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###########################################################################
## Athena is copyright (c) 2001-2010 Bruce Ravel
## bravel@anl.gov
## http://cars9.uchicago.edu/~ravel/
##
## Ifeffit is copyright (c) 1992-2006 Matt Newville
## newville@cars.uchicago.edu
## http://cars9.uchicago.edu/~newville/ifeffit/
##
## The latest version of Athena can always be found at
## http://cars9.uchicago.edu/~ravel/software/exafs/
##
## -------------------------------------------------------------------
## 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 is the master configuration file for Athena. It is used
## to generate the files athenarc, athena.ini, and rc.pl. It is also
## used to populate the preferences dialog in Athena.
##
## This is actually a fairly structured file. Beginning-of-line
## whitespace is important, as are the empty lines and the lines that
## begin with a dot. The parser for this file is fairly stupid, so if
## you make mistakes in the use of whitespace, bad things will
## happen. Also, order matters. It is very important that type=
## comes before default=
## variable types widget
## string Entry
## regex Entry
## real Entry -- validates to accept only numbers
## positive integer NumEntry, restricted to be >= 0
## list Menubutton
## boolean Checkbutton
## keypress Entry -- rigged to display one character at a time
## color Button -- launches color browser
## font Button -- does nothing at this time
######################################################################
section=general
section_description
These variables determine aspects of the overall behavior of Athena.
variable=query_save
type=boolean
default=true
onvalue=1
description
When this variable is true, Athena will always ask you if you want
to save your current project before quitting the program.
variable=query_constrain
type=boolean
default=false
onvalue=1
description
When this variable is true, Athena will always ask before performing any
one of the actions that constrains parameter values for all groups or for
a set of marked groups. When false, Athena will only ask when attempting
constrain E0 or the E0 shift.
variable=listside
type=list
values=right left
default=right
description
The side of the main window on which Athena displays the Groups
list and the plotting parameters.
variable=mru_limit
type=positive integer
default=16
description
The length of the history of most recently used files that Athena
will remember and display in the "Files->Recent files" menu.
variable=mru_display
type=list
values=full name
default=full
description
This tells Athena how to display files in the Recent Files menu.
"full" means to display the fully resolved filenames, "name" means
to strip the path and just display the name of the file.
variable=compress_prj
type=boolean
onvalue=1
default=true
description
This tells Athena to use compression when saving project files.
variable=remember_cwd
type=boolean
onvalue=1
default=false
description
This tells Athena to start up in the current directory that was in-use in
the last Athena session.
variable=purge_stash
type=boolean
onvalue=1
default=true
description
When this is true, Athenas stash directory will be purged everytime
the program exits. The stash is used to temporarily store files
during certain operations, such as washing Macintosh end-of-line
characters and handling extremely long file names. It should always
be safe to purge these files and not doing so will slowly fill up
your hard drive.
variable=user_key
type=keypress
default=comma
description
This is the keysym of the key that will be used as the start of a
user defined key binding. To change this from its default, position
the mouse over the entry box and press the key you want to use for
user-defined key bindings and its keysym will be inserted.
User-defined key bindings then will begin by pressing control and
your key choice.
.
You will find the the key binding scheme used in Athena will only
work with unshifted key presses. On an english keyboard, for
example, you can use 2 but not @ (which is the shifted 2 key) as
your control key.
.
Perl/Tk uses the X-windows system of interpretting key press events.
Alphanumeric keys are identified as you would expect "a" is "a", "2"
is "2", and so on. Other key press events have non-obvious keysyms
associated with them. For instance "," is "comma" and "]" is
"bracketright". Unfortunately, all this makes this configuration
widget somewhat confusing.
variable=mac_eol
type=list
values=fix ask skip
default=fix
description
This tells Athena what to do when it attempts to import a file with
Macintosh end-of-line characters. This is needed because Ifeffit
may not correctly interpret files those files. Athena can either
fix the file by overwriting it with Unix end-of-line characters or
skip the file and not import it. The end-of-line conversion does
not otherwise change the data. If you do not want the end-of-line
characters changed, then you should choose the skip option. If you
choose the ask option, you will be queried about fixing or skipping
each time a file with Mac end-of-line characters is imported.
variable=interp
type=list
values=line quad cubic
default=quad
description
This specifies what kind of interpolation is used for operations
that require interpolation. The values specify the order of
interpolation used.
. line linear interpolation
. quad quadratic interpolation
. cubic cubic interpolation
variable=minpts
type=positive integer
default=10
description
The minimum number of data points that an imported file must have
for Athena to consider it to be proper data. This is one of the
heuristics that Athena uses to avoid importing data that will cause
some trouble with one of its analytical procedures. In this case,
Athena attempts to reject data with insufficient points for the
background removal algorithm to work reliably. A common situation
wherein this heuristic is useful is when an scan that was aborted
during data collection is imported along with several reliable data
files.
variable=rel2tmk
type=boolean
onvalue=1
default=true
description
When true, this tells Athena to give special treatment to certain K
and L3 edge spectra. The algorithm Athena uses to determine the
element and edge of the spectrum often guesses that iron oxide
K-edge (metallic iron is at 7112 eV, but the E0 for an oxide might
be found near 7125) spectra are neodymium L1-edge (7126 eV). Since
iron oxide data is vastly more commonly measured than the Nd L1
edge, Athena will assume that your data is Fe K-edge when its
algorithm finds Nd L1 if this variable is true. The current list of
edges that get this special treatment are
. Prefer over
. =====================
. Fe K Nd L1
. Mn K Ce L1
. Cr K Ba L1
. Bi L3 Ir L1
. Se K Tl L3
. Rb K Pb L2
variable=autoplot
type=boolean
onvalue=1
default=true
description
When true, this tells Athena to plot the current column selection as
the column selection dialog is used. Each time a column button or
the natural log button is clicked, the autoplot will be updated.
variable=autoreplot
type=boolean
onvalue=1
default=false
description
When true, this tells Athena to perform a replot whenever a
parameter is updated. This replot will always be equivalent to
clicking the red button appropriate to the space of the most recent
plot. This may be undesirable on slower machines.
variable=groupreplot
type=list
values=none e k r q
default=none
description
This tells Athena whether to make a plot automatically when you click on a
data group while the normal view is displayed. The default is not to plot.
That is, clicking on a new group will only display its parameters in the
normal view.
variable=match_as
type=list
values=perl glob
default=perl
description
This tells Athena how to interpret the regular expressions used in the
marking and freezing functions that match group labels against user-supplied
regular expressions. "perl" means to interpret the user-supplied regular
expression using the regular expression syntax of the perl language. "glob"
means that shell-style globbing patterns will be used instead.
variable=i0_regex
type=regex
default=i(0$|o)
description
A perl regular expression used to recognize which column in a column
data file contains the data from the normalization (I0) detector.
The default value "i(0$|o)" matches any of i0, I0, io, Io, and IO.
