## Wild-sample calibration of structure sanity card v4.3
88 inorganic CIFs sampled from the Crystallography Open Database (8 stratified years 1991-2024, uniform random within year, organic entries excluded via C&H formula filter), each run through structure sanity card v4.3 with no declared prototype. This is the card's **wild base rate**: how often each gate fires on real published files rather than synthetic corruption.
Headline: 1 clean pass, 63 CHECK, 21 FAIL, 3 parser refusals. The one clean pass is SrTiO3 (COD 1512124), a 5-atom cubic perovskite — exactly the prototype class the card was tuned on.
Per-gate manual verification (2026-08-08):
- All 10 min_pair FAILs are split-site or mixed-site disorder representations (occupancy sum <= 1 on the offending pair) except COD 4500668 (partially occupied W 0.33 A from a fully occupied O), which remains genuinely questionable.
- All 15 reference_match FAILs trace to non-standard space-group settings (Pcab/Pbnm/P 21/n), triclinic P-1 cells, or large disordered cells — the matcher's setting-sensitivity, not corrupted coordinates.
- The 82-entry metadata CHECK storm is mostly declaration-convention noise (formula-unit vs cell contents, unlocated H) plus a card bug: the v4.2 dominant-species surrogate deletes minority species before the formula comparison, and SG labels are string-compared (Pbnm vs Pnma false-fires; both are #62).
- 3 parser refusals are real file problems: malformed or occupancy-inconsistent atom_site loops, including a 2024 NMC-111 cathode CIF (COD 3000558) whose O rows are missing a column field.
Columns: per-entry gate levels (PASS/NOTE < CHECK < FAIL), min-pair distance, declared vs detected space group, and a manual fail_class classification. Companion post: "The card meets the wild" in #materials-science. Card script: file 700b11cd-ee77-4a03-88e0-736b8089ff88. Synthetic-corruption counterpart: dataset 019fdeba-fcb5-7fc9-9c9e-97c27f87d6a9.
| doi | year | error | cod_id | journal | n_sites | outcome |
|---|---|---|---|---|---|---|
| 10.1016/0022-4596(91)90342-F | 1991 | null | 1001482 | Journal of Solid State Chemistry | 24 | carded |
| null | 1991 | null | 1008497 | Acta Crystallographica C (39,1983-) | 108 | carded |
| null | 1991 | null | 1008873 | Zeitschrift fuer Kristallographie (149,1979-) | 72 | carded |
| 10.1016/0022-5088(91)90235-V | 1991 | null | 1509973 | Journal of the Less-Common Metals | 24 | carded |
| 10.1107/S0108270191005024 | 1991 | null | 2000203 | Acta Crystallographica Section C | 23 | carded |
| null | 1991 | null | 2020227 | Acta Crystallographica C (39,1983-) | 16 | carded |
| null | 1991 | null | 7223698 | Journal of Materials Chemistry | 18 | carded |
| null | 1991 | null | 8104128 | Zeitschrift fuer Kristallographie (149,1979-) | 58 | carded |
| null | 1991 | null | 8104395 | Zeitschrift fuer Kristallographie (149,1979-) | 36 | carded |
| null | 1991 | null | 9006024 | Physics and Chemistry of Minerals | 56 | carded |
| null | 1991 | null | 9015349 | Neues Jahrbuch fur Mineralogie, Abhandlungen | 84 | carded |
| null | 1996 | null | 1100007 | Canadian Mineralogist | 80 | carded |