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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060073
 
 Symmetry constraint is: MONOCLINIC2 
 
 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
   16.4898 5.396054   0  2  1    2   16.5005  5.392570    0.0107  0.003484
   12.3176 7.224149   0  2  0    2   12.3268  7.218765    0.0092  0.005385
   34.0876 2.633716  -4  1  3    2   34.0960  2.633087    0.0084  0.000629
   34.8669 2.576485  -3  4  2    2   34.8746  2.575936    0.0077  0.000550
   50.0220 1.824481   5  1  0    2   50.0258  1.824349    0.0038  0.000132
   29.8456 2.998635   3  1  0    2   29.8488  2.998325    0.0032  0.000311
   28.8360 3.101563   0  3  2    2   28.8383  3.101316    0.0023  0.000247
   44.7217 2.027985   0  0  4    2   44.7239  2.027891    0.0022  0.000093
   43.6994 2.073110  -5  1  4    2   43.6996  2.073100    0.0002  0.000010
   64.5640 1.443754   0 10  0    2   64.5640  1.443753    0.0000  0.000001
   21.9582 4.058370  -1  2  2    2   21.9580  4.058402   -0.0002 -0.000032
   64.8215 1.438632  -4  5  6    2   64.8204  1.438655   -0.0011 -0.000022
   44.9585 2.017833  -4  5  2    2   44.9559  2.017945   -0.0026 -0.000112
   37.6840 2.389709   2  1  2    2   37.6813  2.389874   -0.0027 -0.000165
   35.5009 2.531813   0  2  3    2   35.4973  2.532065   -0.0036 -0.000252
   21.5339 4.137650   0  3  1    2   21.5274  4.138895   -0.0065 -0.001245
   19.3728 4.595883   2  0  0    2   19.3650  4.597728   -0.0078 -0.001845
   32.3884 2.768229  -4  1  2    2   32.3805  2.768888   -0.0079 -0.000659
   34.4424 2.607333  -4  1  1    2   34.4341  2.607947   -0.0083 -0.000614

 rmse = 0.00004373931
 
     A =11.2865(7)             B =14.4375(6)              C =9.9561(5)           
 Alpha =90                  Beta =125.439(4)          Gamma =90                  
 
 Volume = 1321.77(9)