Note that the interpretation of this parameter depends on the value
of the match_as preference. "i{0,o}" is the glob expression that is
pretty close to the default regular expression.
variable=transmission_regex
type=regex
default=^i($|1$|t)
description
A perl regular expression used to recognize which column in a column
data file contains the data from the transmission detector. The
default value "^i($|1$|t)" matches any of i, I, it, It, IT, i1, and
I1. Note that the interpretation of this parameter depends on the
value of the match_as preference. "i{1,t}" is the glob expression
that is pretty close to the default regular expression.
variable=fluorescence_regex
type=regex
default=i[fy]
description
A perl regular expression used to recognize which column in a column
data file contains the data from the fluorescence detector or the
electron yield detector. The default value "i[fy]" matches any of
if, If, IF, iy, Iy, and IY. Note that the interpretation of this
parameter depends on the value of the match_as preference. "i{f,y}"
is the glob expression that is pretty close to the default regular
expression.
variable=print_spooler
type=string
default=lpr
windows=""
description
This is the command for sending something to the printer. This
variable is not used on Windows.
variable=ps_device
type=string
default=/cps
description
This is the prefered format for printing plots. The value must be a
output device recognized by PGPLOT. Common values are
. /ps b&w postscript (landscape)
. /vps b&w postscript (portrait)
. /cps color postscript (landscape)
. /vcps color postscript (portrait)
######################################################################
section=doc
section_description
These variables control the behavior of the internal documentation
system.
variable=prefer
type=list
values=html pod
default=html
description
This variable sets the preference for how to view the internal
document. When set to html, Athena will attempt to start an
instance of a web browser and view the html version of the Athena
User's Guide. When set to pod, Athena will view the pod version in
the built-in pod browser. The html version is somewhat nicer in
that it has pictures, but the mechanism for starting the web browser
may be fragile on your system. If so, setting this variable to pod
will behave better.
variable=browser
type=list
values=konqueror opera firefox iceweasel seamonkey galeon epiphany flock mozilla netscape
default=firefox
description
When the prefer variable is set to html, this variable specifies
which is the prefered browser, but only for linux/bsd/other unix
users. This parameter is not used on Windows or Macintosh --
on those platforms the system default browser will be launched.
variable=zoom
type=positive integer
default=0
windows=2
maxint=8
description
The tool used to view the documentation defaults to a very tiny font
for some inscrutible reason. This parameter is used to zoom in on
the document view, making the document rather more legible. The
value of this parameter tells Athena how many steps to zoom in.
This should probably be an even number.
######################################################################
section=list
section_description
These variables control the layout of items in the group list.
These variables allow you tune the appearence of the group list for
your screen resolution and choice of font size.
variable=x1
type=real
default=0.8
restart=1
description
The distance from the left side of the list to the checkbutton.
variable=x2
type=real
default=0.85
restart=1
description
The distance from the left side of the list to the group label.
variable=y
type=real
default=0.86
windows=0.7
restart=1
description
The separation between items in the groups list.
######################################################################
section=plot
section_description
These variables determine the features of plots made by Athena.
Colors can be named colors from X11's rgb.txt file, any other named
colors that your system recognizes, or hexadecimal triplets
(i.e. "#0000FF" for blue and so on).
variable=k_w
type=list
values=0 1 2 3 kw
default=1
description
This sets the default plotting and Fourier transform k-weighting. If "kw"
is chosen, the arbitrary k-weight value for the forward Fourier transform
will be used. This value will be overridden by the plot options saved in a
project file.
variable=charsize
type=real
default=1.2
description
This sets the size of the font used in the plots. Very large and
very small values will result in strange plots. Anything smaller
than 0.75 will result in nearly illegible text. Any thing smaller
than 0 will result in axes and axis labels not being drawn. Text
larger than 2 may be useful, but since fine control over the spacing
between tics is not provided by Athena, such large text tends to
result in tic labels that run together.
variable=charfont
type=positive integer
default=1
minint=0
maxint=4
description
This is an integer that indicates the type of font to use in the
plots. The font choices are
. 1 sans serif
. 2 roman
. 3 italic
. 4 script
variable=key_x
type=real
default=0.8
units=fraction of the plot width
description
This variable is for customizing the location of the legend in an
ifeffit plot. This parameter specifies the location of the legend
on the x-axis. This customization was introduced in Ifeffit 1.2.6
and has no effect on earlier versions.
variable=key_y
type=real
default=0.9
units=fraction of the plot height
description
This variable is for customizing the location of the legend in an
ifeffit plot. This parameter specifies the top of the legend on the
y-axis. This customization was introduced in Ifeffit 1.2.6 and has
no effect on earlier versions.
variable=key_dy
type=real
default=0.075
units=fraction of the plot height
description
This variable is for customizing the location of the legend in an
ifeffit plot. This parameter specifies the offset in y between
entries in the legend. This customization was introduced in Ifeffit
1.2.6 and has no effect on earlier versions.
variable=bg
type=color
default=white
description
The background color of the plot.
variable=fg
type=color
default=black
description
The color used to draw the text and the axes of the plot.
variable=showgrid
type=boolean
onvalue=1
offvalue=0
default=true
description
This tells whether a grid will be drawn on the plot.
variable=grid
type=color
default=grey82
description
The color of the grid drawn on each plot. If you do not want a
grid to be drawn, unset the showgrid parameter.
variable=c0
type=color
default=blue
description
The color of the first line drawn in a plot.
variable=c1
type=color
default=red
description
The color of the second line drawn in a plot.
variable=c2
type=color
default=green4
description
The color of the third line drawn in a plot.
variable=c3
type=color
default=darkviolet
description
The color of the fourth line drawn in a plot.
variable=c4
type=color
default=darkorange
description
The color of the fifth line drawn in a plot.
variable=c5
type=color
default=brown
description
The color of the sixth line drawn in a plot.
variable=c6
type=color
default=deeppink
description
The color of the seventh line drawn in a plot.
variable=c7
type=color
default=gold
description
The color of the eighth line drawn in a plot.
variable=c8
type=color
default=cyan3
description
The color of the ninth line drawn in a plot.
variable=c9
type=color
default=yellowgreen
description
The color of the tenth line drawn in a plot.
variable=linetypes
type=boolean
onvalue=1
default=false
description
When true, this variable tells Athena to switch linetypes and
recycle colors every ten traces. If false, solid lines are used and
only the colors recycle every ten traces.
variable=showmarkers
type=boolean
onvalue=1
default=true
description
When true, this variable tells Athena to display markers in energy
plots. Markers indicate the locations of such things as E0, the
normalization range, and the pre-edge range.
variable=marker
type=positive integer
default=9
maxint=12
description
This is an integer that indicates the shape to use for the markers
which indicate special positions in energy. The shapes are as
follows:
. 1 dot
. 2 plus
. 3 asterisk
. 4 circle
. 5 X
. 6 square,
. 7 triangle
. 8 circle w/cross
. 9 circle w/dot
. 10 fancy square
. 11 diamond,
. 12 5-point star
variable=markersize
type=positive integer
default=2
maxint=5
description
This determines the size of the markers used to indicate special
positions in energy. The sizes range from 1 (smallest) to 5
(largest).
variable=markercolor
type=color
default=orange2
description
This determines the color of the markers used to indicate special
positions in energy.
variable=nindicators
type=positive integer
default=8
description
This determines the number of possible indicators that can be set.
