2026-10-11T23:18:38Zhttps://www.radar-service.eu/oai/OAIHandler

10.35097/2phu5ftda3ngf41j2026-10-09T11:06:17Zradar4kit

https://dx.doi.org/10.35097/2phu5ftda3ngf41j De Campos, Leonardo Sheppard, Thomas L. Grunwaldt, Jan-Dierk XRD-CT Phase Map and Radial Profile Analysis for Catalyst Pellets Karlsruhe Institute of Technology 2026 Chemistry dataset Software info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by-nc/4.0/legalcode This dataset contains a Python/Jupyter Notebook-based workflow for visualizing and analyzing X-ray diffraction computed tomography (XRD-CT) phase maps from catalyst pellets. The workflow allows the loading, organization, and visualization of spatially resolved reconstructed phase maps, where each map corresponds to the distribution of a fitted crystalline phase within a pellet cross-section. The notebook includes tools for generating publication-style multi-panel phase maps, defining pellet masks from a selected reference phase, cleaning masks by filling internal holes and cracks, and calculating distance-to-surface radial profiles. The radial coordinate is defined such that: 0 = pellet core 1 = outer pellet region This approach avoids the need for a manually defined sample center and is suitable for irregular pellet shapes. The workflow also includes diagnostic plots showing phase maps with iso-contours, radial binning histograms, and radial concentration profiles. The script was developed using an Nb₂O₅-based catalyst pellet case study as reference; therefore, the default variables, phase dictionaries, mask definitions, and plotting settings follow this example dataset. However, these parameters can be modified and adapted to other beamstop-processed XRD-CT phase maps. Input data should consist of beamstop-processed XRD-CT phase maps exported in a compatible format, where each reconstructed map represents the spatial distribution of a fitted crystalline phase. This repository represents the archived version associated with the corresponding scientific work. The actively maintained version of the code is available in the linked GitHub repository. LINK: "https://github.com/Leonardolac97/XRD-CT-Radial-Profile-Analysis" The workflow is implemented in a Jupyter Notebook and uses beamstop-processed XRD-CT phase maps as input. Data can be loaded from local directories, organized by sample and crystalline phase, and used to generate phase-map figures, pellet masks, radial profiles, diagnostic iso-contour plots, and exported publication-quality figures. The notebook was prepared using an Nb₂O₅-based catalyst pellet case study as an example dataset. Phase names, plotting dictionaries, thresholds, mask definitions, and output paths can be modified by the user to accommodate other XRD-CT datasets. XRD-CT X-ray diffraction computed tomography radial profile catalyst pellets phase maps catalysis and data analysis https://publikationen.bibliothek.kit.edu/1000193634 application/x-tar