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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R080101
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.007
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.0822 5.184353   1  1  0    2   17.0744  5.186694   -0.0078 -0.002341
   41.2790 2.184928   3  2  1    2   41.2722  2.185272   -0.0068 -0.000344
   63.6743 1.460089   1  2  3    2   63.6689  1.460199   -0.0054 -0.000110
   36.9885 2.427869   6  0  0    2   36.9834  2.428192   -0.0051 -0.000323
   49.8572 1.827290   6  2  0    2   49.8532  1.827426   -0.0040 -0.000136
   29.8756 2.987575   3  1  1    2   29.8736  2.987768   -0.0020 -0.000193
   57.1584 1.610033   2  1  3    2   57.1569  1.610071   -0.0015 -0.000038
   12.1343 7.283740   2  0  0    2   12.1329  7.284575   -0.0014 -0.000835
   26.4832 3.361970   2  1  1    2   26.4822  3.362095   -0.0010 -0.000125
   56.0133 1.640198   3  3  1    2   56.0132  1.640202   -0.0001 -0.000004
   35.1055 2.553637   1  0  2    2   35.1061  2.553592    0.0006  0.000045
   47.9616 1.894979   0  2  2    2   47.9625  1.894947    0.0009  0.000032
   46.8466 1.937443   5  0  2    2   46.8483  1.937375    0.0017  0.000068
   51.5032 1.772699   6  0  2    2   51.5054  1.772630    0.0022  0.000070
   34.1030 2.626360   4  1  1    2   34.1062  2.626119    0.0032  0.000242
   64.7348 1.438710   3  3  2    2   64.7405  1.438598    0.0057  0.000113
   38.9429 2.310426   5  1  1    2   38.9503  2.310005    0.0074  0.000420
   34.5376 2.594307   0  0  2    2   34.5453  2.593744    0.0077  0.000563

 rmse = 0.00004578291
 
     A =14.569(1)              B =5.5503(3)               C =5.1875(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 419.48(3)