Changing this parameter will not take effect until the next time you
start Athena.
variable=indicatorcolor
type=color
default=violetred
description
This is the color of the plot indicators, which are are used to
indicate user-defined points in any plotting space whenever new
plots are made.
variable=indicatorline
type=list
values=solid dashed dotted dot-dash
default=solid
description
This is the line style used for the plot indicators, which are are
used to indicate user-defined points in any plotting space whenever
new plots are made.
variable=pointfinder
type=positive integer
default=8
maxint=12
description
This is an integer that indicates the shape to use for the markers
displayed by the pointfinder. The shapes are as follows:
. 1 dot
. 2 plus
. 3 asterisk
. 4 circle
. 5 X
. 6 square,
. 7 triangle
. 8 circle w/cross
. 9 circle w/dot
. 10 fancy square
. 11 diamond,
. 12 5-point star
variable=pointfindersize
type=positive integer
default=2
maxint=5
description
This determines the size of the markers displayed by the
pointfinder. The sizes range from 1 (smallest) to 5 (largest).
variable=pointfindercolor
type=color
default=darkseagreen4
description
This determines the color of the markers displayed by the
pointfinder.
variable=bordercolor
type=color
default=wheat4
description
This is the color of the vertical lines used to indicate boundaries,
such as the fitting range in the peak fitting dialog or the
truncation energy in the truncation dialog.
variable=borderline
type=list
values=solid dashed dotted dot-dash
default=solid
description
This is the line style of the vertical lines used to indicate
boundaries, such as the fitting range in the peak fitting dialog or
the truncation energy in the truncation dialog.
variable=emin
type=real
default=-200
units=eV
description
The startup value for the minimum value of an energy plot. This
number is relative to the E0 of the current group or of the first
group in a marked data set plot. This value will be overridden by
the plot options saved in a project file.
variable=emax
type=real
default=800
units=eV
description
The startup value for the maximum value of an energy plot. This
number is relative to the E0 of the current group or of the first
group in a marked data set plot. This value will be overridden by
the plot options saved in a project file.
variable=kmin
type=real
default=0
units=inverse Angstroms
description
The startup value for the minimum value of a k plot. This value
will be overridden by the plot options saved in a project file.
variable=kmax
type=real
default=15
units=inverse Angstroms
description
The startup value for the maximum value of a k plot. This value
will be overridden by the plot options saved in a project file.
variable=rmin
type=real
default=0
units=Angstroms
description
The startup value for the minimum value of an R plot. This value
will be overridden by the plot options saved in a project file.
variable=rmax
type=real
default=6
units=Angstroms
description
The startup value for the maximum value of an R plot. This value
will be overridden by the plot options saved in a project file.
variable=qmin
type=real
default=0
units=inverse Angstroms
description
The startup value for the minimum value of a back-transformed k plot.
This value will be overridden by the plot options saved in a
project file.
variable=qmax
type=real
default=15
units=inverse Angstroms
description
The startup value for the maximum value of a back-transformed k plot.
This value will be overridden by the plot options saved in a
project file.
variable=smoothderiv
type=positive integer
default=3
maxint=6
description
When greater than 0, this tells Athena to smooth derivative spectra
before plotting them. The value is number of times to repeat the
smoothing. Ifeffit's three-point smoothing algorithm is used. Note
that the derivative withourt smoothing is written to Athena's output
files.
variable=e_mu
type=boolean
onvalue=m
default=true
description
This sets the plotting mode at startup for single data set plots in
energy. If true, the data is plotted by default. This value will
be overridden by the plot options saved in a project file.
variable=e_mu0
type=boolean
onvalue=z
default=true
description
This sets the plotting mode at startup for single data set plots in
energy. If true, the background spline is plotted by default. This
value will be overridden by the plot options saved in a project
file.
variable=e_pre
type=boolean
onvalue=p
default=false
description
This sets the plotting mode at startup for single data set plots in
energy. If true, the pre-edge line is plotted by default. This
value will be overridden by the plot options saved in a project
file.
variable=e_post
type=boolean
onvalue=t
default=false
description
This sets the plotting mode at startup for single data set plots in
energy. If true, the normalization line is plotted by default.
This value will be overridden by the plot options saved in a
project file.
variable=e_norm
type=boolean
onvalue=n
default=false
description
This sets the plotting mode at startup for single data set plots in
energy. If true, the normalized data and background ar plotted by
default. This value will be overridden by the plot options saved
in a project file.
variable=e_der
type=boolean
onvalue=d
default=false
description
This sets the plotting mode at startup for single data set plots in
energy. If true, the derivative of the data is plotted by default.
This value will be overridden by the plot options saved in a
project file.
variable=e_marked
type=list
values=m n d
default=n
description
This sets the plotting mode at startup for marked data set plots in
energy. This value will be overridden by the plot options saved in
a project file. The possible values are:
. m raw data
. n normalized data
. d derivative of the data
variable=k_win
type=boolean
onvalue=w
default=false
description
This sets whether the forward Fourier transform window is plotted by
default in k. This value will be overridden by the plot options
saved in a project file.
variable=k_marked
type=list
values=0 1 2 3 k
default=1
description
This sets the default k-weighting for marked data set plots in k.
If "k" is chosen, the value for the forward Fourier transform will
be used. This value will be overridden by the plot options saved
in a project file.
variable=r_mag
type=boolean
onvalue=m
default=true
description
This sets the plotting mode at startup for single data set plots in
R. If true, the magnitude of chi(R) is plotted by default. This
value will be overridden by the plot options saved in a project
file.
variable=r_env
type=boolean
onvalue=e
default=false
description
This sets the plotting mode at startup for single data set plots in
R. If true, the envelope of chi(R) is plotted by default. This
value will be overridden by the plot options saved in a project
file.
variable=r_re
type=boolean
onvalue=r
default=false
description
This sets the plotting mode at startup for single data set plots in
R. If true, the real part of chi(R) is plotted by default. This
value will be overridden by the plot options saved in a project
file.
variable=r_im
type=boolean
onvalue=i
default=false
description
This sets the plotting mode at startup for single data set plots in
R. If true, the imaginary part of chi(R) is plotted by default.
This value will be overridden by the plot options saved in a
project file.
variable=r_pha
type=boolean
onvalue=p
default=false
description
This sets the plotting mode at startup for single data set plots in
R. If true, the phase of chi(R) is plotted by default. This value
will be overridden by the plot options saved in a project file.
variable=r_win
type=boolean
onvalue=w
default=false
description
This sets the plotting mode at startup for single data set plots in
R. If true, the backward Fourier transform window is plotted by
default. This value will be overridden by the plot options saved
in a project file.
variable=r_marked
type=list
values=rm rr ri rp
default=rm
description
This sets the plotting mode at startup for marked data set plots in
R. This value will be overridden by the plot options saved in a
project file. The choices are:
. rm magnitude of chi(R)
. rr real part
. ri imaginary part
. rp phase
variable=q_mag
type=boolean
onvalue=m
default=false
description
This sets the plotting mode at startup for single data set plots in
back transformed k. If true, the magnitude of chi(q) is plotted by
default. This value will be overridden by the plot options saved
in a project file.
variable=q_env
type=boolean
onvalue=e
default=false
description
This sets the plotting mode at startup for single data set plots in
back transformed k. If true, the envelope of chi(q) is plotted by
default. This value will be overridden by the plot options saved
in a project file.
