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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040183
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.057
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.0966 4.657416   1  1  1    2   19.0928  4.658329   -0.0038 -0.000913
   23.2203 3.836752   2  2  0    2   23.2152  3.837589   -0.0051 -0.000836
   28.1027 3.178927   1  3  1    2   28.0977  3.179477   -0.0050 -0.000550
   29.0602 3.076120   0  4  0    2   29.0597  3.076177   -0.0005 -0.000057
   32.1898 2.783302   3  1  1    2   32.1851  2.783702   -0.0047 -0.000401
   33.9140 2.645398   0  2  2    2   33.9083  2.645831   -0.0057 -0.000433
   38.6820 2.329104   2  2  2    2   38.6810  2.329164   -0.0010 -0.000061
   40.8362 2.210900   1  5  1    2   40.8381  2.210803    0.0019  0.000097
   48.8504 1.864854   3  5  1    2   48.8518  1.864804    0.0014  0.000050
   49.5126 1.841423   5  1  1    2   49.5188  1.841208    0.0062  0.000215
   54.6281 1.680277   0  6  2    2   54.6289  1.680255    0.0008  0.000022
   55.2738 1.662146   3  1  3    2   55.2694  1.662268   -0.0044 -0.000122
   57.3975 1.605529   4  4  2    2   57.4055  1.605325    0.0080  0.000204
   59.5326 1.552888   3  3  3    2   59.5373  1.552776    0.0047  0.000112
   61.9779 1.497302   3  7  1    2   61.9802  1.497251    0.0023  0.000051
   65.2980 1.428902   6  0  2    2   65.2983  1.428897    0.0003  0.000005
   67.5759 1.386128   3  5  3    2   67.5726  1.386188   -0.0033 -0.000060
   71.2760 1.322922   0  4  4    2   71.2764  1.322916    0.0004  0.000006
   74.1124 1.279110   6  6  0    2   74.1066  1.279196   -0.0058 -0.000086

 rmse = 0.00004828647
 
     A =     9.8196(4)         B =    12.3047(6)          C =     5.8613(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =    708.21(3)