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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R061001
 
 Symmetry constraint is: ORTHORHOMBIC
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.055
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.9402 4.249781   2  2  0    2   20.9609  4.245615    0.0207  0.004167
   21.2653 4.185372   0  2  2    2   21.2783  4.182830    0.0130  0.002542
   22.8153 3.903730   2  0  2    2   22.8284  3.901510    0.0131  0.002220
   26.6497 3.348957   2  2  2    2   26.6500  3.348916    0.0003  0.000041
   32.4583 2.760663   2  2  3    2   32.4660  2.760024    0.0077  0.000640
   36.7208 2.448920   2  0  4    2   36.7221  2.448839    0.0013  0.000081
   38.2468 2.354507   0  5  2    2   38.2450  2.354616   -0.0018 -0.000109
   38.7747 2.323612   4  2  2    2   38.7722  2.323757   -0.0025 -0.000145
   42.6056 2.122858   4  4  0    2   42.6067  2.122807    0.0011  0.000050
   52.3082 1.749218   0  2  6    2   52.2932  1.749683   -0.0150 -0.000466
   53.0277 1.727142   2  0  6    2   53.0241  1.727251   -0.0036 -0.000109
   54.8431 1.674127   4  4  4    2   54.8314  1.674458   -0.0117 -0.000331
   56.1760 1.637485   4  6  2    2   56.1758  1.637491   -0.0002 -0.000006
   59.5955 1.551345   6  4  2    2   59.6057  1.551103    0.0102  0.000242
   60.6580 1.526665   2  4  6    2   60.6588  1.526647    0.0008  0.000018
   62.0023 1.496723   6  2  4    2   61.9947  1.496889   -0.0076 -0.000166
   62.6397 1.483003   4  2  6    2   62.6392  1.483014   -0.0005 -0.000012
   72.9121 1.297160   2  2  8    2   72.9231  1.296992    0.0110  0.000168

 rmse = 0.00009286962
 
     A =11.179(1)              B =13.055(2)               C =10.8969(6)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1590.3(2)