******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R050384
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.051
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   29.6064 3.019897   1  1  0    2   29.6118  3.019361    0.0054  0.000536
   36.4753 2.464619   1  1  1    2   36.4649  2.465298   -0.0104 -0.000679
   42.3393 2.135429   2  0  0    2   42.3480  2.135011    0.0087  0.000419
   61.4108 1.509643   2  2  0    2   61.4091  1.509681   -0.0017 -0.000038
   73.5533 1.287363   3  1  1    2   73.5469  1.287460   -0.0064 -0.000097
   77.3947 1.232729   2  2  2    2   77.4006  1.232649    0.0059  0.000080

 rmse = 0.00008130097
 
     A =     4.2700(2)         B =     4.2700(2)          C =     4.2700(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =     77.855(9)