Training datasets for "Coordination Number Labeling Consistency Enhances Machine Learning Performance on XANES Analysis"
Abstract
This archive contains the datasets used in the study “Coordination Number Labeling Consistency Enhances Machine Learning Performance on XANES Analysis”. The data support the training, evaluation, and validation of machine-learning models for predicting coordination numbers from Fe K-edge XANES spectra.
Fields of Study & Subjects
X-ray Spectroscopy and Fluorescence Analysis
Machine Learning in Materials Science
Spectroscopy and Chemometric Analyses
Publication details
- Journal / source
- Zenodo (CERN European Organization for Nuclear Research)
- Publication date
- 6 February 2026
- Language
- EN
- Document type
- Dataset