X-ray Absorption Spectroscopy software packages

The following all have some sort of web presence, not all of which are exactly up-to-date. This list is presented alphabetically by package name.

  • CDXAS : Classic and Dispersive X-ray Absorption Spectroscopy

  • CTM4XAS : multiplet calculations of core level spectral shapes from Frank de Groot

  • Demeter : Bruce Ravel’s collection of analysis programs (Athena, Artemis, and Hephaestus)

  • DL_Excurv : Later version of EXCURV98

  • EDA : EXAFS Data Analysis Software Package (EDA) from Alexai Kuzmin

  • EXAFSPAK from Graham George

  • FDMNES from Yves Joly

  • FEFF

  • FitIt


  • Larch : Matt Newville’s open-source library and set of applications for processing and analyzing X-ray absorption and fluorescence spectroscopy data and X-ray fluorescence and diffraction image data from synchrotron beamlines.

  • LASE : Logiciel d’Analyse des Spectres EXAFS

  • NPI and XAID

  • RSXAP : EXAFS Analysis Package from Corwin Booth


  • SixPACK : Sam’s Interface for XAS Package, a software package for x-ray absorption spectroscopy data from Sam Webb

  • TT-Multiplets

  • Viper and Xanda by Konstantin Klementiev

  • WinXAS by Thorsten Ressler

  • XANADU by Masao Takahashi and Hideto Sakane

  • XDAP for Windows from XAFS Services International

Here is ESRF’s rather dated list of XAFS software.

The morgue

The following are software packages that were on earlier versions of this list, but which do not seem to have existing web pages

  • Cerius2 XAFS from Accelrys Software Inc.

  • EXAFS123, citation: Padden KM, Krebs JF, MacBeth CE, Scarrow RC, Borovik AS. Immobilized metal complexes in porous organic hosts: Development of a material for the selective and reversible binding of nitric oxide. J. Am. Chem. Soc. (2001) 123:1072–1079.

  • EXCALIB, EXBACK, and EXBROOK]] from Daresbury Lab

  • EXTRA (??)

  • MAX ( Multiplatform Applications for XAFS) ]]: Alain Michalowicz’s (and coll.) collection of analysis programs, DOI: 10.1088/1742-6596/190/1/012034

  • XANES calculation with PARATEC : wikipedia page (for some reason), homepage (unresponsive)