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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060520
 
 Symmetry constraint is: RHOMBOHEDRAL
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.048
  
 Number of iterations =  61

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.6680 5.668298   1  0  0    2   15.6748  5.665838    0.0068  0.002460
   18.3213 4.850821   1  1  0    2   18.3252  4.849803    0.0039  0.001018
   25.5476 3.490199   0 -1  1    2   25.5470  3.490280   -0.0006 -0.000081
   30.0933 2.971705   1 -1  1    2   30.0936  2.971680    0.0003  0.000024
   30.4877 2.934094   2  1  0    2   30.4909  2.933790    0.0032  0.000305
   33.0941 2.708392   2  2  2    2   33.1009  2.707854    0.0068  0.000538
   37.0820 2.425393   2  2  0    2   37.0898  2.424901    0.0078  0.000492
   41.0456 2.199597   2 -1  1    2   41.0461  2.199573    0.0005  0.000025
   41.6986 2.166609   3  2  2    2   41.6946  2.166805   -0.0040 -0.000197
   48.1857 1.888693   2 -1  2    2   48.1879  1.888613    0.0022  0.000080
   50.5609 1.805313   3  3  3    2   50.5632  1.805236    0.0023  0.000077
   52.4327 1.745126   0 -2  2    2   52.4322  1.745140   -0.0005 -0.000014
   56.0057 1.641867   0 -1  3    2   55.9983  1.642065   -0.0074 -0.000198
   57.4794 1.603190   4  3  2    2   57.4689  1.603458   -0.0105 -0.000268
   63.3912 1.467052   4  2  0    2   63.3988  1.466895    0.0076  0.000157
   65.1766 1.431086   4  4  2    2   65.1768  1.431081    0.0002  0.000004
   68.6359 1.367098   3 -2  1    2   68.6349  1.367116   -0.0010 -0.000018
   69.9531 1.344526   4  4  1    2   69.9491  1.344594   -0.0040 -0.000068
   71.5062 1.319071   2 -3  1    2   71.4980  1.319202   -0.0082 -0.000131
   73.9233 1.281774   0 -1  4    2   73.9267  1.281724    0.0034  0.000050
   80.6709 1.190643   5  2  0    2   80.6789  1.190545    0.0080  0.000098

 rmse = 0.00006443560
 
     A =     6.7507(2)         B =     6.7507(2)          C =     6.7507(2)      
 Alpha =    62.265(1)       Beta =    62.265(1)       Gamma =    62.265(1)       
 
 Volume =    228.54(1)