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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060559
 
 Symmetry constraint is: MONOCLINIC3 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.076
  
 Number of iterations =   3

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.6784 5.034359   0 -2  1    2   17.6839  5.032788    0.0055  0.001571
   23.0383 3.869907   1  0  2    2   23.0419  3.869313    0.0036  0.000594
   25.6060 3.486207   1  1  2    2   25.6079  3.485952    0.0019  0.000255
   26.6592 3.350427   0  0  4    2   26.6594  3.350398    0.0002  0.000029
   27.7052 3.225913   1 -1  3    2   27.7047  3.225974   -0.0005 -0.000060
   29.1941 3.064259   0  2  3    2   29.1926  3.064414   -0.0015 -0.000155
   30.6716 2.919564   1 -2  3    2   30.6708  2.919634   -0.0008 -0.000071
   32.4034 2.767003   1 -3  1    2   32.4027  2.767064   -0.0007 -0.000061
   32.6105 2.749861   1 -1  4    2   32.6120  2.749737    0.0015  0.000124
   32.7636 2.737330   1  3  0    2   32.7641  2.737289    0.0005  0.000041
   33.4804 2.680212   0  0  5    2   33.4790  2.680318   -0.0014 -0.000107
   34.4875 2.604041   1  3  1    2   34.4856  2.604177   -0.0019 -0.000136
   35.3495 2.542353   1  1  4    2   35.3506  2.542279    0.0011  0.000074
   35.7659 2.513640   1 -3  3    2   35.7695  2.513397    0.0036  0.000243
   37.4037 2.407026   1  3  2    2   37.4019  2.407137   -0.0018 -0.000112
   38.1783 2.359854   1 -1  5    2   38.1773  2.359914   -0.0010 -0.000060
   39.0970 2.306383   2  1  0    2   39.0947  2.306515   -0.0023 -0.000132
   42.0190 2.152213   2  1  2    2   42.0158  2.152368   -0.0032 -0.000155
   48.4667 1.879434   1 -5  1    2   48.4668  1.879429    0.0001  0.000005
   50.6464 1.803418   1 -1  7    2   50.6550  1.803131    0.0086  0.000287
   50.9740 1.792577   1  5  1    2   50.9726  1.792622   -0.0014 -0.000045
   57.1313 1.612879   1  3  6    2   57.1347  1.612792    0.0034  0.000087
   62.3812 1.488990   0  0  9    2   62.3777  1.489066   -0.0035 -0.000075
   68.7212 1.366109   3 -1  5    2   68.7140  1.366235   -0.0072 -0.000127
   81.1739 1.184873   4  0  0    2   81.1780  1.184823    0.0041  0.000049

 rmse = 0.00003885808
 
     A =     4.7392(1)         B =    10.2445(6)          C =    13.6483(5)      
 Alpha =   100.911(6)       Beta =    90.             Gamma =    90.             
 
 Volume =    650.67(4)