******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060075
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.111
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   67.2915 1.392284   8  0  0    2   67.2776  1.392539   -0.0139 -0.000255
   54.7123 1.679417   6  2  2    2   54.7106  1.679465   -0.0017 -0.000048
   85.4031 1.137001   8  4  4    2   85.4029  1.137003   -0.0002 -0.000003
   46.1613 1.969347   4  4  0    2   46.1613  1.969348    0.0000  0.000000
   35.1918 2.555862   3  3  1    2   35.1932  2.555763    0.0014  0.000099
   76.5117 1.245577   8  4  0    2   76.5154  1.245525    0.0037  0.000052
   27.8237 3.216360   2  2  2    2   27.8275  3.215931    0.0038  0.000428
   13.8632 6.433876   1  1  1    2   13.8675  6.431863    0.0043  0.002013
   32.2176 2.785510   4  0  0    2   32.2227  2.785078    0.0051  0.000431
   74.2422 1.277989   6  6  2    2   74.2495  1.277882    0.0073  0.000107

 rmse = 0.00007611996
 
     A =11.1403(3)             B =11.1403(3)              C =11.1403(3)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1382.6(1)