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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050225
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.023
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.1864 6.697150   0  1  0    2   13.1750  6.702910   -0.0114 -0.005760
   14.3419 6.160920   0  1  1    2   14.3364  6.163260   -0.0055 -0.002340
   14.7592 5.987920   1  0  1    2   14.7457  5.993381   -0.0135 -0.005461
   18.5183 4.781506  -1  0  1    2   18.5344  4.777385    0.0161  0.004121
   24.1477 3.679109   1 -1  1    2   24.1517  3.678508    0.0040  0.000601
   25.9810 3.423734   2  1  0    2   25.9735  3.424703   -0.0075 -0.000969
   28.9009 3.084398   2  2  2    2   28.9079  3.083664    0.0070  0.000734
   30.7521 2.902949   1  2  3    2   30.7523  2.902931    0.0002  0.000018
   35.6374 2.515657  -1  0  3    2   35.6371  2.515676   -0.0003 -0.000020
   43.8270 2.062938   2  3  4    2   43.8257  2.062998   -0.0013 -0.000060

 rmse = 0.00006276639
 
     A =     7.401(4)          B =     7.639(8)           C =     9.948(6)       
 Alpha =    68.94(5)        Beta =    69.46(5)        Gamma =    64.93(5)        
 
 Volume =    462.1(3)