Demeter

Description Perl tools for X-ray Absorption Spectroscopy
Demeter > Trigger Scripts > rdfit
Source

NAME

rdfit - Simple interaction with Demeter fit projects

VERSION

This documentation refers to Demeter version 0.9.26.

SYNOPSIS

  rdfit myfit.dpj

DESCRIPTION

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 >

DEPENDENCIES

Along with needing Demeter and Demeter::UI::Screen::Interview, this program requires Term::ANSIColor, Term::ReadLine, and Term::Twiddle.

BUGS AND LIMITATIONS

Please report problems to the Ifeffit Mailing List (http://cars9.uchicago.edu/mailman/listinfo/ifeffit/)

Patches are welcome.

AUTHOR

Bruce Ravel (http://bruceravel.github.io/home)

http://bruceravel.github.io/demeter/

LICENCE AND COPYRIGHT

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.