variable=q_re
type=boolean
onvalue=r
default=true
description
This sets the plotting mode at startup for single data set plots in
back transformed k. If true, the real part of chi(q) is plotted by
default. This value will be overridden by the plot options saved
in a project file.
variable=q_im
type=boolean
onvalue=i
default=false
description
This sets the plotting mode at startup for single data set plots in
back transformed k. If true, the imaginary part of chi(q) is
plotted by default. This value will be overridden by the plot
options saved in a project file.
variable=q_pha
type=boolean
onvalue=p
default=false
description
This sets the plotting mode at startup for single data set plots in
back transformed k. If true, the phase of chi(q) is plotted by
default. This value will be overridden by the plot options saved
in a project file.
variable=q_win
type=boolean
onvalue=w
default=false
description
This sets the plotting mode at startup for single data set plots in
back transformed k. If true, the backward Fourier transform window
is plotted by default. This value will be overridden by the plot
options saved in a project file.
variable=q_marked
type=list
values=qm qr qi qp
default=qr
description
This sets the plotting mode at startup for marked data set plots in
back transformed k. This value will be overridden by the plot
options saved in a project file. The choices are:
. qm magnitude of chi(q)
. qr real part
. qi imaginary part
. qp phase
######################################################################
section=bkg
section_description
These variables set the default values for the background removal
parameters. These values are used when a new data file is imported
or when all background parameters are reset to their defaults.
variable=e0
type=list
default=derivative
values=derivative zero fraction atomic
description
This determines how the default value of e0 is determined. The derivative
method is the ifeffit default and is related to finding the first maximum of
the first derivative of mu(E). The zero method finds the zero-crossing of
the second derivative which is closest to the e0 value found by ifeffit.
The half method will find by interpolation the energy value at 1/2 the step
height. The atomic method asigns the tabulated value to E0. This works by
first determining E0 using the derivative method to determine the atomic
species of the absorber. Then the E0 value is reset to the tabulated value.
Athena's author considers the atomic method to be silly, but has included it
for completeness.
variable=fraction
type=real
default=0.5
description
This variable is used when the e0 preference is set to "fraction". In that
case the edge energy is found by default as the point that is some fraction
of the edge step. By default this is 0.5, i.e. the edge energy is set to
the position of the half edge step. Setting this to a different value puts
the edge position at a different spot on the edge. If you set this 0 or a
negative number, 0.5 will be used. If you set this to a number larger than
1, 1 will be used.
variable=ledgepeak
type=string
default=0
description
This variable enables an algorithm which places the e0 value at the
peak of the white line for L3 and L2 edges of certain elements. If
this parameter is set to 0, then the algorihtm is not used. If it
is set to an element symbol, then any data recognized as L2 or L3
edge data for any element of that Z number or higher will have its
e0 value set to the top of the white line. This works by first
finding e0 using the algorithm set by the bkg->e0 preference. Once
found, e0 will be reset to the first zero crossing of the first
derivative after the initial value of e0. "Yb" is a good value for
this parameter.
variable=kw
type=positive integer
default=2
maxint=3
description
The default value for the k-weighting used to fit the background
spline.
variable=rbkg
type=real
default=1.0
units=Angstroms
description
The default value for the Rbkg parameter. This is the parameter
that defines the cutoff between the Fourier components associated
with the data from those associated with the background function.
The Fourier components below this value are optimized to determine
the spline. In the absence of a background removal standard, these
components are simply minimized. With a background removal
standard, these components are optimized to be like those of the
standard. A good rule of thumb for this parameter is that it should
be about 1/2 the distance to the first shell peak. Since peak
position varies from data set to data set, 1.0 is reasonable,
general-purpose default.
# variable=dk
# type=real
# default=0
# description
# The width of the Fourier window sill used for the Forward transform
# during background removal.
variable=pre1
type=real
default=-150
units=eV (relative to e0 or to the beginning of the data)
description
The beginning value for regressing the pre-edge line used in
normalization in units of eV. This is normally a negative number
and is relative to e0, i.e. something like -150 rather than
something like 8829. Pre2 should be closer to the edge energy than
pre1. A zero value means to use the *second* point in the imported
data. A positive number is interpreted as being that many volts
above the first data point. If you use a positive number, you run a
risk of placing this parameter past the edge, leading to a reduction
in the edge-step and an error in the determination of S02 and/or
coordination number in the data. A number between -1 and 1 will be
interpreted as keV.
variable=pre2
type=real
default=-30
units=eV (relative to e0 or to the beginning of the data)
description
The ending value for regressing the pre-edge line used in
normalization in units of eV. This should be a negative number and
is relative to e0, i.e. something like -30 rather than something
like 8949. Pre2 should be closer to the edge energy than pre1. A
positive number is interpreted as being that many volts above the
first data point. If you use a positive number, you run a risk
of placing this parameter past the edge. The pre-edge line should
start at least a few tens of eV below e0, or else the pre-edge line
will be influenced by the onset of the edge, leading to a reduction
in the edge-step and an error in the determination of S02 and/or
coordination number in the data. A number between -1 and 1 will be
interpreted as keV.
variable=nor1
type=real
default=150
units=eV (relative to e0)
description
The beginning value for regressing the post-edge line used to
determine the edge step, in units of eV. This should be a positive
number and is relative to e0, i.e. something like 100 rather than
something like 9079. Nor1 should be closer to zero than nor2. A
number between -5 and 5 will be interpreted as keV. Note that all
the data between nor1 and nor2 is used in the post-edge line
regression. If this range is wide compared to an oscillation in the
data, then the regression will be insensitive to the placement of
nor1 relative to the oscillations in the data.
variable=nor2
type=real
default=-100
units=eV (relative to e0 or to the end of the data)
description
The ending value for regressing the post-edge line used to determine
the edge step in units of eV. When positive, this is relative to
e0, i.e. something like 400 rather than something like 9379. A
value of 0 means to use the last data point. A negative value will
be subtracted from the end of the data set and that value will be
used as the ending value of the regression. A number between -5 and
5 will be interpreted as keV. If nor2 ends up being smaller than
nor1, they will be swapped. Note that all the data between nor1 and
nor2 is used in the post-edge line regression. If this range is
wide compared to an oscillation in the data, then the regression
will be insensitive to the placement of nor1 relative to the
oscillations in the data.
variable=nnorm
type=list
default=3
values=1 2 3
description
This sets the default normalization order. 3 means to use a cubic
polynomial for the post-edge regression. 2 means to use a line.
1 means to use the average of the signal between nor1 and nor2.
variable=step_increment
type=real
default=0.01
description
This is the amount that the edge step will be incremented or
decremented when clicking on the arrow buttons that control the
value of the edge step in the background removal section of the main
window. Although this can be as large as you would like it to be, a
value of 1 or 2 percent is receommended.
variable=flatten
type=boolean
onvalue=1
default=true
description
This variable determines whether Athena flattens a groups'
normalized mu(E) spectra defore displaying normalized mu(E) plots.
