Training datasets for "Coordination Number Labeling Consistency Enhances Machine Learning Performance on XANES Analysis"
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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.
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Zenodo创建时间：
2026-02-10
