******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R070174
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.032
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   29.6355 3.015085   1  1  1    2   29.6283  3.015807   -0.0072 -0.000722
   34.3401 2.611633   2  0  0    2   34.3383  2.611765   -0.0018 -0.000132
   49.3352 1.846754   2  2  0    2   49.3340  1.846797   -0.0012 -0.000043
   61.4624 1.508074   2  2  2    2   61.4701  1.507903    0.0077  0.000171
   72.3251 1.305886   4  0  0    2   72.3253  1.305883    0.0002  0.000004
   82.5552 1.167980   4  2  0    2   82.5520  1.168017   -0.0032 -0.000037

 rmse = 0.00005514499
 
     A =5.2235(1)              B =5.2235(1)               C =5.2235(1)           
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 142.53(1)