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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R070682
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.010
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   12.9301 6.846157   0  0  1    2   12.9220  6.850451   -0.0081 -0.004294
   13.5674 6.525742   1  1  0    2   13.5607  6.528947   -0.0067 -0.003205
   14.3846 6.156544  -1  0  1    2   14.3900  6.154244    0.0054  0.002301
   15.3957 5.754163   0 -1  1    2   15.4019  5.751854    0.0062  0.002309
   19.2554 4.607995   0  2  0    2   19.2549  4.608104   -0.0005 -0.000108
   22.5058 3.949008   1  1  1    2   22.5083  3.948569    0.0025  0.000439
   26.9281 3.309439   0 -1  2    2   26.9270  3.309569   -0.0011 -0.000130
   29.5015 3.026256  -2  1  1    2   29.5011  3.026300   -0.0004 -0.000044
   29.9647 2.980507  -2 -3  1    2   29.9648  2.980501    0.0001  0.000005

 rmse = 0.00002883104
 
     A =7.954(2)               B =9.987(2)                C =7.644(4)            
 Alpha =103.84(3)           Beta =115.86(3)           Gamma =67.91(2)            
 
 Volume = 504.3(2)