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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060667
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.043
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.9044 4.466441   0  1  1    2   19.9206  4.462843    0.0162  0.003598
   25.8544 3.448765   1  1  1    2   25.8360  3.451181   -0.0184 -0.002417
   37.2998 2.411410   0  2  0    2   37.3115  2.410679    0.0117  0.000731
   39.4772 2.283133   1  1  4    2   39.4729  2.283375   -0.0043 -0.000241
   40.3141 2.237596   2  0  3    2   40.3117  2.237723   -0.0024 -0.000128
   45.9551 1.974940   1  1  5    2   45.9663  1.974485    0.0112  0.000455
   48.8094 1.865810   0  2  4    2   48.7961  1.866289   -0.0133 -0.000479
   56.0657 1.640121   2  2  3    2   56.0684  1.640048    0.0027  0.000072

 rmse = 0.00011849047
 
     A =5.443(2)               B =4.821(1)                C =11.794(3)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 309.5(1)