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       **Program REFINE Version 3.0**  Kurt Bartelmehs and Bob Downs, 1998
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 R060358
 
 Symmetry constraint is: CUBIC       
 
 Wavelength #1 =  1.541838
 Wavelength #2 =  1.540562
 Wavelength #3 =  1.544390
 
 Refinement after correcting for machine error
  
 MACHINE ERROR:   -0.037
  
         OBSERVED                         CALCULATED          DIFFERENCE
    2theta      d     h  k  l  Wave#  2theta       d      2theta       d
   20.8551 4.263450   2  2  0    2   20.8553  4.263408    0.0002  0.000041
   29.6464 3.014545   4  0  0    2   29.6450  3.014685   -0.0014 -0.000140
   33.2337 2.696522   4  2  0    2   33.2350  2.696416    0.0013  0.000106
   34.9097 2.570666   3  3  2    2   34.9060  2.570932   -0.0037 -0.000266
   36.5088 2.461539   4  2  2    2   36.5097  2.461480    0.0009  0.000059
   38.0551 2.364900   4  3  1    2   38.0549  2.364913   -0.0002 -0.000013
   40.9920 2.201834   5  2  1    2   40.9963  2.201615    0.0043  0.000220
   46.4232 1.955883   5  3  2    2   46.4156  1.956186   -0.0076 -0.000303
   47.7024 1.906334   6  2  0    2   47.6939  1.906654   -0.0085 -0.000320
   54.8955 1.672162   6  4  0    2   54.8925  1.672246   -0.0030 -0.000084
   57.1423 1.611592   6  4  2    2   57.1491  1.611417    0.0068  0.000175
   61.5019 1.507321   8  0  0    2   61.5009  1.507342   -0.0010 -0.000022
   69.7149 1.348369   8  4  0    2   69.7244  1.348208    0.0095  0.000161
   71.6979 1.315852   8  4  2    2   71.7064  1.315716    0.0085  0.000136
   73.6701 1.285404   6  6  4    2   73.6660  1.285466   -0.0041 -0.000062
   86.9819 1.119590   8  6  4    2   86.9784  1.119626   -0.0035 -0.000036
   88.8531 1.100777  10  4  2    2   88.8500  1.100807   -0.0031 -0.000030

 rmse = 0.00006427747
 
     A =    12.0587(2)         B =    12.0587(2)          C =    12.0587(2)      
 Alpha =    90.             Beta =    90.             Gamma =    90.             
 
 Volume =   1753.49(10)