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1c85ad6
fix(features): peak-bounds apex relocation, bounded/de-duplicated fea…
RobbinBouwmeester Jul 17, 2026
020e4c0
fix(scoring/fdr): conservative tie-safe q, OOF-safe grouped-q, calibr…
RobbinBouwmeester Jul 17, 2026
b341388
fix(predict-frag): per-charge-group MS2PIP normalization; charge-2 fr…
RobbinBouwmeester Jul 17, 2026
2479b71
fix(sidecars): mokapot out-of-fold scores, collision-free entrapment …
RobbinBouwmeester Jul 17, 2026
a79f6a0
fix(native-rescore): standardize within fold, fold by peptide family
RobbinBouwmeester Jul 17, 2026
a5bbfb6
fix(extract/config): emit all predicted transitions, signature-ion ap…
RobbinBouwmeester Jul 17, 2026
46434c8
fix(extract): acquisition-grid apex + co-elution; MS1 evidence before…
RobbinBouwmeester Jul 17, 2026
e6deee1
feat(scripts): empirical transition reanalysis + held-out entrapment …
RobbinBouwmeester Jul 17, 2026
2187b0d
fix(extract): absent transitions emit an empty trace, not a grid-leng…
RobbinBouwmeester Jul 17, 2026
c6f268f
fix(io): 64-bit LargeList chrom columns to lift the 2.1B offset ceiling
RobbinBouwmeester Jul 17, 2026
2f46d6d
feat(sensitivity): rejection reasons, top-K peak enumeration, competi…
RobbinBouwmeester Jul 17, 2026
eb9da89
feat(sensitivity): candidate audit stage + `mumdia audit` (P0.3/P0.4)
RobbinBouwmeester Jul 17, 2026
de5ae2b
feat(sensitivity): configurable competition modes in compete (P2.4)
RobbinBouwmeester Jul 17, 2026
2271953
docs(sensitivity): architecture map, feature registry, status log, ne…
RobbinBouwmeester Jul 17, 2026
2a056b3
feat(sensitivity): emit candidate_audit.parquet from `run` when enabled
RobbinBouwmeester Jul 17, 2026
ed44e2a
feat(sensitivity): reference-apex top-K + feature-family ablation scr…
RobbinBouwmeester Jul 17, 2026
184d66b
docs(sensitivity): benchmark guide + status update with top-K + ablat…
RobbinBouwmeester Jul 17, 2026
048cccd
feat(sensitivity): apex-dispersion/peak-shape + mass-uncertainty feat…
RobbinBouwmeester Jul 17, 2026
4e85cab
feat(sensitivity): feature-audit, HTML report, diagnostic bundle, man…
RobbinBouwmeester Jul 17, 2026
4ebf765
feat(sensitivity): evidence-count apex selection option (extract.apex…
RobbinBouwmeester Jul 17, 2026
a9e3df6
feat(sensitivity): adaptive per-region RT extraction window (P3.2/P3.3)
RobbinBouwmeester Jul 17, 2026
6c5b479
docs(sensitivity): register +23 new features (383 total) + session-2 …
RobbinBouwmeester Jul 17, 2026
b55d3ba
feat(sensitivity): --rank-by count (evidence-breadth) in reference_ap…
RobbinBouwmeester Jul 17, 2026
b183fec
feat(sensitivity): retain top-K peak groups as evidence (P1.1/P1.2)
RobbinBouwmeester Jul 17, 2026
d61e3fe
feat(sensitivity): robust two-pass fragment mass calibration (P3.1)
RobbinBouwmeester Jul 17, 2026
f6e6a6f
feat(sensitivity): conflict-graph, localization, peak-selection sidec…
RobbinBouwmeester Jul 17, 2026
5896236
docs(sensitivity): session-3 large-items status (top-K validated, pea…
RobbinBouwmeester Jul 17, 2026
6de0b2f
docs: sync CLAUDE.md + sensitivity_plan derived docs with implemented…
RobbinBouwmeester Jul 17, 2026
10e8099
feat(sensitivity): co-elution correlation as the extraction gate (ext…
RobbinBouwmeester Jul 18, 2026
b2fa749
fix(sensitivity): restrict co-elution gate score to the elution peak,…
RobbinBouwmeester Jul 18, 2026
6fa59bb
feat(sensitivity): gate modes, PyTorch NN rescorer, parallel peak-cla…
RobbinBouwmeester Jul 20, 2026
efd63d7
feat(sensitivity): confident-seed global elution boundary (features.b…
RobbinBouwmeester Jul 21, 2026
9df1cc7
feat(rt): configurable DeepLC fine-tune hyperparameters (epochs, pati…
RobbinBouwmeester Jul 22, 2026
0202caa
fix(quant): configurable q-value filter column (quant.q_filter) for c…
RobbinBouwmeester Jul 22, 2026
b1a2fcc
feat(mbr): match-between-runs transfer, rescuable tier (Stage D3, M1-M4)
RobbinBouwmeester Jul 22, 2026
cf9fafc
feat(mbr): emit augmented scored table (M5)
RobbinBouwmeester Jul 22, 2026
ca01ee5
feat(mbr): fragment-consensus guard + re-extraction-tier target emission
RobbinBouwmeester Jul 22, 2026
aa6a6bc
fix: physical constants + FDR-estimator correctness (comment.md C10/C…
RobbinBouwmeester Jul 23, 2026
26553ac
feat: multi-context q-values + label whitelist (comment.md C1/C3/C16)
RobbinBouwmeester Jul 23, 2026
495c8cb
wip(sensitivity): q-filter, provenance, gate relax, validation + tests
RobbinBouwmeester Jul 23, 2026
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2 changes: 2 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -36,3 +36,5 @@ scripts/_probe*.py
# internal docs/specs/analysis: kept local, NOT published (public repo ships only READMEs)
/*.md
!/README.md
# local archive of superseded working docs (not published)
/_archive/
6 changes: 6 additions & 0 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -33,6 +33,12 @@ convert -> digest -> peptidoforms -> predict-frag -> search-seed ->
rt-im-train -> extract -> features -> compete -> rescore
```

Conversion retains all MS2 peaks by default. The seed search independently probes
the 300 most intense peaks per scan (`search_seed.top_n_peaks`) because it is used
only for calibration anchors. A non-zero `convert --top-peaks-ms2` (or the
corresponding `run` option) irreversibly truncates the normalized spectrum and
therefore also affects extraction, features, and quantification.

`mumdia run` orchestrates the whole chain on one file and writes a
`manifest.json`; `mumdia inspect <artifact>` prints schema, head, and row count
for any Parquet output.
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