******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050171
 
 Symmetry constraint is: HEXAGONAL   
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.015
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   17.1874 5.159468   1  1  0    2   17.1903  5.158613    0.0029  0.000855
   19.8762 4.466622   2  0  0    2   19.8723  4.467490   -0.0039 -0.000867
   21.0427 4.221396   1  1  1    2   21.0378  4.222360   -0.0049 -0.000964
   23.2980 3.817338   2  0  1    2   23.2966  3.817558   -0.0014 -0.000220
   24.2170 3.674424   0  0  2    2   24.2143  3.674834   -0.0027 -0.000410
   26.3813 3.377506   2  1  0    2   26.3845  3.377105    0.0032  0.000401
   29.0935 3.068351   2  1  1    2   29.0905  3.068661   -0.0030 -0.000309
   29.8469 2.992552   1  1  2    2   29.8419  2.993047   -0.0050 -0.000494
   40.7530 2.213054   1  1  3    2   40.7539  2.213005    0.0009  0.000049
   42.8156 2.111057   2  2  2    2   42.8130  2.111180   -0.0026 -0.000123
   46.5494 1.949993   4  1  0    2   46.5550  1.949772    0.0056  0.000221
   47.6114 1.908932   4  0  2    2   47.6154  1.908779    0.0040  0.000153
   49.5853 1.837439   0  0  4    2   49.5859  1.837417    0.0006  0.000022
   54.7964 1.674330   3  3  1    2   54.7966  1.674324    0.0002  0.000006
   73.3678 1.289620   4  4  0    2   73.3656  1.289653   -0.0022 -0.000033

 rmse = 0.00002909387
 
     A =    10.3172(2)         B =    10.3172(2)          C =     7.3496(3)      
 Alpha =    90.             Beta =    90.             Gamma =   120.             
 
 Volume =    677.52(3)