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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050548
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   27.7239 3.217535   2  0  4    2   27.7132  3.218759   -0.0107 -0.001224
   10.8288 8.179553   0  0  2    2   10.8190  8.186934   -0.0098 -0.007381
   21.7175 4.092799   0  0  4    2   21.7139  4.093467   -0.0036 -0.000668
   42.7168 2.116007   0  4  0    2   42.7145  2.116114   -0.0023 -0.000107
   27.1442 3.284974   2  2  0    2   27.1446  3.284925    0.0004  0.000049
   43.4915 2.080075   3  1  6    2   43.4923  2.080040    0.0008  0.000035
   17.3110 5.124706   1  1  2    2   17.3134  5.123987    0.0024  0.000720
   29.8652 2.991370   3  1  2    2   29.8680  2.991099    0.0028  0.000270
   14.5313 6.099613   1  1  1    2   14.5367  6.097342    0.0054  0.002270
   30.3644 2.943283   0  2  4    2   30.3742  2.942352    0.0098  0.000932

 rmse = 0.00004366807
 
     A =10.420(2)              B =8.4645(8)               C =16.374(3)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1444.1(3)