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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060163
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.076
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
    8.014611.128102   0  0  2    2    8.0306 11.105790    0.0160  0.022312
   10.5679 8.424934   1  0  0    2   10.5556  8.434795   -0.0123 -0.009860
   20.0415 4.443522   0  0  5    2   20.0470  4.442316    0.0055  0.001206
   20.9240 4.257374  -2  2  0    2   20.9230  4.257586   -0.0010 -0.000212
   24.0951 3.701988   0  0  6    2   24.0955  3.701930    0.0004  0.000058
   26.7111 3.344026  -1  1  6    2   26.7111  3.344026    0.0000  0.000000
   28.1785 3.172658   0  0  7    2   28.1747  3.173083   -0.0038 -0.000425
   32.2898 2.776508   0  0  8    2   32.2905  2.776448    0.0007  0.000061
   36.6237 2.456592  -4  2  0    2   36.6241  2.456568    0.0004  0.000024
   40.3491 2.237522   1  2  6    2   40.3492  2.237518    0.0001  0.000004
   60.0144 1.542005  -2 -4  6    2   60.0144  1.542004    0.0000  0.000001

 rmse = 0.00002713554
 
     A =9.8343(8)              B =9.814(3)                C =22.487(2)           
 Alpha =96.35(2)            Beta =92.24(3)            Gamma =120.35(2)           
 
 Volume = 1850.0(3)