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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040102
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.047
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.5952 6.530158   2  2  0    2   13.6003  6.527707    0.0051  0.002451
   15.0964 5.881985   1  1  1    2   15.0937  5.883023   -0.0027 -0.001039
   19.0953 4.655231   0  4  0    2   19.0943  4.655462   -0.0010 -0.000231
   19.4138 4.579386   4  0  0    2   19.4235  4.577107    0.0097  0.002279
   20.2768 4.385939   1  3  1    2   20.2726  4.386841   -0.0042 -0.000902
   20.4341 4.352453   3  1  1    2   20.4287  4.353596   -0.0054 -0.001144
   21.4423 4.149580   2  4  0    2   21.4418  4.149667   -0.0005 -0.000088
   21.6586 4.108535   4  2  0    2   21.6635  4.107623    0.0049  0.000913
   24.5367 3.631822   3  3  1    2   24.5392  3.631452    0.0025  0.000369
   27.9691 3.192682   1  5  1    2   27.9689  3.192707   -0.0002 -0.000025
   28.3115 3.154779   5  1  1    2   28.3139  3.154515    0.0024  0.000264
   30.4154 2.940841   2  2  2    2   30.4083  2.941512   -0.0071 -0.000670
   31.2585 2.863298   3  5  1    2   31.2579  2.863351   -0.0006 -0.000053
   36.7790 2.444652   1  7  1    2   36.7773  2.444758   -0.0017 -0.000106
   37.3145 2.410746   7  1  1    2   37.3173  2.410569    0.0028  0.000177
   41.1657 2.193410   2  6  2    2   41.1655  2.193420   -0.0002 -0.000011
   49.9826 1.824830   2 10  0    2   49.9832  1.824811    0.0006  0.000019
   52.0920 1.755721   4  8  2    2   52.0912  1.755745   -0.0008 -0.000024
   53.8059 1.703721  10  4  0    2   53.8025  1.703822   -0.0034 -0.000101
   54.5888 1.681101   5  5  3    2   54.5945  1.680937    0.0057  0.000164
   55.7984 1.647459   0  0  4    2   55.7966  1.647507   -0.0018 -0.000048

 rmse = 0.00002960316
 
     A =    18.3084(8)         B =    18.6218(7)          C =     6.5900(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2246.7(1)