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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050150
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.017
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   13.6832 6.474182   0  2  0    2   13.6873  6.472262    0.0041  0.001921
   19.3329 4.591410   0  2  1    2   19.3235  4.593630   -0.0094 -0.002219
   21.0602 4.218269  -2  0  1    2   21.0635  4.217618    0.0033  0.000651
   22.3523 3.977076   1  1  1    2   22.3468  3.978038   -0.0055 -0.000962
   23.2328 3.828192   1  3  0    2   23.2315  3.828396   -0.0013 -0.000204
   24.0283 3.703133  -1  3  0    2   24.0312  3.702687    0.0029  0.000446
   26.4692 3.366700   2  2  0    2   26.4685  3.366781   -0.0007 -0.000081
   27.1043 3.289187  -2  0  2    2   27.1034  3.289292   -0.0009 -0.000105
   29.4954 3.027603   1  3  1    2   29.5020  3.026937    0.0066  0.000666
   30.2360 2.955069   1 -3  1    2   30.2370  2.954974    0.0010  0.000094
   41.8550 2.157363   0  6  0    2   41.8538  2.157421   -0.0012 -0.000058
   47.2012 1.924632   4  0  0    2   47.2008  1.924648   -0.0004 -0.000016
   50.5712 1.803953  -2  0  4    2   50.5714  1.803948    0.0002  0.000005

 rmse = 0.00003039720
 
     A =     8.5680(9)         B =    12.9556(8)          C =     7.2176(3)      
 Alpha =    90.79(2)        Beta =   115.94(1)        Gamma =    87.63(2)        
 
 Volume =    719.81(7)