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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040013
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.067
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.3163 4.381813   0  2  0    2   20.3143  4.382243   -0.0020 -0.000431
   23.0374 3.868523   0  0  2    2   23.0307  3.869636   -0.0067 -0.001113
   24.3890 3.656519   2  1  0    2   24.3978  3.655214    0.0088  0.001305
   25.0051 3.567562   2  0  1    2   24.9977  3.568598   -0.0074 -0.001036
   25.9074 3.444999   1  2  1    2   25.9019  3.445715   -0.0055 -0.000716
   27.0133 3.306071   2  1  1    2   27.0211  3.305131    0.0078  0.000940
   27.5799 3.239259   1  1  2    2   27.5731  3.240043   -0.0068 -0.000784
   30.1909 2.964175   2  2  0    2   30.2028  2.963028    0.0119  0.001147
   30.8578 2.901477   0  2  2    2   30.8670  2.900630    0.0092  0.000847
   36.9636 2.434139   3  1  1    2   36.9696  2.433756    0.0060  0.000384
   41.2292 2.191205   0  4  0    2   41.2308  2.191122    0.0016  0.000083
   41.6270 2.171146   2  0  3    2   41.6218  2.171408   -0.0052 -0.000262
   58.3415 1.581999   5  1  0    2   58.3322  1.582229   -0.0093 -0.000230
   62.2685 1.491218   4  2  3    2   62.2649  1.491296   -0.0036 -0.000078
   77.1092 1.236797   5  3  3    2   77.1173  1.236687    0.0081  0.000110
   81.7057 1.178383   1  7  2    2   81.7035  1.178409   -0.0022 -0.000026

 rmse = 0.00006854226
 
     A =     8.0432(5)         B =     8.7644(5)          C =     7.739(1)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    545.58(6)