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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060483
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    9.7330 9.110534   0  2  0    2    9.7488  9.095755    0.0158  0.014780
   16.7403 5.301910   1  3  1    2   16.7533  5.297813    0.0130  0.004098
   28.6589 3.115784   3  3  3    2   28.6715  3.114444    0.0126  0.001340
   21.9421 4.053445   1  3  3    2   21.9520  4.051642    0.0099  0.001803
    9.9625 8.900474   0  0  2    2    9.9706  8.893253    0.0081  0.007221
   25.8880 3.443075   4  0  0    2   25.8884  3.443023    0.0004  0.000052
   22.2679 3.994782   0  2  4    2   22.2677  3.994812   -0.0002 -0.000030
   32.9068 2.722224   4  0  4    2   32.9054  2.722340   -0.0014 -0.000116
   32.2719 2.774370   2  6  0    2   32.2661  2.774855   -0.0058 -0.000484
   20.5906 4.316772   3  1  1    2   20.5847  4.317996   -0.0059 -0.001224
   19.0216 4.669772   2  2  2    2   19.0138  4.671666   -0.0078 -0.001894
   13.9568 6.354915   0  2  2    2   13.9481  6.358866   -0.0087 -0.003951
   19.9955 4.444095   0  0  4    2   19.9840  4.446626   -0.0115 -0.002532
   12.8904 6.879494   2  0  0    2   12.8781  6.886047   -0.0123 -0.006553

 rmse = 0.00004877571
 
     A =13.772(3)              B =18.192(4)               C =17.787(5)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 4450(1)