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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040106
 
 Symmetry constraint is: MONOCLINIC2 
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:    0.021
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.0126 5.201179  -1  0  1    2   17.0069  5.202920   -0.0057 -0.001741
   18.4952 4.787920   1  1  0    2   18.5150  4.782861    0.0198  0.005059
   18.9788 4.667129   0  1  1    2   18.9428  4.675910   -0.0360 -0.008781
   21.2686 4.170041  -1  1  1    2   21.2566  4.172374   -0.0120 -0.002334
   21.6980 4.088556   1  0  1    2   21.7224  4.084015    0.0244  0.004541
   25.4567 3.493248   0  2  0    2   25.4660  3.492002    0.0093  0.001247
   27.1283 3.281840   2  0  0    2   27.1289  3.281768    0.0006  0.000072
   28.9236 3.082234   1  2  0    2   28.9178  3.082844   -0.0058 -0.000610
   31.1646 2.865663  -1  1  2    2   31.1473  2.867212   -0.0173 -0.001549
   34.4172 2.602085  -2  0  2    2   34.4257  2.601460    0.0085  0.000625
   41.2818 2.184083   0  3  1    2   41.2939  2.183473    0.0121  0.000610
   46.2679 1.959760   2  1  2    2   46.2632  1.959949   -0.0047 -0.000189
   50.6902 1.798742   0  2  3    2   50.6946  1.798595    0.0044  0.000147
   54.3089 1.687171   1  4  0    2   54.3037  1.687320   -0.0052 -0.000150

 rmse = 0.00010529395
 
     A =     6.757(2)        B =     6.9840(9)        C =     6.481(1)     
 Alpha =    90.             Beta =   103.75(2)      Gamma =    90.             
 
 Volume =    297.1(1)