Flattening means to adjust the slope of the data after E0 such that
the data oscillates about 1. This is acomplished by fitting a
quadratic polynomial to the pre-edge subtracted spectra before
normalization. Then norm(E) = [pre(E) + (step-poly(E))*theta(E)] /
step, where
. step the value of the edge_step
. pre(E) pre-edge subtracted data
. poly(E) the fitted polynomial
. theta(E) a step function centered at E0
.
Setting this variable true means that flattened data will be
displayed, setting it to false means to display the normalized data
as it comes out of ifeffit's spline() function.
variable=spl1
type=real
default=0.0
units=inverse Angstroms
description
The beginning value in k-space for the region over which the
background spline is fit in units of inverse Angstroms. 0.0 or 0.5
are good choices. However if the white line is strong, it is useful
to set this to something to its right. Note that this will be the
first non-zero value in the chi(k) data.
variable=spl2
type=real
default=0
units=inverse Angstroms
description
The ending value in k-space for the region over which the background
spline is fit in units of inverse Angstroms. A value of 0 means to
use the last data point. A negative value will be subtracted from
the end of the data set and used as the ending value of the
regression. If you give a negative number and the value ends up
being below spl1, the end of the data set will be used instead.
# variable=win
# type=list
# default=kaiser-bessel
# values=hanning kaiser-bessel welch parzen sine
# description
# The default window type to use for the Fourier transform during the
# background removal.
variable=nclamp
type=positive integer
default=5
description
The number of data points used by the background removal algorithm
to evaluate the clamping restraint. A clamp is a numerical device
used either at the beginning or the end of the data range over which
the background spline is fit to coerce the spline not to deviate
from the data. Occassionally, the spline found by the Autobk
algorithm will diverge from the data at one end of the range or the
other. A clamp is essentially a penalty applied to the fitting
metric when this happens. Only the first (last) nclamp data points
are used to evaluate this penalty when a beginning (end) of data set
clamp is applied.
variable=clamp1
type=list
default=None
values=None Slight Weak Medium Strong Rigid
description
The default strength for the low-energy spline clamp used in the
background removal. A spline clamp is a penalty applied to the
fitting metric used in the background optimization. This restraint
penalizes the spline when it deviates from the data. The strength
of the clamp determines the size of the penalty.
variable=clamp2
type=list
default=Strong
values=None Slight Weak Medium Strong Rigid
description
The default strength for the high-energy spline clamp used in the
background removal. A spline clamp is a penalty applied to the
fitting metric used in the background optimization. This restraint
penalizes the spline when it deviates from the data. The strength
of the clamp determines the size of the penalty.
######################################################################
section=clamp
section_description
These variables set the numeric values that correspond to the
descriptive values of the spline clamps used in background removal.
variable=slight
type=positive integer
default=3
description
The default numeric value for the slight spline clamp.
variable=weak
type=positive integer
default=6
description
The default numeric value for the weak spline clamp.
variable=medium
type=positive integer
default=12
description
The default numeric value for the medium spline clamp.
variable=strong
type=positive integer
default=24
description
The default numeric value for the strong spline clamp.
variable=rigid
type=positive integer
default=96
description
The default numeric value for the rigid spline clamp.
######################################################################
section=fft
section_description
These variables set the default values for the forward Fourier
transform parameters. These values are used when a new data file is
imported or when all forward transform parameters are reset to their
defaults.
variable=pluck_replot
type=boolean
onvalue=1
offvalue=0
default=false
description
When this is true, Athena will automatically plot the Fourier
transform of the current group whenever the kmin or kmax pluck
buttons are used to grab k values from a plot.
variable=arbkw
type=real
default=0.5
description
The default value for the arbitrary k-weighting used for the forward
Fourier transform. 0.5 is chosen as a default to be somewhat
relevant for data measured on an even energy grid.
variable=dk
type=real
default=1
units=inverse Angstroms
description
The default width of the window sill used in the forward Fourier
transform.
variable=win
type=list
default=hanning
values=hanning kaiser-bessel welch parzen sine
description
The default window type to use for the forward Fourier transform.
variable=kmin
type=real
default=2
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=yes
offvalue=no
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 by Artemis. 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.
######################################################################
section=bft
section_description
These variables set the default values for the backwards Fourier
transform parameters. These values are used when a new data file is
imported or when all backward transform parameters are reset to
their defaults.
variable=dr
type=real
default=0.0
units=Angstroms
description
The default width of the window sill used in the backward Fourier
transform.
variable=win
type=list
default=hanning
values=hanning kaiser-bessel welch parzen sine
description
The default window type to use for the backward Fourier transform.
variable=rmin
type=real
default=1
units=Angstroms
description
The default value for the lower range of the backward Fourier
transform.
variable=rmax
type=real
default=3
units=Angstroms
description
The default value for the upper range of the backward Fourier
transform.
######################################################################
# section=plt
# section_description
# These variables set the default values for the group specific
# plotting parameters. These values are used when a new data file is
# imported or when all background parameters are reset to their
# defaults.
#
# multiplier
# offset
######################################################################
section=xanes
section_description
These variables set parameters related to Athena's special treatment
of XANES data.
variable=nor1
type=real
default=15
units=eV (relative to e0)
description
This is the default value for the lower bound of the normalization
range. This should be positive, but not so large that it is outside
the range of the data. A negative value means to set nor2 to that
many volts before the final data point.
variable=nor2
type=real
default=0
units=eV (relative to e0)
description
This is the default value for the ipper bound of the normalization
range. This should be positive. If the value is 0 or such that it
is beyond the range of data, then nor2 will be set to the last data
point. A negative value means to set nor2 to that many volts before
the final data point.
variable=cutoff
type=real
default=100
units=eV
description
As Athena begins to import a data file, a check is performed to try
to guess if a mu(E) data file is actually a XANES measurement as
opposed to an EXAFS measurement. This distinction is fairly
arbitrary. If the difference in the first and last energy points is
smaller than this value, then we presume that these are XANES data.
This is only used to set the data type menu in file selection
dialog, but choosing "xanes(E)" from that menu has significant
impact on how the data are handled. Also note that the check is
made on the first column in the data file. If the first column is
not the energy column, your data may be misidentified as XANES or
EXAFS data. Set this value to 0 to skip the test.
######################################################################
section=calibrate
section_description
These variables describe how data calibration behaves.
variable=calibrate_default
type=list
values=x n d 2
default=d
description
The kind of plot initially displayed when the data calibration dialog
is displayed. The possible values are
. x un-normalized xmu
. n normalized xmu
. d first derivative of xmu
. 2 second derivative of xmu
variable=emin
type=real
default=-20
units=eV (relative to e0)
description
This is the default value for the minimum energy that is plotted
when the calibration dialog starts. This can be changed during
calibration simply by editing the emin plotting option. The prior
value of emin will be restored after the calibration dialog is
closed. This should be a negative number, which denotes an energy
below the absorption edge.
variable=emax
type=real
default=40
units=eV (relative to e0)
description
This is the default value for the maximum energy that is plotted
when the calibration dialog starts. This can be changed during
calibration simply by editing the emax plotting option. The prior
value of emax will be restored after the calibration dialog is
closed. This should be a positive number, which denotes an energy
above the absorption edge.
