******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060448
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.117
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   31.1197 2.882143   4  0  0    2   31.1245  2.881708    0.0048  0.000435
   34.8901 2.577781   4  2  0    2   34.8943  2.577478    0.0042  0.000303
   36.6471 2.457726   3  3  2    2   36.6501  2.457528    0.0030  0.000198
   38.3366 2.352877   4  2  2    2   38.3361  2.352904   -0.0005 -0.000027
   39.9585 2.260752   4  3  1    2   39.9613  2.260597    0.0028  0.000155
   43.0577 2.104486   5  2  1    2   43.0574  2.104502   -0.0003 -0.000015
   48.7720 1.869838   6  1  1    2   48.7703  1.869899   -0.0017 -0.000060
   55.2824 1.663576   4  4  4    2   55.2760  1.663755   -0.0064 -0.000179
   57.7358 1.598437   6  4  0    2   57.7340  1.598484   -0.0018 -0.000047
   60.1272 1.540328   6  4  2    2   60.1268  1.540337   -0.0004 -0.000010
   64.7518 1.440833   8  0  0    2   64.7508  1.440854   -0.0010 -0.000020
   73.5307 1.288699   8  4  0    2   73.5280  1.288739   -0.0027 -0.000040
   75.6511 1.257701   8  4  2    2   75.6526  1.257680    0.0015  0.000021
   77.7525 1.228824   6  6  4    2   77.7570  1.228764    0.0045  0.000059

 rmse = 0.00003624905
 
     A =    11.5268(1)         B =    11.5268(1)          C =    11.5268(1)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1531.54(6)