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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060196
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.026
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   25.0498 3.555584   2  2  0    2   25.0329  3.557944   -0.0169 -0.002360
   12.4630 7.111309   1  1  0    2   12.4550  7.115888   -0.0080 -0.004578
   41.4581 2.177569   2 -4  1    2   41.4559  2.177681   -0.0022 -0.000113
   32.4710 2.757250  -2 -2  4    2   32.4693  2.757393   -0.0017 -0.000143
   33.7951 2.652102   0  2  3    2   33.7951  2.652102    0.0000  0.000000
   30.5109 2.929922   1  1  3    2   30.5133  2.929699    0.0024  0.000223
   35.7541 2.511046  -3 -3  1    2   35.7568  2.510862    0.0027  0.000185
   34.5003 2.599448   0 -4  1    2   34.5042  2.599160    0.0039  0.000288
   23.3412 3.812139  -2 -2  1    2   23.3454  3.811466    0.0042  0.000673
   18.6645 4.756795   2  0  0    2   18.6784  4.753273    0.0139  0.003521

 rmse = 0.00006915721
 
     A =9.785(5)               B =10.530(3)               C =12.219(4)           
 Alpha =108.69(4)           Beta =103.15(5)           Gamma =82.27(2)            
 
 Volume = 1158.7(4)