******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R070586
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.012
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   53.8431 1.701617   3  1  1    2   53.8505  1.701400    0.0074  0.000217
   83.9462 1.151903   4  2  2    2   83.9506  1.151853    0.0044  0.000049
   27.3605 3.258372   1  1  1    2   27.3643  3.257934    0.0038  0.000439
   31.6969 2.821623   2  0  0    2   31.6989  2.821453    0.0020  0.000170
   45.4352 1.995072   2  2  0    2   45.4353  1.995069    0.0001  0.000003
   75.2605 1.261764   4  2  0    2   75.2585  1.261792   -0.0020 -0.000029
   56.4574 1.628849   2  2  2    2   56.4529  1.628967   -0.0045 -0.000118
   66.2072 1.410600   4  0  0    2   66.2005  1.410727   -0.0067 -0.000126

 rmse = 0.00005940019
 
     A =5.6429(1)              B =5.6429(1)               C =5.6429(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 179.68(1)