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3.2.4 Fourier Transform Parameters and Fitting Ranges

For further information on the meaning and effect of the Fourier Transform Parameters, see the uwxafs3.0 reference document on Fourier transforms [11].


 
Table 2: Keywords for autobk, the format of their arguments (c for character string, n for number, l for logical flag), a brief explanation of their meaning. Where appropriate, valid values are given in (parentheses) and default values are given in [square brackets].  
General/Miscellaneous:      
%/! - 2lEnd-of-Line Comment: ignore everything after % or !.  
# - 2lComment Line: ignore line if # is in 1st column.  
-- - 2lEnd of Data set: stop reading inputs for this data set.  
       
Data Input and Output:      
Title c User chosen title line [none]
Formin c File Format of input data file (uw/ascii)
Formout c File Format of output data files (uw/ascii)
Format c File Format of input and output data files (uw/ascii)
Data c Name of input data file containing \ensuremath{\mu(E)} [none]
Theory c Name of input data file with \ensuremath{\chi(k)} for standard [none]
Out c Name of output data file [same as input]
Fixamp l Flag for fixing the amplitude of the standard \ensuremath{\chi(k)} (T/F) [F]
Fixe0 l Flag for not fitting the value of \ensuremath{E_0} (T/F) [F]
Bkgout l Flag for writing \ensuremath{\mu_{0}(E)} to output file (T/F) [T]
Bkgksp l Flag for writing \ensuremath{\mu_{0}(k)} to output file (T/F) [F]
Theksp l Flag for writing \ensuremath{\chi(k)} of standard to output file (T/F)[F]
Thersp l Flag for writing \ensuremath{\tilde\chi(R)} of standard to output file (T/F)[F]
Datrsp l Flag for writing \ensuremath{\tilde\chi(R)} of data to output file (T/F)[F]
Allout l Flag for writing all of the above outputs (T/F) [F]
       
Pre-Edge, \ensuremath{E_0}, and Normalization:      
E0 n Edge energy in eV. [found]
Pre1 n Low energy of pre-edge range, relative to \ensuremath{E_0} [-200]
Pre2 n High energy of pre-edge range, relative to \ensuremath{E_0} [-50]
Nor1 n Low energy of normalization range, relative to \ensuremath{E_0} [+100]
Nor2 n High energy of normalization range, relative to \ensuremath{E_0} [+300]
Step n Edge step [found]
       
Fitting Ranges/ Fourier Transform Windows:      
Rbkg n \ensuremath{R_{\rm bkg}} , maximum R value to fit the background [1.0]
R1st n \ensuremath{R_{\rm 1st}} for fit of standard to the first shell [Rbkg+2.0]
Emin n Starting E for the background spline [0.0]
Emax n Ending E for the background spline [last data point]
Kmin n Starting k for the background spline [0.0]
Kmax n Ending k for the background spline [last data point]
Kweight n k -weight for Fourier Transform [1.0]
Dk1 n Low-k Fourier Transform Window ``Sill'' [0.0]
Dk2 n High-k Fourier Transform Window ``Sill'' [0.0]
Dk n Both Dk1 and Dk2 [0.0]
Iwindo n Index of Fourier Transform Window Function [0]


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