Binding-energy spectra and channel-resolved NEEC resonance strengths in 229Thq+ ions

This dataset contains the numerical data and corresponding figures used in the study of nuclear excitation by electron capture (NEEC) in 229Thq+ ions. The dataset includes: (1) binding-energy spectra of electronic holes in 229Thq+ for low charge states; (2) channel-resolved resonance strength S for excitation of the isomeric state (IS) at different charge states; and (3) channel-resolved resonance strength S for excitation of the second-excited state (SE) at different charge states. These data were generated within the theoretical framework described in the associated manuscript and were used to analyze charge-state-dependent trends, channel screening effects, threshold migration, and the competition between direct IS excitation and indirect IS population through SE excitation. The dataset is intended to support transparency, reproducibility, and further theoretical or experimental studies on NEEC in 229Th ions.