 -0.000076
   55.9510 1.642927   1  1  9    2   55.9562  1.642786    0.0052  0.000141
   60.6264 1.526867   2  2  6    2   60.6272  1.526848    0.0008  0.000019
   62.6259 1.482812   4  0  4    2   62.6339  1.482643    0.0080  0.000170
   63.3916 1.466724   0  2 10    2   63.3886  1.466786   -0.0030 -0.000061
   69.9424 1.344447   4  1  3    2   69.9387  1.344510   -0.0037 -0.000063
   76.8101 1.240393   3  2  7    2   76.8077  1.240426   -0.0024 -0.000033

 rmse = 0.00004367177
 
     A =     7.3360(2)         B =     7.3360(2)          C =    16.5362(6)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    770.71(4)