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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060293
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.030
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.1482 6.743465   0  0  2    2   13.1471  6.744048   -0.0011 -0.000583
   16.7171 5.308381   1  1  1    2   16.7083  5.311166   -0.0088 -0.002784
   17.0025 5.219755   0  2  0    2   16.9970  5.221433   -0.0055 -0.001678
   18.2378 4.868308   0  2  1    2   18.2340  4.869313   -0.0038 -0.001005
   20.2501 4.388123   1  1  2    2   20.2516  4.387809    0.0015  0.000314
   21.5359 4.128579   0  2  2    2   21.5356  4.128641   -0.0003 -0.000062
   25.1000 3.549122   1  1  3    2   25.1056  3.548340    0.0056  0.000782
   25.6977 3.467815   2  0  0    2   25.6946  3.468222   -0.0031 -0.000407
   26.1605 3.407436   0  2  3    2   26.1638  3.407018    0.0033  0.000418
   26.4352 3.372607   0  0  4    2   26.4398  3.372024    0.0046  0.000583
   34.3439 2.611223   0  4  0    2   34.3508  2.610716    0.0069  0.000507
   37.5291 2.396416   0  2  5    2   37.5252  2.396657   -0.0039 -0.000241
   43.3831 2.085420   2  4  0    2   43.3745  2.085813   -0.0086 -0.000393
   45.5059 1.992886   2  4  2    2   45.5108  1.992684    0.0049  0.000202
   52.7724 1.734151   4  0  0    2   52.7737  1.734111    0.0013  0.000040
   60.5307 1.529010   2  4  6    2   60.5301  1.529023   -0.0006 -0.000014

 rmse = 0.00003937047
 
     A =     6.9364(4)         B =    10.4428(8)          C =    13.488(1)       
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    977.02(8)