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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060356
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.203
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   16.5349 5.423060   1  1  0    2   16.5414  5.420918    0.0065  0.002142
   27.3091 3.286981   2  1  1    2   27.3085  3.287058   -0.0006 -0.000077
   28.1051 3.194990   2  0  2    2   28.1065  3.194833    0.0014  0.000157
   28.6944 3.130231   3  0  0    2   28.6987  3.129769    0.0043  0.000463
   32.7065 2.752421   1  2  2    2   32.7069  2.752391    0.0004  0.000030
   35.2000 2.561811   1  1  3    2   35.2008  2.561753    0.0008  0.000058
   36.1698 2.494927   1  3  1    2   36.1651  2.495243   -0.0047 -0.000316
   40.5176 2.235315   3  1  2    2   40.5098  2.235729   -0.0078 -0.000414
   47.2110 1.931445   2  3  2    2   47.2163  1.931238    0.0053  0.000207

 rmse = 0.00004184895
 
     A =    10.8418(8)         B =    10.8418(8)          C =     8.720(1)       
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    887.7(1)