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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060168
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.040
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   11.5458 7.684207   1  0  1    2   11.5560  7.677410    0.0102  0.006798
   12.9031 6.876294   1  1  0    2   12.9148  6.870055    0.0117  0.006239
   14.9099 5.952522   2  0  0    2   14.9171  5.949642    0.0072  0.002880
   17.3416 5.121019   2  0  1    2   17.3465  5.119586    0.0049  0.001433
   17.6726 5.025628   0  0  2    2   17.6770  5.024389    0.0044  0.001239
   19.1972 4.628979   1  0  2    2   19.1984  4.628682    0.0012  0.000297
   19.7589 4.498372   2  1  0    2   19.7627  4.497507    0.0038  0.000866
   21.6679 4.105448   2  1  1    2   21.6698  4.105101    0.0019  0.000347
   23.1950 3.838033   2  0  2    2   23.1909  3.838705   -0.0041 -0.000672
   25.9518 3.435616   2  2  0    2   25.9563  3.435027    0.0045  0.000589
   27.0359 3.300061   3  1  0    2   27.0342  3.300268   -0.0017 -0.000206
   27.6842 3.224126   1  0  3    2   27.6828  3.224282   -0.0014 -0.000157
   30.0509 2.975040   4  0  0    2   30.0532  2.974821    0.0023  0.000219
   30.6445 2.918677   2  0  3    2   30.6431  2.918811   -0.0014 -0.000134
   31.3728 2.852476   4  0  1    2   31.3731  2.852453    0.0003  0.000023
   33.3660 2.686288   2  1  3    2   33.3645  2.686407   -0.0015 -0.000119
   34.5525 2.596605   4  1  0    2   34.5521  2.596637   -0.0004 -0.000032
   43.4204 2.084143   3  3  2    2   43.4282  2.083785    0.0078  0.000358
   46.8247 1.940114   5  0  3    2   46.8265  1.940045    0.0018  0.000069
   49.6983 1.834364   2  1  5    2   49.6831  1.834889   -0.0152 -0.000525
   50.5500 1.805412   4  1  4    2   50.5472  1.805504   -0.0028 -0.000092
   51.1482 1.785677   6  1  1    2   51.1462  1.785741   -0.0020 -0.000065
   52.9820 1.728063   5  0  4    2   52.9939  1.727704    0.0119  0.000360
   53.3269 1.717689   4  4  0    2   53.3328  1.717514    0.0059  0.000175
   57.7870 1.595179   6  1  3    2   57.7730  1.595532   -0.0140 -0.000353
   66.4094 1.407310   4  1  6    2   66.4026  1.407438   -0.0068 -0.000128
   67.5223 1.386782   5  4  3    2   67.5197  1.386829   -0.0026 -0.000047
   71.3053 1.322168   9  0  0    2   71.3069  1.322143    0.0016  0.000026
   73.1665 1.293041   4  0  7    2   73.1773  1.292876    0.0108  0.000165

 rmse = 0.00006979364
 
     A =13.7401(5)             B =13.7401(5)              C =10.0488(5)          
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 1643.0(0)