Description | Perl tools for X-ray Absorption Spectroscopy |
rdfit - Simple interaction with Demeter fit projects
This documentation refers to Demeter version 0.9.26.
rdfit myfit.dpj
This program provides a simple, screen-based interaction with the results of a fit using Demeter which has been saved into a project file. All commands are entered as one or two keystrokes. You can plot your data in k, R, or q along with the fit and the paths. You can examine the guess, def, and set parameters and the fitting statistics. And you can view the log file. This is a fairly bare-bones application, but it provides most of what you need to examine your data analysis handiwork.
Here is an example of the main interview screen:
c#) change plotting parameter:
1) k-weight = 1 g) show guess, def, set parameters
2) plot space = r s) show statistics
3) R part = m d#) show fit parameters
4) q part = r l) show log file
5) plot paths = 0 v) show version
.
Data included in the fit
1. data0 : 10 K copper data
2. data1 : 150 K copper data
.
Choose data by number, select an operation by letter, or q=quit >
And here is an example of the guess, def, set interview with a report on one of the parameters:
Guess, def, set parameters:
.
1. g: alpha010 = -0.0067 2. g: alpha150 = 0.0030
3. g: amp = 0.9782 4. g: enot = 1.4856
5. g: theta = 314.8034 6. s: sigmm = 0.0005
.
alpha010
guess parameter
math expression: 0
evaluates to -0.00665617 +/- 0.00161217
annotation: "alpha010: -0.00665617 +/- 0.00161217"
.
Choose a parameter for a full report or r to return >
Along with needing Demeter and Demeter::UI::Screen::Interview, this program requires Term::ANSIColor, Term::ReadLine, and Term::Twiddle.
Please report problems to the Ifeffit Mailing List (http://cars9.uchicago.edu/mailman/listinfo/ifeffit/)
Patches are welcome.
Bruce Ravel (http://bruceravel.github.io/home)
http://bruceravel.github.io/demeter/
Copyright (c) 2006-2018 Bruce Ravel (http://bruceravel.github.io/home). All rights reserved.
This module is free software; you can redistribute it and/or modify it under the same terms as Perl itself. See perlgpl.
This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.