Au/Si XPS collection — operando photoelectron spectra, frozen analysis tables, and reproduction code for Au/Si eutectic interface reactions

Companion deposit (single record) for two papers on Au/Si thin-film eutectic interface reactions studied by operando soft X-ray photoelectron spectroscopy at SPring-8 BL23SU: Toyoda et al., Appl. Surf. Sci. (2026), doi:10.1016/j.apsusc.2026.167346, and its companion in Surface Science (in review; DOI will be linked here upon publication). Contents: (1) the 861 raw VAMAS (.vms) files of the deposited measurement series, with SHA-256 ledgers recording the per-file adoption status — files consumed by the published analyses and files retained with a stated reason (adjustment scans, out-of-scope acquisitions, duplicates) are distinguished row by row; (2) analysis-ready CSV exports regenerated deterministically from the raw files by the deposited converters (bit-identical re-runs verified); (3) the frozen fitted result tables (21 CSV, byte-invariant with MD5 and SHA-256 manifests) that are the version of record for the reported onset temperatures; (4) an energy-reference module containing the three Fermi-level calibration tables with per-row provenance declaring, for each fitted value, whether it is regenerable from the raw data or archived as a session result; (5) reproduction code — Tier 1 reproduces Table 2 and the S5.5 heating-rate report from the frozen CSV using numpy/pandas/matplotlib/scipy, Tier 2 (raw spectra to fits) is fully documented but not one-click; (6) a reader-facing register of known traps in the raw data (TRAPS.md: unreliable region names, cumulative regions, mis-recorded photon-energy header fields, applied sample bias); (7) an exclusion ledger retaining, with reasons, every scan excluded from analysis. All spectra were measured at the JAEA soft X-ray beamline BL23SU of SPring-8 under the facility-sharing program of the Japan Atomic Energy Agency (JAEA) (Proposal Nos. 2018A-E21, 2018A3801, 2018A3835, 2018B-E14, 2018B3835, 2019A-E20, 2019A3835, 2019B-E18, and 2019B3835), supported by JSPS KAKENHI Grant No. JP19K05269. Code is released under the MIT license and data under CC BY 4.0.