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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060010
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.021
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.0055 7.378416   1  1  0    2   12.0124  7.374184    0.0069  0.004232
   14.4558 6.130999   0  2  0    2   14.4648  6.127183    0.0090  0.003816
   17.3808 5.104017   1  2  0    2   17.3764  5.105297   -0.0044 -0.001279
   29.5822 3.019278   0  0  1    2   29.5754  3.019954   -0.0068 -0.000676
   32.0063 2.795770   1  1  1    2   32.0191  2.794678    0.0128  0.001092
   35.5017 2.527945   2  0  1    2   35.5119  2.527240    0.0102  0.000705
   38.5274 2.335984   2  2  1    2   38.5218  2.336308   -0.0056 -0.000324
   42.5785 2.122524   3  1  1    2   42.5695  2.122952   -0.0090 -0.000428
   44.5365 2.033604   3  2  1    2   44.5416  2.033385    0.0051  0.000220
   58.6392 1.573533   4  4  1    2   58.6396  1.573523    0.0004  0.000010
   62.0633 1.494656   1  7  1    2   62.0670  1.494576    0.0037  0.000080
   68.1660 1.374904   6  4  0    2   68.1545  1.375108   -0.0115 -0.000205
   75.1412 1.263594   4  0  2    2   75.1394  1.263620   -0.0018 -0.000026
   83.7501 1.154197   8  0  0    2   83.7566  1.154125    0.0065  0.000073

 rmse = 0.00008086639
 
     A =9.2330(4)              B =12.254(1)               C =3.0200(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 341.69(4)