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Online Size-exclusion and Ion-exchange Chromatography on a SAXS Beamline

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ProQEXAFS: a highly optimized parallelized rapid processing software for QEXAFS data.

Adam H Clark¹, Jerick Imbao¹, Ronald Frahm²

¹Paul Scherrer Institut, Forschungsstrasse 111, CH-5232 Villigen, Switzerland.

Journal of Synchrotron Radiation

|March 11, 2020

Summary

This summary is machine-generated.

New Python software efficiently processes fast X-ray absorption spectra (XAS) from quick-scanning EXAFS (QEXAFS) experiments. This tool simplifies data extraction and analysis for operando studies, making complex data accessible.

Keywords:

QEXAFS X-ray absorption spectroscopy XAS analysis

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Area of Science:

Materials Science
Chemistry
Physics

Background:

Quick-scanning X-ray Absorption Spectroscopy (QEXAFS) offers high temporal resolution for operando studies.
Acquiring data in QEXAFS mode presents challenges for efficient data processing.
Existing methods may not be optimized for the high data rates and complexity of QEXAFS.

Purpose of the Study:

To develop a novel, user-friendly approach for processing time-resolved X-ray Absorption Spectra (XAS) data.
To create optimized and parallelized routines for handling oversampled QEXAFS data.
To provide freely accessible software for the scientific community.

Main Methods:

Development of a graphical user interface (GUI) for interactive data handling.
Implementation of parallelized Python routines for data extraction, normalization, and interpolation.
Application to raw binary data streams from operando QEXAFS experiments.

Main Results:

Successful extraction, normalization, and interpolation of time-resolved XAS spectra.
Demonstration of efficient processing of oversampled data from QEXAFS.
Creation of a robust and accessible software package.

Conclusions:

The developed software provides an efficient and accessible solution for QEXAFS data processing.
The approach facilitates the analysis of dynamic processes studied with time-resolved XAS.
Freely available Python tools enhance research capabilities in operando X-ray spectroscopy.