######################################################################
section=rebin
section_description
These variables describe how data rebinning behaves. Rebinning is
performed using Ifeffit's boxcar algorithm. Rebinning is always
done in three regions: pre-edge, edge, and exafs.
variable=emin
type=real
default=-30
units=eV (relative to e0)
description
This variable is used to specify the default for the boundary
between the pre-edge and the edge region of the data. This is
typically a negative number.
variable=emax
type=real
default=50
units=eV (relative to e0)
description
This variable is used to specify the default for the boundary
between the end of the edge region of the data and the beginning of
the extended region (which is uniform in wavenumber rather than
energy). This is typically a positive number.
variable=pre
type=real
default=10
units=eV
description
This is the default step size of the pre-edge portion of the energy
grid. Equal steps in energy are always used in the pre-edge in
Athena's rebinning feature. This is typically a fairly large step.
variable=xanes
type=real
default=0.5
units=eV
description
This is the default step size of the edge portion of the energy
grid. Equal steps in energy are always used in the edge region in
Athena's rebinning feature. This is typically a fairly small step.
variable=exafs
type=real
default=0.05
units=invAng
description
This is the default step size of the extended portion of the energy
grid. Equal steps in wavenumber are always used in the extended
region in Athena's rebinning feature. This is typically a fairly
small step in wavenumber.
######################################################################
section=deglitch
section_description
These variables describe how data deglitching behaves.
variable=chie_emin
type=real
default=10
units=eV (relative to e0)
description
This is the default value for the minimum energy that is plotted
when chi(E) is displayed for deglitching. The way that chi(E) is
computed for display during deglitching, it is strictly zero below
the lower bound of the spline range. Thus a negative value is not
too useful, although it is not forbidden.
variable=emax
type=real
default=10
units=eV
description
This is the default value for the maximum energy of the tolerance
margin for the deglitching algorithm. The algorithm works by
removing all points which lie outside the margins, which are
parallel to and slightly above or below the post-edge line. This
value is computed reltaive to the last point in the data set. Thus
the default value of 10 volts extends the margine a small amount
beyond the end of the data set.
variable=margin
type=real
default=0.1
description
This value determines the amount by which the margin used to
algorithmically remove glitches extends above or below the post-edge
line. This number is multiplied by the step height to determine the
margin. The default is thus 10% of the step height.
######################################################################
section=sa
section_description
These variables control how self absorption corrections behave.
variable=algorithm
type=list
values=fluo booth troger atoms
default=fluo
description
This is the default algorithm to use on the self-absorption corrections
page. Athena contains several published algorithms for doing the
self-absorption correction. This is partly to the user can directly compare
the different approaches and partly because the author does not himself know
which one is best. The possibilities currently are:
. Fluo : A XANES correction
. Booth : An EXAFS correction
. Troger : An EXAFS correction
. Atoms : An EXAFS correction
See the Athena document for details about these algorithms.
variable=emin
type=real
default=-30
units=eV (relative to e0)
description
This is the default value for the minimum energy that is plotted when the
self absorption dialog starts. This can be changed during self absorption
correction simply by editing the emin plotting option. The prior value of
emin will be restored after the calibration dialog is closed. This should
be a negative number, which denotes an energy below the absorption edge.
variable=emax
type=real
default=100
units=eV (relative to e0)
description
This is the default value for the maximum energy that is plotted when the
self absorption correction dialog starts. This can be changed during self
absorption simply by editing the emax plotting option. The prior value of
emax will be restored after the calibration dialog is closed. This should
be a positive number, which denotes an energy above the absorption edge.
variable=thickness
type=real
default=10
units=microns
description
This is the default thickness for use in the self-absorption corrections.
variable=angle_in
type=positive integer
default=45
maxint=90
units=degrees
description
This is the default value for the incident angle used in the self-absorption
corrections.
variable=angle_out
type=positive integer
default=45
maxint=90
units=degrees
description
This is the default value for the outgoing angle used in the self-absorption
corrections.
######################################################################
section=mee
section_description
These variables describe how multi-electron excitation removal
behaves.
variable=enable
type=boolean
onvalue=1
offvalue=0
default=false
restart=1
description
When true, the multi-electron excitation removal dialog will be
available from the Data menu.
variable=plot
type=list
values=e k r q
default=k
description
The kind of plot displayed upon performing the multi-electron
excitation removal.
variable=shift
type=real
default=100
units=eV
description
This is the fallback energy shift when an entry is not found for
your element in the MEE database.
variable=width
type=real
default=1
units=eV
description
This is the default value for the additional broadening used in MEE
correction.
variable=amp
type=real
default=0.01
description
This is the default value for the amplitude factor used in MEE
correction.
variable=choice
type=list
values=Edge Arctangent
default=Edge
description
This is the default functional form of the correction.
######################################################################
section=align
section_description
These variables describe how data alignment behaves.
variable=align_default
type=list
values=x n d s
default=d
description
The kind of plot initially displayed when the data alignment dialog
is displayed. The possible values are
. x un-normalized xmu
. n normalized xmu
. d first derivative of xmu
. s smoothed first derivative of xmu
variable=fit
type=list
values=d s
default=d
description
The variable determines whether the derivative or the smoothed derivative if
used in the fit to determine automatic alignment. The possible values are
. d first derivative of xmu
. s smoothed first derivative of xmu
variable=emin
type=real
default=-30
units=eV (relative to e0)
description
This is the default value for the minimum energy that is plotted
when the alignment dialog starts. This can be changed during
alignment simply by editing the emin plotting option. The prior
value of emin will be restored after the calibration dialog is
closed. This should be a negative number, which denotes an energy
below the absorption edge.
variable=emax
type=real
default=100
units=eV (relative to e0)
description
This is the default value for the maximum energy that is plotted
when the alignment dialog starts. This can be changed during
alignment simply by editing the emax plotting option. The prior
value of emax will be restored after the calibration dialog is
closed. This should be a positive number, which denotes an energy
above the absorption edge.
######################################################################
section=pixel
section_description
These variables describe how the utility for converting and energy
calibrating pixel data behaves. This is used to handle data
obtained on a dispersive XAS beamline.
variable=do_pixel_check
type=boolean
onvalue=1
default=false
description
This variable must be true to enable pixel data conversion and
calibration in Athena. You only want this to be true when you are
dealing with dispersive data. If none of you data was measured in
dispersive mode, you will be much better off with this value set
false. Setting this false will speed up data import. The check the
Athena performs to identify data files containing pixel data is
somewhat time consuming.
variable=emin
type=real
default=-100
units=eV (relative to e0)
description
This is the default value for the minimum energy that is plotted
when the pixel dialog starts. This can be changed during
alignment simply by editing the emin plotting option. The prior
value of emin will be restored after the calibration dialog is
closed. This should be a negative number, which denotes an energy
below the absorption edge.
variable=emax
type=real
default=600
units=eV (relative to e0)
description
This is the default value for the maximum energy that is plotted
when the pixel dialog starts. This can be changed during
alignment simply by editing the emax plotting option. The prior
value of emax will be restored after the calibration dialog is
closed. This should be a positive number, which denotes an energy
above the absorption edge.
variable=resolution
type=real
default=0.5
units=eV
description
This is the default for the energy resolution of the detector,
i.e. the approximate bandwidth in energy measured by a single pixel.
