******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050290
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.034
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   22.4277 3.966819   0  1  2    2   22.4128  3.969419   -0.0149 -0.002600
   26.6980 3.340423   2  1  1    2   26.7034  3.339765    0.0054  0.000658
   27.6952 3.222223   2  0  2    2   27.6874  3.223108   -0.0078 -0.000886
   27.9834 3.189648   3  0  0    2   27.9967  3.188164    0.0133  0.001484
   32.1617 2.783722   1  2  2    2   32.1627  2.783635    0.0010  0.000087
   34.8741 2.572961   1  1  3    2   34.8675  2.573436   -0.0066 -0.000475
   35.3714 2.537883   1  3  1    2   35.3694  2.538021   -0.0020 -0.000138
   39.7552 2.267310   3  1  2    2   39.7677  2.266626    0.0125  0.000684
   46.3025 1.960564   2  3  2    2   46.3094  1.960287    0.0069  0.000277
   48.7475 1.867722   2  1  4    2   48.7471  1.867736   -0.0004 -0.000015
   51.6360 1.769755   2  4  1    2   51.6301  1.769944   -0.0059 -0.000189
   54.4469 1.684784   1  3  4    2   54.4428  1.684902   -0.0041 -0.000118
   60.4295 1.531415   5  2  0    2   60.4238  1.531545   -0.0057 -0.000130
   67.2346 1.391915   2  4  4    2   67.2400  1.391817    0.0054  0.000098

 rmse = 0.00007049712
 
     A =11.0441(6)             B =11.0441(6)              C =8.7258(9)           
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 921.7(0)