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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070623
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.052
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   10.0928 8.712392   1  0  0    2   10.0996  8.706555    0.0068  0.005837
   20.3284 4.353984   2  0  0    2   20.3317  4.353278    0.0033  0.000707
   21.6537 4.091038   1  1  2    2   21.6559  4.090627    0.0022  0.000411
   23.9653 3.702259   2  0  2    2   23.9647  3.702352   -0.0006 -0.000093
   25.2355 3.519096   0  0  4    2   25.2345  3.519239   -0.0010 -0.000143
   27.2673 3.261808   1  0  4    2   27.2590  3.262778   -0.0083 -0.000971
   27.7657 3.204488   2  1  1    2   27.7667  3.204376    0.0010  0.000112
   29.8949 2.981320   2  1  2    2   29.8978  2.981041    0.0029  0.000279
   30.9432 2.882834   1  1  4    2   30.9421  2.882931   -0.0011 -0.000097
   32.6328 2.737564   2  0  4    2   32.6422  2.736799    0.0094  0.000765
   33.1813 2.693624   2  1  3    2   33.1734  2.694244   -0.0079 -0.000620
   35.6395 2.513535   2  2  0    2   35.6420  2.513366    0.0025  0.000169
   40.1914 2.239104   3  0  4    2   40.1926  2.239039    0.0012  0.000065
   42.0029 2.146748   3  1  3    2   41.9951  2.147128   -0.0078 -0.000380
   44.1953 2.045332   2  2  4    2   44.1957  2.045313    0.0004  0.000018
   48.2433 1.882926   4  1  1    2   48.2452  1.882854    0.0019  0.000071
   53.3211 1.715139   2  2  6    2   53.3240  1.715053    0.0029  0.000086
   54.8099 1.672062   4  1  4    2   54.8176  1.671847    0.0077  0.000215
   61.1712 1.512687   3  3  4    2   61.1637  1.512854   -0.0075 -0.000167
   64.5566 1.441357   2  2  8    2   64.5511  1.441465   -0.0055 -0.000109
   67.0252 1.394182   5  2  0    2   67.0262  1.394165    0.0010  0.000018
   71.7989 1.312837   3  1  9    2   71.8027  1.312777    0.0038  0.000060

 rmse = 0.00004909506
 
     A =10.0535(3)             B =10.0535(3)              C =14.0770(7)          
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 1232.17(7)