This value is used as the initial guess for the linear term in the
calibration refinement when pixel data is compard to a standard. It
is also used to compute the initial guess for the constant term in
the calibration refinement. Note that the refinement is EXTREMELY
sensitive to this value. It is absolutely essential that your
initial guess is a good one or the refinement will certainly find a
false minimum, resulting in a poor calibration. See the document
section on dispersive data for details about the formula used in the
calbration refinement.
######################################################################
section=merge
section_description
These variables describe how data merging behaves.
variable=merge_weight
type=list
values=u n
default=u
description
This tells Athena how to weight spectra when computing merged
(i.e. average and standard deviation) spectra. The options are to
weight the data equally or to weight each by the high-R noise.
Merges computed in energy, k, or back-transformed k use Ifeffit's
epsilon_k value computed by the chi_noise function. Merges in R use
the epsilon_r values. These are computed from the average chi(R)
signal between 15 and 25 Angstroms.
. u normalize by unity
. n normalize by noise in chi
variable=plot
type=list
values=stddev data
default=stddev
description
This tells Athena what kind of plot to make after performing a merge
of data. The stddev option tells Athena to plot the mean of the
merged data along with the standard deviation of the merged data.
The data option tells Athena to do a multiple data set plot of all
the merged data along with the mean spectrum. In either case, the
plot is made in the space chosen for the merge, i.e. if a merge in
normalized mu(E) is requested, either plot option will be of
normalized spectra.
######################################################################
section=smooth
section_description
These variables describe how data smoothing behaves.
variable=iterations
type=positive integer
default=10
description
The default number of iterations to use in the iterative smoothing
algorithm. This works by applying Ifeffit smooth() function
repeatedly to the data set. The smooth() function smooths data by
three-point interpolation.
variable=rmax
type=real
default=6.0
units=Angstroms
description
The default for the maximum R value used in the backwards Fourier
transform for the Fourier smoothing algorithm. This works by
mirroring the mu(E) data about its end-point, forward transforming
the mirrored data, back transforming between 0 and the Rmax value,
and using the first half of the mirrored and back-transformed data
as the smoothed data.
######################################################################
section=diff
section_description
These variables describe how difference spectra are computed.
variable=emin
type=real
default=-10
units=eV (relative to e0)
description
This is the default value for the minimum energy over which the
difference spectrum is integrated when a difference spectrum is
computed in mu(E) or norm(E).
variable=emax
type=real
default=40
units=eV (relative to e0)
description
This is the default value for the maximum energy over which the
difference spectrum is integrated when a difference spectrum is
computed in mu(E) or norm(E).
variable=kmin
type=real
default=2
units=inverse Angstroms
description
This is the default value for the minimum k value over which the
difference spectrum is integrated when a difference spectrum is
computed in chi(k) or chi(q).
variable=kmax
type=real
default=12
units=inverse Angstroms
description
This is the default value for the maximum k value over which the
difference spectrum is integrated when a difference spectrum is
computed in chi(k) or chi(q).
variable=rmin
type=real
default=1
units=Angstroms
description
This is the default value for the minimum R value over which the
difference spectrum is integrated when a difference spectrum is
computed in chi(R).
variable=rmax
type=real
default=3
units=Angstroms
description
This is the default value for the maximum R value over which the
difference spectrum is integrated when a difference spectrum is
computed in chi(R).
######################################################################
section=peakfit
section_description
These variables describe how peak fitting behaves.
variable=maxpeaks
type=positive integer
default=6
restart=1
description
The maximum number of peak shapes (either Gaussians or Lorentzians)
that will be fit by Athena's peak-fitting function.
variable=fitmin
type=real
default=-20
units=eV (relative to e0)
description
This is the default value for the minimum energy that is used in the
fit. This should be a negative number, which denotes an energy
below the absorption edge.
variable=fitmax
type=real
default=20
units=eV (relative to e0)
description
This is the default value for the maximum energy that is used in the
fit. This should be a positive number, which denotes an energy
above the absorption edge.
variable=emin
type=real
default=-40
units=eV (relative to e0)
description
This is the default value for the minimum energy that is plotted
when the peak fitting dialog starts. This can be changed during
alignment simply by editing the emin plotting option. The prior
value of emin will be restored after the calibration dialog is
closed. This should be a negative number, which denotes an energy
below the absorption edge.
variable=emax
type=real
default=70
units=eV (relative to e0)
description
This is the default value for the maximum energy that is plotted
when the peak fitting dialog starts. This can be changed during
alignment simply by editing the emax plotting option. The prior
value of emax will be restored after the calibration dialog is
closed. This should be a positive number, which denotes an energy
above the absorption edge.
variable=components
type=boolean
onvalue=1
default=0
description
When this is true the default behavior will be to plot the
components of the fit along with the data and fit after the fit is
complete.
variable=difference
type=boolean
onvalue=1
default=0
description
When this is true the default behavior will be to plot the
difference between the data and the fit along with the data and fit
after the fit is complete.
variable=centroids
type=boolean
onvalue=1
default=0
description
When this is true the default behavior will be to marked the
centroids of the lineshapes on the data in each plot.
variable=peakamp
type=real
default=0.4
description
The default starting value for the amplitudes of the peak functions.
variable=peakwidth
type=real
default=1.0
units=Angstroms
description
The default starting value for the widths of the peak functions.
######################################################################
section=linearcombo
section_description
These variables describe how linear combination fitting behaves.
variable=marked_query
type=list
values=set ask skip
default=set
description
This variable determines how the operational parameters are handled
when doing fits on the ensemble of marked groups. On one hand, it
is possible to maintain the fitting range and other parameters
independently for different groups. On the other hand, it is likely
that the user would want to use the same parameters for every fit.
Setting this to "set" tells Athena to constrain linear combination
fit parameters among all marked groups before starting a marked
group fit. Setting it to "ask" will prompt the user for what to do
before proceeding with the fit. Setting to "skip" will proceed with
the fits without constraining the parameters and without prompting
the user.
variable=fitspace
type=list
values=e d k
default=e
description
This sets the default space for performing the linear combination
fit. The choices are to fit normalized mu(e), in which case the
normalized spectra for the unknown and the standards will be used in
the fit; derivative of normalized mu(E), in which case the
derivative spectra of the unknown and the standards will be used in
the fit; or to fit chi(k), in which case the chi(k) spectra of the
unknown and standards will be used in the fit.
variable=maxspectra
type=positive integer
default=8
minint=2
description
The maximum number of spectra allowed in a linear combination fit.
variable=energy
type=list
values=data grid
default=data
description
This tells Athena what energy axis to use for linear combination
fits using the normalized or derivative spectra. The data option
says to use the energy grid of the unknown data. All standards will
the be interpolated onto the energy grid of the data. The grid
option says to interpolate the data and all standards onto an even
energy grid with a grid spacing given by the grid parameter.
variable=grid
type=real
default=1
units=eV
description
When doing a fit to normalized or derivative spectra and when the
energy parameter is set to "grid", this parameter is used to make
the energy grid used in the fit. In that case, the grid has a
spacing given by this parameter between the values for fitmin and
fitmax. When the energy parameter is set to "data" this parameter
is unused.
variable=fitmin
type=real
default=-20
units=eV (relative to e0)
description
This is the default value for the minimum energy that is used in the
fit using norm(E) standards. This should be a negative number,
which denotes an energy below the absorption edge of the unknown
spectrum.
variable=fitmax
type=real
default=30
units=eV (relative to e0)
description
This is the default value for the maximum energy that is used in the
fit using norm(E) standards. This should be a positive number,
which denotes an energy above the absorption edge of the unknown
spectrum.
variable=fitmin_k
type=real
default=3
units=inverse Angstroms
description
This is the default value for the minimum k-value that is used in
the fit using chi(k) standards.
variable=fitmax_k
type=real
default=12
units=inverse Angstroms
description
This is the default value for the minimum k-value that is used in
the fit using chi(k) standards.
variable=emin
type=real
default=-40
units=eV (relative to e0)
description
This is the default value for the minimum energy that is plotted
when the linear combination fitting dialog starts. This can be
changed during alignment simply by editing the emin plotting option.
