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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060751
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.018
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.5452 6.540163   0  2  0    2   13.5438  6.540824   -0.0014 -0.000661
   14.1561 6.258919   0  0  1    2   14.1589  6.257681    0.0028  0.001238
   15.8384 5.596964   0  1  1    2   15.8386  5.596908    0.0002  0.000056
   16.5501 5.357591  -1  1  0    2   16.5605  5.354239    0.0104  0.003352
   18.3841 4.826532   1  2  0    2   18.3810  4.827327   -0.0031 -0.000795
   20.3722 4.359376   0  3  0    2   20.3667  4.360549   -0.0055 -0.001173
   21.5137 4.130391   1  1  1    2   21.5158  4.129989    0.0021  0.000402
   23.3639 3.807075   1  3  0    2   23.3585  3.807936   -0.0054 -0.000862
   24.1276 3.688184   1  2  1    2   24.1308  3.687708    0.0032  0.000476
   24.6232 3.615009   0 -3  1    2   24.6201  3.615458   -0.0031 -0.000449
   24.8897 3.576875  -1  2  1    2   24.8963  3.575947    0.0066  0.000929
   25.1507 3.540319   0  3  1    2   25.1462  3.540943   -0.0045 -0.000624
   25.8239 3.449470   1 -2  1    2   25.8223  3.449683   -0.0016 -0.000213
   26.4357 3.370958  -1  3  0    2   26.4298  3.371692   -0.0059 -0.000734
   27.2520 3.271745   0  4  0    2   27.2633  3.270412    0.0113  0.001333
   28.5232 3.128666   0  0  2    2   28.5216  3.128840   -0.0016 -0.000175
   29.7786 2.999486  -1  3  1    2   29.7758  2.999764   -0.0028 -0.000278
   34.9079 2.569375   0 -3  2    2   34.9091  2.569286    0.0012  0.000089

 rmse = 0.00003574748
 
     A =6.290(2)               B =13.198(2)               C =6.2800(8)           
 Alpha =91.87(1)            Beta =94.67(2)            Gamma =82.48(2)            
 
 Volume = 515.0(0)