SHS: Structural Harmonic Spectrum – source code, computed corpus, scale- and chord-matching reports, comparison reports, and MIDI files

This deposit holds the reference implementation of the Structural Harmonic Spectrum (SHS) and the complete computed corpus for the preprint, The Structural Harmonic Spectrum (SHS): mapping atomic-scale architecture onto pitch-class sets, which is deposited separately under DOI 10.5281/zenodo.22874592. See README.txt for a description of the archive and its file-naming conventions. SHS maps the coordination geometry of an experimentally determined crystal structure onto musical pitch-class sets. Interatomic distances are grouped into gap shells and then into coordination shells by an orientation-tensor merge; the geometric-mean radius of each shell gives a structural interval I_S = 1200·log2(r_k/r_1) in cents and, folded into one octave, a musical interval I_M. Every threshold and convention is defined in the manuscript. Contents: the analysis script SHS.py and five further scripts that produce the derived reports; 288 canonical results over 581 crystallographically independent sites, one user-defined variant (CaCu5 under a forced merge), as HTML, JSON, CSV, interactive 3-D pages and MIDI; 95 element folders of elementary substances and 87 structure-type folders of multi-component compounds; 45 structure-type identity reports; scale- and chord-matching listings with guitar chord-shape pages; and a controlled musical example of six rendered clips with their frequency table. Provenance and licensing are documented in the archive. CIF_SOURCES.md and CIF_SOURCES.json map every result to its input, recording 108 Pearson identifiers and the SHA-256 of each input file; only two CIF files may be redistributed and are included, the rest of the inputs are named for traceability only. The code and the documentation are MIT licensed. The scale catalogue built into SHS.py is a checksummed snapshot of 551 templates from DaMuSc, redistributed under CC BY 4.0 and attributed in THIRD_PARTY_NOTICES.md and MUSICAL_TEMPLATE_SOURCES.md. The microtonal content of every MIDI file is carried by pitch bend: play Test_microtonality_for_player.mid first, because a player that ignores pitch bend renders the whole corpus in 12-tone equal temperament. Deposit version 1.0.1 differs from 1.0.0 only in authorship: the anonymised copyright and author lines of the review deposit are replaced by the author's name in LICENSE.txt, CITATION.cff, this file and the six scripts. No computed result changed, and SHS.py itself is unchanged at version 1.0.0, which is the version stamped in every generated report.