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ATHENA, ARTEMIS, HEPHAESTUS: data analysis for X-ray absorption spectroscopy using IFEFFIT.

B Ravel1, M Newville

  • 1Naval Research Laboratory, Washington, DC 20375, USA. ravel@phys.washington.edu

Journal of Synchrotron Radiation
|June 22, 2005
PubMed
Summary

This study introduces a software package for X-ray absorption spectroscopy (XAS) data analysis. It offers accessible yet powerful tools for processing and analyzing XAS and EXAFS data for researchers.

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Area of Science:

  • Materials Science
  • Chemistry
  • Physics

Background:

  • X-ray absorption spectroscopy (XAS) is a powerful technique for probing the electronic and local structural properties of materials.
  • Analysis of XAS data often requires specialized software, which can be a barrier for researchers, especially novices.
  • Existing tools may lack the flexibility or power required by expert practitioners.

Purpose of the Study:

  • To present a comprehensive software package for the analysis of X-ray absorption spectroscopy (XAS) data.
  • To provide accessible and powerful tools for both novice and expert users in the field.
  • To facilitate high-quality data processing and analysis for XAS and EXAFS experiments.

Main Methods:

  • The software package is built upon the IFEFFIT library, incorporating numerical and XAS algorithms.

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  • It is developed using the Perl programming language and the Perl/Tk graphics toolkit.
  • The package includes distinct programs: ATHENA for XAS data processing, ARTEMIS for EXAFS analysis with FEFF standards, and HEPHAESTUS for beamline utilities.

    • Main Results:

    • The developed software package offers a user-friendly interface suitable for novices.
    • It provides advanced functionalities that meet the demands of expert XAS practitioners.
    • The programs are compatible with all major computer platforms, ensuring broad accessibility.

    Conclusions:

    • The presented software package significantly enhances the accessibility and quality of XAS data analysis.
    • It empowers researchers across various experience levels to effectively utilize XAS and EXAFS data.
    • The free availability and cross-platform compatibility promote wider adoption and advancement in the field.