The prior value of emin will be restored after the calibration
dialog is closed. This should be a negative number, which denotes
an energy below the absorption edge.
variable=emax
type=real
default=70
units=eV (relative to e0)
description
This is the default value for the maximum energy that is plotted
when the linear combination fitting dialog starts. This can be
changed during alignment simply by editing the emax plotting option.
The prior value of emax will be restored after the calibration
dialog is closed. This should be a positive number, which denotes
an energy above the absorption edge.
variable=fite0
type=boolean
default=false
onvalue=1
description
When this is true, the default will be to adjust e0 for each
standard spectrum in the fit.
variable=components
type=boolean
default=false
onvalue=1
description
When this is true the default behavior will be to plot the
components of the fit along with the data and fit after the fit is
complete.
######################################################################
# section=foobaricate
# section_description
# These variables describe how foobarication behaves. This is an
# example for adding new functionality to Athena
#
# variable=var1
# type=string
# default=hi mom!
# description
# A string variable. Blah blah blah.
#
# variable=var2
# type=boolean
# onvalue=1
# default=1
# description
# A boolean variable. Blah blah blah.
######################################################################
section=colors
section_description
These variables determine the color palette used by Athena. All of
the default values are named colors from X11's rgb.txt file. You
can use X11 named colors, any other named colors that your system
recognizes, or hexadecimal triplets (i.e. "#0000FF" for blue and so
on).
variable=single
type=color
default=red4
windows=red2
restart=1
description
This is the color of buttons relating to single data set plots.
variable=marked
type=color
default=darkviolet
windows=mediumorchid
restart=1
description
This is the color of buttons relating to marked data set plots.
variable=foreground
type=color
default=black
restart=1
description
This is the color of text.
variable=background
type=color
default=cornsilk3
restart=1
description
This is the background color for almost all parts of Athena.
variable=inactivebackground
type=color
default=antiquewhite3
restart=1
description
This is the background color for inactive notebook tabs.
variable=activebackground
type=color
default=cornsilk2
restart=1
description
This is the background color used when the mouse passes over active
widgets.
variable=darkbackground
type=color
default=cornsilk3
restart=1
description
This is the background color for unused space in certain views.
variable=background2
type=color
default=bisque3
restart=1
description
This is the alternate background color used when Athena needs visual
contrast with the normal background. An example of this can be seen
on the peak fitting view or on the "Return to the main window"
button on the bottom of the Preferences dialog.
variable=activebackground2
type=color
default=bisque2
restart=1
description
This is the alternate background color used when the mouse passes
over alternately colored, active widgets. An example of this can be
seen on the peak fitting view.
variable=disabledforeground
type=color
default=grey50
restart=1
description
This is the text color for disabled widgets.
variable=highlightcolor
type=color
default=blue2
restart=1
description
This is the color used for highlighted text, such as the Group list
entries when the mouse passed over or the section headings on the
main screen.
variable=activehighlightcolor
type=color
default=blue3
restart=1
description
This is the color used for active, highlighted text, such as the
Group list entries when the mouse passed over or the section
headings on the main screen, when the mouse passes over.
variable=requiresupdate
type=color
default=steelblue4
description
This is the color used for the section headings on the main screen
for sections that are not up to date.
# variable=frozen
# type=color
# default=darkgreen
# description
# This is the color used for the section headings on the main screen
# for frozen groups.
#
# variable=frozenrequiresupdate
# type=color
# default=seagreen
# description
# This is the color used for the section headings on the main screen
# for frozen groups for sections that are not up to date.
variable=button
type=color
default=red4
restart=1
description
This is the color used for various buttons and checkbuttons.
variable=activebutton
type=color
default=brown3
restart=1
description
This is the active button color.
variable=mbutton
type=color
default=darkviolet
restart=1
description
This is the color of the marked plot buttons.
variable=activembutton
type=color
default=mediumpurple
restart=1
description
This is the active color of the marked plot buttons.
# mbutton = darkviolet
# activembutton = mediumpurple
variable=current
type=color
default=indianred1
description
This is color used to highlight the current group in the group
list. It is also used as the background color in the generic string
entry dialog.
variable=frozencurrent
type=color
default=palegreen2
description
This is color used to highlight the current group in the group
list if that group is frozen
variable=hlist
type=color
default=white
description
This is color used as the background in hierarchical list displays
######################################################################
section=fonts
section_description
These are the fonts used by Athena. There is currently no way of
modifying these within the preferences dialog. You will have to
edit the athenarc file directly.
variable=small
type=font
default=Helvetica 10 normal
windows=Helvetica 9 normal
variable_width=yes
restart=1
description
This is the normal-weight, small-sized font.
variable=smbold
type=font
default=Helvetica 10 bold
windows=Helvetica 9 bold
variable_width=yes
restart=1
description
This is the boldface, small-sized font.
variable=tiny
type=font
default=Helvetica 8 normal
variable_width=yes
restart=1
description
This is the normal-weight, tiny-sized font.
variable=med
type=font
default=Helvetica 12 normal
windows=Helvetica 10 normal
variable_width=yes
restart=1
description
This is the normal-weight, normal-sized font.
variable=medit
type=font
default=Helvetica 12 italic
windows=Helvetica 10 italic
variable_width=yes
restart=1
description
This is the normal-sized italic font.
variable=bold
type=font
default=Helvetica 12 bold
windows=Helvetica 10 bold
variable_width=yes
restart=1
description
This is the boldface, normal-sized font.
variable=boldit
type=font
default=Helvetica 12 bold italic
windows=Helvetica 10 bold italic
variable_width=yes
restart=1
description
This is the boldface, italic, normal-sized font.
variable=large
type=font
default=Helvetica 14 normal
variable_width=yes
restart=1
description
This is the normal-weight, large-sized font.
variable=fixed
type=font
default=Courier 14
windows=Courier 10
variable_width=no
restart=1
description
This is the normal-sized, fixed-width font used in various textual
displays.
variable=entry
type=font
default=Courier 12
windows=Courier 9
variable_width=no
restart=1
description
This is the font used in text entry boxes.
variable=entrybold
type=font
default=Courier 12 bold
windows=Courier 9 bold
variable_width=no
restart=1
description
This is the bold font used in text entry boxes.
end
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