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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050311
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.039
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.9696 4.240733   2  2  0    2   20.9991  4.234841    0.0295  0.005892
   29.8507 2.994521   4  0  0    2   29.8511  2.994485    0.0004  0.000036
   33.4711 2.678051   4  2  0    2   33.4673  2.678348   -0.0038 -0.000298
   35.1660 2.552617   3  3  2    2   35.1505  2.553705   -0.0155 -0.001088
   36.7547 2.445728   4  2  2    2   36.7662  2.444986    0.0115  0.000742
   38.3133 2.349641   4  3  1    2   38.3230  2.349067    0.0097  0.000574
   41.2807 2.187174   5  2  1    2   41.2868  2.186862    0.0061  0.000312
   46.7593 1.942661   6  1  1    2   46.7487  1.943078   -0.0106 -0.000417
   52.9763 1.728223   4  4  4    2   52.9551  1.728866   -0.0212 -0.000643
   55.2871 1.661281   6  4  0    2   55.2958  1.661041    0.0087  0.000240
   70.2593 1.339272   8  4  0    2   70.2652  1.339174    0.0059  0.000098

 rmse = 0.00012501620
 
     A =11.9779(8)             B =11.9779(8)              C =11.9779(8)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1718.5(0)