x-ray-absorption-spectroscopy

Process and analyze X-ray Absorption Spectroscopy data using Feff and either Larch or Ifeffit.

X-ray Reference Data in SQLite library, including Python interface

Feff8L: Open Source theoretical EXAFS fitting standards

Fast Rust implementation of core xraylarch workflows for large XAS/XAFS datasets.

sloth: slowly evolving utilities for x-ray spectroscopists

Rust wrapper for FEFF10 X-ray absorption and electronic structure calculations.

Reference XAS spectra dataset and Python access tools for beamline data.

Pure-Rust port of XrayDB for elemental X-ray reference data.

X-ray reference database and calculation tools built with Rust, WebAssembly, and React.

Manual for installing Demeter in Ubuntu 20.04(x64)

EXAFS fitting using neural networks and PyTorch.

An open access, integrated XAS data repository at Diamond Light Source

DecomNano is a heterogeneity analysis of bimetallic nanoparticles using coordination numbers obtained from XAS analysis.

Utility scripts for XAFS/XANES workflows, including NN-XANES helpers and XYZ-to-FEFF conversion.

Python tool for rebinning raw XAS data.

Remove Bragg peaks from XAS spectra using IBR-AIC for transmission and fluorescence measurements.

An AiiDA plugin designed for core-level spectroscopy calculations using Quantum ESPRESSO

Process and analyze X-ray Absorption Spectroscopy data using Feff and either Larch or Ifeffit.

JavaScript implementation of MUCAL for estimating X-ray cross sections.

Python package for aligning XAS spectra.