Inner-shell ionization form factors F(s, E0) for STEM-EDX: 525 channels (K, L1-L3, M1-M5) computed with Temari
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Inner-shell ionization form factors F(s, E0) for STEM-EDX, computed from first principles for isolated atoms: 525 channels (K, L1-L3, M1-M5), 14,796 rows, on a momentum grid extending to s = 16 A^-1 (321 nodes). Generated by Temari (https://github.com/seto77/Temari) with the prescription DHFS-KS23-DiracB-KDIRAC2C-jsplit-fullrange-sym-v4-DSCF: kappa-resolved Dirac continuum states in a fully relativistic self-consistent field, with a relaxed core hole. Absolute cross sections are Bote-Salvat (public domain coefficients), not this calculation; the engine's own sigma is reported alongside as a sanity indicator only. The archive is self-contained: it carries the JSON schema, a manifest with a per-file SHA-256 and an order-independent digest over all of them, and an executable contract - a reference loader depending on the Python standard library only, which also checks the traps a consumer falls into. Note that F is signed: 358 of the 525 channels contain negative values, so any path treating it as non-negative corrupts it silently. The momentum convention is q = 4pis. Beyond s_cert the stored values are exactly-zero padding rather than calculated. These and the remaining conventions are stated in the README and enforced by the bundled contract. Beyond s of about 4 A^-1 no external yardstick exists - the most recent published database in the field stops at q = 50 A^-1 - so that range is verified against internal identities and analytic limits rather than against other published numbers. The prescription was chosen and verified by the author; the bulk of the implementation was written by an AI assistant (Anthropic Claude) under that direction. Archive SHA-256: ceee8a2351d56a4feda6a3d6d69c943f094f88f30fc136728e7b64ff65518396 Manifest digest: fcd4e2bdd843d1bfe695a6d16bb338d7db6e0cc047c23140475ccb72f05ecbbd The data is CC-BY-4.0; the loader bundled with it is MIT (see LICENSE.md in the archive).



