******************************************************************************
       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
 ******************************************************************************
 
 R060444
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.033
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   30.1556 2.964279   4  0  0    2   30.1534  2.964486   -0.0022 -0.000208
   33.8116 2.651336   4  2  0    2   33.8092  2.651517   -0.0024 -0.000181
   35.5095 2.528238   3  3  2    2   35.5112  2.528122    0.0017  0.000116
   37.1462 2.420415   4  2  2    2   37.1450  2.420493   -0.0012 -0.000078
   38.7180 2.325612   4  3  1    2   38.7193  2.325534    0.0013  0.000078
   41.7170 2.164962   5  2  1    2   41.7172  2.164955    0.0002  0.000008
   47.2433 1.923618   6  1  1    2   47.2434  1.923613    0.0001  0.000006
   48.5413 1.875135   6  2  0    2   48.5476  1.874906    0.0063  0.000230
   53.5265 1.711546   4  4  4    2   53.5265  1.711547    0.0000 -0.000001
   55.8961 1.644430   6  4  0    2   55.8972  1.644401    0.0011  0.000029
   57.0632 1.613518   5  5  2    2   57.0576  1.613662   -0.0056 -0.000144
   58.2018 1.584616   6  4  2    2   58.2031  1.584585    0.0013  0.000032
   62.6582 1.482139   8  0  0    2   62.6533  1.482243   -0.0049 -0.000104
   71.0700 1.325859   8  4  0    2   71.0762  1.325759    0.0062  0.000100
   73.1175 1.293683   8  4  2    2   73.1093  1.293808   -0.0082 -0.000125
   75.1140 1.264157   6  6  4    2   75.1207  1.264061    0.0067  0.000096
   80.0715 1.197862   8  5  3    2   80.0738  1.197833    0.0023  0.000028
   83.0109 1.162728  10  2  0    2   83.0075  1.162767   -0.0034 -0.000039
   88.8275 1.100982   8  6  4    2   88.8275  1.100983    0.0000  0.000000

 rmse = 0.00005187393
 
     A =    11.8579(2)         B =    11.8579(2)          C =    11.8579(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1667.35(7)