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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050299
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.068
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   19.5788 4.545897  -1  1  1    2   19.5854  4.544366    0.0066  0.001531
   24.1399 3.693892   1  2  1    2   24.1530  3.691914    0.0131  0.001978
   25.7367 3.467610   2  0  0    2   25.7423  3.466865    0.0056  0.000745
   27.1753 3.286762  -1  2  1    2   27.1840  3.285732    0.0087  0.001029
   28.2842 3.160062   0  2  2    2   28.2892  3.159513    0.0050  0.000549
   28.9483 3.088890   2  0  1    2   28.9478  3.088943   -0.0005 -0.000053
   29.6407 3.018126  -2  1  0    2   29.6278  3.019412   -0.0129 -0.001285
   30.1331 2.969808  -2  1  1    2   30.1360  2.969532    0.0029  0.000276
   30.9282 2.895081  -1 -3  1    2   30.9278  2.895122   -0.0004 -0.000041
   31.1987 2.870539  -1  0  3    2   31.1954  2.870838   -0.0033 -0.000298
   31.5590 2.838514   0  3  1    2   31.5597  2.838452    0.0007  0.000062
   32.4770 2.760177   2 -1  1    2   32.4815  2.759809    0.0045  0.000369
   33.6673 2.665067  -1  1  3    2   33.6636  2.665354   -0.0037 -0.000287
   36.8428 2.441901   1 -1  3    2   36.8316  2.442622   -0.0112 -0.000721
   37.4532 2.403422   2  2  2    2   37.4466  2.403829   -0.0066 -0.000407
   38.0426 2.367463   3  1  0    2   38.0445  2.367346    0.0019  0.000117
   41.1908 2.193197   1  4  1    2   41.1891  2.193283   -0.0017 -0.000086
   41.7428 2.165415   3  0  1    2   41.7441  2.165351    0.0013  0.000064
   47.2303 1.925461  -2  3  2    2   47.2288  1.925519   -0.0015 -0.000058
   56.6893 1.624193   1 -1  5    2   56.6936  1.624079    0.0043  0.000114

 rmse = 0.00005488335
 
     A =7.1792(9)              B =9.215(1)                C =8.9772(9)           
 Alpha =91.79(2)            Beta =98.12(1)            Gamma =77.19(1)            
 
 Volume = 573.32(9)