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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061055
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.005
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.6865 5.309970   1  1  1    2   16.7012  5.305317    0.0147  0.004653
   16.9638 5.223766   0  2  0    2   16.9684  5.222374    0.0046  0.001392
   18.2106 4.868739   0  2  1    2   18.2063  4.869873   -0.0043 -0.001134
   20.2641 4.379641   1  1  2    2   20.2434  4.384065   -0.0207 -0.004424
   25.0943 3.546356   1  1  3    2   25.0971  3.545967    0.0028  0.000389
   25.7063 3.463282   2  0  0    2   25.7180  3.461733    0.0117  0.001549
   26.1485 3.405698   0  2  3    2   26.1410  3.406653   -0.0075 -0.000956
   28.9654 3.080525   2  0  2    2   28.9752  3.079503    0.0098  0.001023
   30.6969 2.910569   1  1  4    2   30.6952  2.910728   -0.0017 -0.000160
   37.5069 2.396209   0  2  5    2   37.5080  2.396143    0.0011  0.000065
   43.3751 2.084616   2  4  0    2   43.3746  2.084638   -0.0005 -0.000022
   45.5132 1.991523   2  4  2    2   45.5112  1.991604   -0.0020 -0.000081
   48.5667 1.873194   3  1  4    2   48.5606  1.873415   -0.0061 -0.000221
   60.5314 1.528409   2  4  6    2   60.5347  1.528334    0.0033  0.000075

 rmse = 0.00005704549
 
     A =6.9235(9)              B =10.445(1)               C =13.484(2)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 975.1(1)