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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060754
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.004
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.0951 5.866044   0  2  1    2   15.0993  5.864412    0.0042  0.001631
   17.1435 5.169297   1  0  1    2   17.1415  5.169896   -0.0020 -0.000599
   21.7129 4.090446   1  3  1    2   21.7138  4.090270    0.0009  0.000176
   24.6181 3.613829   0  0  2    2   24.6166  3.614053   -0.0015 -0.000224
   27.8195 3.204739   1  1  2    2   27.8125  3.205531   -0.0070 -0.000792
   28.1395 3.169012   1  5  1    2   28.1313  3.169917   -0.0082 -0.000905
   28.5082 3.128853   2  2  1    2   28.5117  3.128480    0.0035  0.000373
   28.8708 3.090370   1  2  2    2   28.8799  3.089422    0.0091  0.000948
   30.5901 2.920457   1  3  2    2   30.5830  2.921119   -0.0071 -0.000662
   35.7651 2.508804   0  8  0    2   35.7777  2.507950    0.0126  0.000854
   37.5646 2.392639   0  1  3    2   37.5720  2.392182    0.0074  0.000457
   39.7388 2.266585   0  3  3    2   39.7357  2.266757   -0.0031 -0.000172
   46.9771 1.932798   0 10  1    2   46.9651  1.933264   -0.0120 -0.000465
   54.8649 1.672091   0 12  0    2   54.8693  1.671967    0.0044  0.000124

 rmse = 0.00006742977
 
     A =7.398(3)               B =20.064(1)               C =7.2281(9)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1072.8(4)