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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R040068
 
 Symmetry constraint is: TRICLINIC   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.062
  
 Number of iterations =   0

         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.0424 5.908955  -1 -1  1    2   15.0394  5.910124   -0.0030 -0.001170
   15.9173 5.584815  -1  1  1    2   15.9160  5.585259   -0.0013 -0.000444
   22.1069 4.028767  -2  0  1    2   22.1195  4.026488    0.0126  0.002279
   23.1248 3.853205   1 -1  1    2   23.1250  3.853169    0.0002  0.000037
   23.6013 3.776274   1  1  1    2   23.6065  3.775459    0.0052  0.000815
   25.4476 3.505656  -1 -1  2    2   25.4459  3.505886   -0.0017 -0.000230
   26.4646 3.372884  -1  1  2    2   26.4644  3.372911   -0.0002 -0.000027
   31.2984 2.861080   1  3  1    2   31.3000  2.860937    0.0016  0.000144
   31.5515 2.838659  -1 -3  2    2   31.5431  2.839396   -0.0084 -0.000737
   34.0086 2.638603  -1  3  2    2   34.0120  2.638342    0.0034  0.000260
   35.0818 2.560160  -2 -4  1    2   35.0899  2.559584    0.0081  0.000577
   36.5995 2.457224   2  2  1    2   36.5975  2.457351   -0.0020 -0.000127
   37.0293 2.429636  -1 -5  1    2   37.0326  2.429425    0.0033  0.000210
   38.8933 2.317190  -3 -3  1    2   38.8952  2.317081    0.0019  0.000109
   39.5895 2.277966  -1  1  3    2   39.5926  2.277795    0.0031  0.000172
   43.6156 2.076266   2 -4  1    2   43.6151  2.076290   -0.0005 -0.000024
   44.5978 2.032729   2  4  1    2   44.5885  2.033131   -0.0093 -0.000402
   47.1974 1.926502   2 -2  2    2   47.1953  1.926584   -0.0021 -0.000082
   50.6517 1.802763   1  1  3    2   50.6487  1.802863   -0.0030 -0.000100
   51.1996 1.784727  -2  0  4    2   51.1962  1.784836   -0.0034 -0.000109
   54.4178 1.686416  -2  2  4    2   54.4164  1.686455   -0.0014 -0.000040
   66.0542 1.414441   1  1  4    2   66.0594  1.414342    0.0052  0.000099

 rmse = 0.00004723956
 
     A =     8.135(1)          B =    12.784(2)           C =     7.1594(4)      
 Alpha =    94.271(9)       Beta =   116.594(5)       Gamma =    87.717(9)       
 
 Volume =    663.98(9)