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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050477
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.009
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.2893 5.127512   1  2  0    2   17.2822  5.129607   -0.0071 -0.002095
   34.9691 2.564434   2  4  0    2   34.9639  2.564804   -0.0052 -0.000369
   38.5778 2.332386   4  0  0    2   38.5785  2.332346    0.0007  0.000041
   41.5164 2.173795   2  5  0    2   41.5218  2.173526    0.0054  0.000269
   41.6491 2.167174   0  4  1    2   41.6492  2.167169    0.0001  0.000005
   42.0458 2.147635   3  1  1    2   42.0541  2.147228    0.0083  0.000406
   44.0411 2.054831   3  2  1    2   44.0354  2.055082   -0.0057 -0.000251
   47.1901 1.924764   3  3  1    2   47.1897  1.924780   -0.0004 -0.000016
   58.0601 1.587564   4  4  1    2   58.0584  1.587605   -0.0017 -0.000042
   67.4698 1.387186   6  4  0    2   67.4699  1.387184    0.0001  0.000002

 rmse = 0.00004810713
 
     A =9.3294(5)              B =12.282(1)               C =3.0591(4)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 350.54(4)