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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060562
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.014
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.1378 7.947217   1  1  0    2   11.1479  7.940020    0.0101  0.007196
   14.0030 6.325309   1  0  1    2   14.0106  6.321870    0.0076  0.003439
   17.9267 4.947674   0  2  1    2   17.9339  4.945698    0.0072  0.001976
   19.3495 4.586698   3  0  0    2   19.3603  4.584173    0.0108  0.002525
   21.1535 4.199184   2  1  1    2   21.1599  4.197934    0.0064  0.001250
   22.3786 3.971856   2  2  0    2   22.3891  3.970010    0.0105  0.001845
   25.8484 3.445735   0  1  2    2   25.8482  3.445757   -0.0002 -0.000022
   26.5100 3.361179   1  3  1    2   26.5030  3.362051   -0.0070 -0.000872
   28.8358 3.095019   4  0  1    2   28.8270  3.095945   -0.0088 -0.000926
   29.7591 3.001018   4  1  0    2   29.7588  3.001046   -0.0003 -0.000027
   30.4309 2.936250   1  2  2    2   30.4254  2.936773   -0.0055 -0.000523
   34.4510 2.602126   3  1  2    2   34.4490  2.602272   -0.0020 -0.000146
   34.9576 2.565553   0  5  1    2   34.9563  2.565647   -0.0013 -0.000094
   37.9050 2.372490   0  0  3    2   37.8989  2.372860   -0.0061 -0.000370
   38.5544 2.333995   5  1  1    2   38.5622  2.333541    0.0078  0.000454
   41.4668 2.176494   5  0  2    2   41.4689  2.176390    0.0021  0.000104
   43.0690 2.099138   4  2  2    2   43.0727  2.098967    0.0037  0.000171
   47.6310 1.908127   3  4  2    2   47.6230  1.908430   -0.0080 -0.000303
   49.4497 1.842102   6  2  1    2   49.4479  1.842166   -0.0018 -0.000064
   62.0751 1.494246   0  5  4    2   62.0791  1.494160    0.0040  0.000086

 rmse = 0.00004639631
 
     A =    15.8800(8)         B =    15.8800(8)          C =     7.1185(5)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =   1554.6(1)