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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050103
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.029
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.5815 9.250620   1  1  0    2    9.5835  9.248725    0.0020  0.001895
   15.0238 5.903240   1  0  2    2   15.0230  5.903552   -0.0008 -0.000312
   16.4993 5.377579   1  1  2    2   16.4937  5.379389   -0.0056 -0.001810
   19.2011 4.625426   2  2  0    2   19.2056  4.624362    0.0045  0.001063
   23.4865 3.789227   2  2  2    2   23.4835  3.789712   -0.0030 -0.000485
   32.0318 2.794275   3  3  2    2   32.0327  2.794195    0.0009  0.000080
   35.0285 2.561586   1  5  0    2   35.0318  2.561350    0.0033  0.000235
   36.9561 2.432176   3  4  2    2   36.9653  2.431589    0.0092  0.000588
   39.9831 2.254612   3  3  4    2   39.9785  2.254860   -0.0046 -0.000248
   41.4890 2.176134   0  6  0    2   41.4825  2.176462   -0.0065 -0.000328
   43.2979 2.089257   2  0  6    2   43.2986  2.089224    0.0007  0.000033
   50.6795 1.800735   7  0  2    2   50.6776  1.800799   -0.0019 -0.000064
   52.7108 1.735985   7  2  2    2   52.7108  1.735985    0.0000  0.000000
   55.5676 1.653263   0  0  8    2   55.5675  1.653265   -0.0001 -0.000002
   57.0265 1.614363   5  5  4    2   57.0285  1.614311    0.0020  0.000051

 rmse = 0.00003643096
 
     A =    13.1006(6)         B =    13.0587(8)          C =    13.2261(6)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   2262.7(2)