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## -*- config -*-
###########################################################################
## This configuration file is for Demeter version 0.9.21.
##
## Demeter is copyright (c) 2007-2016 Bruce Ravel
## http://bruceravel.github.io/home
##
## Ifeffit is copyright (c) 1992-2016 Matt Newville
## https://github.com/newville/ifeffit
##
## The latest version of Demeter can always be found at
## http://bruceravel.github.io/demeter/
##
## -------------------------------------------------------------------
## All rights reserved. This program is free software; you can
## redistribute it and/or modify it provided that the above notice
## of copyright, these terms of use, and the disclaimer of
## warranty below appear in the source code and documentation, and
## that none of the names of Argonne National Laboratory, The
## University of Chicago, University of Washington, or the authors
## appear in advertising or endorsement of works derived from this
## software without specific prior written permission from all
## parties.
##
## THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
## EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES
## OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
## NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT
## HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY,
## WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING
## FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR
## OTHER DEALINGS IN THIS SOFTWARE.
## -------------------------------------------------------------------
###########################################################################
## This file contains the fft configuration group for Demeter
######################################################################
section=fft
section_description
These parameters determine how forward Fourier transforms
are done by Demeter.
##fft_edge => 'K', # K L1 L2 L3
variable=dk
type=real
default=1
units=inverse Angstroms
description
The default width of the window sill used in the forward Fourier
transform. 0 is used if this is set to less than 0.
variable=kwindow
type=list
default=hanning
options=hanning kaiser-bessel welch parzen sine
description
The default window type to use for the forward Fourier transform.
variable=kmin
type=real
default=3
units=inverse Angstroms
description
The default value for the lower range of the forward Fourier
transform.
variable=kmax
type=real
default=-2
units=inverse Angstroms
description
The default value for the upper range of the forward Fourier
transform. 0 means to use the value predicted by Ifeffit's guess of
the point at which the level of noise exceeds the signal in the
data. A negative value means that kmax will be that many inverse
Angstroms before the last data point.
variable=pc
type=boolean
onvalue=1
offvalue=0
default=false
description
True means to apply central atom phase corrections by default to the
forward Fourier transform.
variable=rmax_out
type=real
default=10
units=Angstroms
description
This is the default value for the maximum value in R-space arrays
written by Ifeffit. Thus this sets the upper limit in R of the data
that can be displayed. If you wish to view the spectrum beyond this
value, you must increase it. The largest sensible value is 31.
Making this smaller than, say, 8 would probably be very foolish.
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