XAFSmass: A program for calculating the optimal mass of XAFS samples

Research output: Contribution to journalArticle

Abstract

We present a new implementation of the XAFSmass program that calculates the optimal mass of XAFS samples. It has several improvements as compared to the old Windows based program XAFSmass: 1) it is truly platform independent, as provided by Python language, 2) it has an improved parser of chemical formulas that enables parentheses and nested inclusion-to-matrix weight percentages. The program calculates the absorption edge height given the total optical thickness, operates with differently determined sample amounts (mass, pressure, density or sample area) depending on the aggregate state of the sample and solves the inverse problem of finding the elemental composition given the experimental absorption edge jump and the chemical formula.

Details

Authors
Organisations
External organisations
  • German Electron Synchrotron (DESY)
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Other Physics Topics
Original languageEnglish
Article number012008
JournalJournal of Physics: Conference Series
Volume712
Issue number1
Publication statusPublished - 2016
Publication categoryResearch
Peer-reviewedYes