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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050454
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.037
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   14.1780 6.225599   2  0  0    2   14.1585  6.234086   -0.0195 -0.008488
   27.1115 3.281953   2  1  0    2   27.1208  3.280853    0.0093  0.001101
   36.3626 2.466253   3  0  1    2   36.3626  2.466253    0.0000  0.000000
   49.3760 1.842923   2  2  0    2   49.3746  1.842972   -0.0014 -0.000049
   80.9339 1.186412  10  1  0    2   80.9340  1.186412    0.0001  0.000001

 rmse = 0.00006731862
 
     A =12.4682(7)             B =3.8584(5)               C =3.064(1)            
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 147.40(5)