T-REX: New software for advanced QEXAFS data analysis

Abstract

New approaches to analyze the data generated by modern time-resolved X-ray absorption spectroscopy instrumentation are presented as part of a new analysis software to handle files containing typically a few thousand EXAFS spectra. Various filter techniques to remove high-frequency noise and run-away values are discussed as well as advanced analysis tools like linear combination fitting, EXAFS fitting, principal component analysis and phase-sensitive detection. These techniques were implemented in a user-friendly graphical user interface to analyse huge data files where it is not possible to treat each spectrum separately. New ideas to exploit existent tools more efficiently for time-resolved EXAFS data analysis are discussed theoretically as well as applied to real measurements, especially in situ catalytic experiments and surface-sensitive reflection-mode X-ray absorption studies of thin film growth. © 2012 International Union of Crystallography Printed in Singapore-all rights reserved.