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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 RS207-05
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.045
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.3630 7.179627   2  0  0    2   12.3708  7.175079    0.0078  0.004548
   16.6291 5.341087   1  1  0    2   16.6356  5.338993    0.0065  0.002094
   29.9713 2.983308   3  1  1    2   29.9746  2.982984    0.0033  0.000325
   31.1151 2.876040   0  2  0    2   31.1160  2.875955    0.0009  0.000085
   35.2189 2.549317   0  0  2    2   35.2116  2.549829   -0.0073 -0.000512
   35.8601 2.505132   0  2  1    2   35.8612  2.505058    0.0011  0.000074
   40.6634 2.219284   3  2  1    2   40.6658  2.219159    0.0024  0.000124
   43.1810 2.095408   3  1  2    2   43.1796  2.095473   -0.0014 -0.000066
   47.6598 1.908230   0  2  2    2   47.6677  1.907930    0.0079  0.000299
   51.3295 1.779968   3  3  0    2   51.3389  1.779664    0.0094  0.000304
   52.4597 1.744216   6  0  2    2   52.4534  1.744410   -0.0063 -0.000194
   52.9281 1.729865   6  2  1    2   52.9279  1.729871   -0.0002 -0.000006
   54.6254 1.680014   3  3  1    2   54.6158  1.680286   -0.0096 -0.000272
   59.9407 1.542998   3  1  3    2   59.9390  1.543038   -0.0017 -0.000040
   62.2324 1.491525   6  2  2    2   62.2339  1.491492    0.0015  0.000033
   63.1912 1.471166   9  1  1    2   63.1900  1.471192   -0.0012 -0.000025
   67.6823 1.383990   0  4  1    2   67.6813  1.384008   -0.0010 -0.000018
   76.2517 1.248265   6  2  3    2   76.2523  1.248257    0.0006  0.000009
   80.0824 1.197880   6  4  1    2   80.0808  1.197900   -0.0016 -0.000020
   85.0683 1.139908   9  1  3    2   85.0713  1.139875    0.0030  0.000033

 rmse = 0.00005320351
 
     A =14.3502(7)             B =5.7519(2)               C =5.0997(3)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 420.93(2)