******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060125
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.091
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.8399 4.277388   2  2  0    2   20.8390  4.277563   -0.0009 -0.000175
   29.5996 3.024552   4  0  0    2   29.5982  3.024694   -0.0014 -0.000142
   33.1754 2.705370   4  2  0    2   33.1754  2.705368    0.0000  0.000001
   34.8197 2.580951   3  3  2    2   34.8403  2.579467    0.0206  0.001483
   36.4464 2.469113   4  2  2    2   36.4382  2.469652   -0.0082 -0.000539
   37.9718 2.373119   4  3  1    2   37.9777  2.372765    0.0059  0.000354
   40.9036 2.209156   5  2  1    2   40.9081  2.208924    0.0045  0.000232
   46.3118 1.962472   6  1  1    2   46.3066  1.962680   -0.0052 -0.000209
   47.5801 1.912976   6  2  0    2   47.5799  1.912984   -0.0002 -0.000008
   54.7481 1.677830   6  4  0    2   54.7492  1.677798    0.0011  0.000031
   57.0050 1.616538   6  4  2    2   56.9962  1.616767   -0.0088 -0.000229
   61.3419 1.512059   8  0  0    2   61.3290  1.512347   -0.0129 -0.000287
   69.5035 1.352864   8  4  0    2   69.5141  1.352684    0.0106  0.000180
   71.4871 1.320071   8  4  2    2   71.4862  1.320085   -0.0009 -0.000014
   73.4334 1.289770   6  6  4    2   73.4358  1.289734    0.0024  0.000037

 rmse = 0.00008653542
 
     A =12.0988(4)             B =12.0988(4)              C =12.0988(4)          
 Alpha =90                  Beta =90                  Gamma =90                  
 
 Volume = 1771.0(2)