******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060928
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.022
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   31.5566 2.834719   1  0  1    2   31.5507  2.835237   -0.0059 -0.000518
   34.9283 2.568239   0  0  2    2   34.9398  2.567421    0.0115  0.000818
   44.1859 2.048989   1  0  2    2   44.1851  2.049023   -0.0008 -0.000035
   46.2149 1.963600   1  1  0    2   46.2211  1.963351    0.0062  0.000249
   57.0252 1.614225   2  0  1    2   57.0292  1.614120    0.0040  0.000105
   59.2225 1.559445   1  1  2    2   59.2162  1.559595   -0.0063 -0.000150
   60.5246 1.528962   1  0  3    2   60.5283  1.528876    0.0037  0.000085
   65.8621 1.417343   2  0  2    2   65.8477  1.417619   -0.0144 -0.000275
   76.3296 1.246864   2  1  1    2   76.3309  1.246847    0.0013  0.000017
   84.1819 1.149387   2  1  2    2   84.1867  1.149333    0.0048  0.000054

 rmse = 0.00009318564
 
     A =3.9267(2)              B =3.9267(2)               C =5.1348(6)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 68.567(7)