operando

2D XRD images to calibrated 1D powder patterns: pyFAI calibration (LaB6/CeO2/Si), azimuthal integration, background, batch compare/heatmaps, peak/profile fitting (Scherrer/W-H), Le Bail/Rietveld, CIF simulation, and a four-view in-situ workbench — CLI + PySide6 app, Windows/macOS builds.

A set of scripts for constructing diffractograms taken in the operando mode during charge-discharge of the electrode material.

Semantic 4D grain tracking and failure prediction for operando synchrotron and neutron diffraction using foundation vision models.

A datamodel for describing entities and their semantic associations (e.g., mappings to vocabularies/ontologies) for scientific catalytic data at HZB, including synthesis, characterization, and operando and in situ characterization of catalytic materials.

Official analysis workflow for the paper "The topographic origin of chemomechanical failure in high-nickel cathodes." Python framework for processing 3D Dark-Field X-ray Microscopy (DFXM) volumes. Quantifies intragranular strain, mosaicity, and GND density to identify failure mechanisms in single-crystal cathodes.

Viewer for operando XRD series: contour plot, waterfall, animations and electrochemistry panel (Windows executable available)

Synchronize heterogeneous experimental instrument data onto one auditable timeline.

PySide6 desktop app for running PalmSens electrochemical measurements — live plotting, temperature-chamber control, and Battery Data Format export.