******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060149
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.069
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   23.8533 3.738020   0  1  2    2   23.8548  3.737790    0.0015  0.000230
   32.5766 2.752092   1  0  4    2   32.5768  2.752074    0.0002  0.000019
   35.2933 2.545806   1  1  0    2   35.2909  2.545975   -0.0024 -0.000168
   38.3736 2.347867   0  0  6    2   38.3693  2.348122   -0.0043 -0.000255
   40.3338 2.237971   1  1  3    2   40.3291  2.238221   -0.0047 -0.000250
   48.7590 1.868586   0  2  4    2   48.7504  1.868895   -0.0086 -0.000309
   53.0761 1.726120   2 -1  6    2   53.0772  1.726087    0.0011  0.000033
   56.2573 1.635699   0  1  8    2   56.2650  1.635492    0.0077  0.000207
   61.5618 1.506703   3 -1  4    2   61.5681  1.506565    0.0063  0.000139
   63.2713 1.470002   3  0  0    2   63.2753  1.469919    0.0040  0.000083
   70.1253 1.342009   1  0 10    2   70.1233  1.342043   -0.0020 -0.000034
   87.0637 1.119077   2  2  6    2   87.0604  1.119110   -0.0033 -0.000034

 rmse = 0.00005877606
 
     A =5.0920(2)              B =5.0920(2)               C =14.0887(6)          
 Alpha =90                  Beta =90                  Gamma =120                 
 
 Volume = 316.35(2)