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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060737
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.042
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   18.1990 4.881803   0  0  2    2   18.2064  4.879839    0.0074  0.001964
   25.0548 3.557102   1  1  0    2   25.0587  3.556550    0.0039  0.000553
   31.1302 2.874412   1  1  2    2   31.1327  2.874186    0.0025  0.000226
   36.8502 2.439794   0  0  4    2   36.8482  2.439919   -0.0020 -0.000126
   39.8063 2.264964   2  1  1    2   39.8102  2.264753    0.0039  0.000211
   40.3285 2.236801   2  0  3    2   40.3314  2.236646    0.0029  0.000156
   44.1058 2.053417   3  0  0    2   44.1068  2.053375    0.0010  0.000043
   45.0649 2.011877   1  1  4    2   45.0627  2.011970   -0.0022 -0.000093
   48.0719 1.892704   3  0  2    2   48.0736  1.892642    0.0017  0.000062
   51.3798 1.778247   2  2  0    2   51.3789  1.778275   -0.0009 -0.000028
   54.9507 1.670745   2  2  2    2   54.9489  1.670794   -0.0018 -0.000049
   56.5692 1.626687   0  0  6    2   56.5720  1.626613    0.0028  0.000074
   58.7657 1.570969   3  0  4    2   58.7620  1.571060   -0.0037 -0.000091
   62.8092 1.479136   1  1  6    2   62.8041  1.479243   -0.0051 -0.000107
   64.8683 1.437039   2  2  4    2   64.8656  1.437093   -0.0027 -0.000054
   69.9620 1.344287   4  1  0    2   69.9643  1.344249    0.0023  0.000038
   72.9788 1.295944   4  1  2    2   72.9767  1.295977   -0.0021 -0.000033
   74.3777 1.274981   3  0  6    2   74.3744  1.275029   -0.0033 -0.000048
   79.8850 1.200307   2  2  6    2   79.8911  1.200231    0.0061  0.000076
   81.0906 1.185468   3  3  0    2   81.0866  1.185517   -0.0040 -0.000048
   81.7594 1.177449   4  1  4    2   81.7648  1.177385    0.0054  0.000064

 rmse = 0.00004379064
 
     A =     7.1130(1)         B =     7.1130(1)          C =     9.7596(3)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    427.64(1)