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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R050664
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.003
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   15.8916 5.573223   0  0  2    2   15.8992  5.570568    0.0076  0.002655
   17.2753 5.129740   2 -1  1    2   17.2814  5.127949    0.0061  0.001790
   22.1590 4.008835   1  1  2    2   22.1542  4.009699   -0.0048 -0.000865
   23.9452 3.713648   0  0  3    2   23.9448  3.713712   -0.0004 -0.000065
   27.9000 3.195519   3  0  1    2   27.9063  3.194813    0.0063  0.000706
   30.9440 2.887728   2  2  0    2   30.9401  2.888080   -0.0039 -0.000352
   34.9659 2.564204   2  2  2    2   34.9691  2.563975    0.0032  0.000230
   45.2033 2.004383   2  2  4    2   45.1922  2.004850   -0.0111 -0.000467
   51.7750 1.764342   4 -2  5    2   51.7798  1.764188    0.0048  0.000154
   55.0291 1.667451   6  0  0    2   55.0297  1.667434    0.0006  0.000017
   59.1009 1.561905   2  2  6    2   59.1015  1.561890    0.0006  0.000015

 rmse = 0.00005004361
 
     A =    11.5523(7)         B =    11.5523(7)          C =    11.1411(8)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =   1287.6(1)