******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R061076
 
 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
    7.515811.786964   1  1  0    2    7.5226 11.776361    0.0068  0.010603
   12.2524 7.230719   1  0  1    2   12.2402  7.237902   -0.0122 -0.007183
   13.0216 6.804552   3  0  0    2   13.0321  6.799085    0.0105  0.005466
   14.3692 6.168308   0  2  1    2   14.3738  6.166343    0.0046  0.001965
   19.9551 4.450580   4  1  0    2   19.9530  4.451046   -0.0021 -0.000466
   22.1950 4.005791   3  2  1    2   22.2010  4.004717    0.0060  0.001075
   25.7636 3.457983   1  2  2    2   25.7537  3.459293   -0.0099 -0.001309
   27.3074 3.265736   5  2  0    2   27.3037  3.266175   -0.0037 -0.000439
   29.9462 2.983491   2  3  2    2   29.9549  2.982644    0.0087  0.000847
   32.8373 2.726942   7  0  1    2   32.8352  2.727116   -0.0021 -0.000174
   45.3104 2.000686   3  8  1    2   45.3107  2.000675    0.0003  0.000011

 rmse = 0.00003849993
 
     A =23.553(2)              B =23.553(2)               C =7.742(2)            
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 3719.2(7)