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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040154
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.044
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.3313 4.598125   0  2  1    2   19.3333  4.597660    0.0020  0.000465
   21.0751 4.220644  -2  0  1    2   21.0817  4.219326    0.0066  0.001318
   22.3622 3.980063   1  1  1    2   22.3618  3.980129   -0.0004 -0.000066
   23.2420 3.831069   1  3  0    2   23.2449  3.830600    0.0029  0.000469
   24.0395 3.705517  -1  3  0    2   24.0416  3.705199    0.0021  0.000318
   26.4911 3.367322   2  2  0    2   26.4841  3.368200   -0.0070 -0.000878
   27.1185 3.290698  -2  0  2    2   27.1193  3.290597    0.0008  0.000101
   29.5068 3.029158   1  3  1    2   29.5071  3.029124    0.0003  0.000034
   30.2537 2.955945   1 -3  1    2   30.2525  2.956060   -0.0012 -0.000115
   35.6188 2.521488  -2  4  1    2   35.6173  2.521590   -0.0015 -0.000103
   47.2076 1.925420   4  0  0    2   47.2075  1.925426   -0.0001 -0.000006
   50.5775 1.804639  -2  0  4    2   50.5771  1.804651   -0.0004 -0.000012
   61.2141 1.513865   2  8  0    2   61.2143  1.513861    0.0002  0.000004
   66.3882 1.407789   4  0  2    2   66.3886  1.407782    0.0004  0.000007

 rmse = 0.00002293752
 
     A =     8.5714(6)         B =    12.9645(5)          C =     7.2203(3)      
 Alpha =    90.74(1)        Beta =   115.944(4)       Gamma =    87.663(6)       
 
 Volume =    720.88(4)