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feat(extract): the diaPASEF gate on by default on spectra that carry 1/K0 - #211
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…1/K0 extract.gate_support_min is now an option: unset is 0.845 on spectra that carry 1/K0 and off otherwise, and an explicit value wins (0 turns it off). The gate is defined on the window-mean score, so under any other gate_mode it is off whatever the setting, and the extract report names the threshold only when it applied. Measured (docs/35 section 16): six 60-min HYE diaPASEF runs 96,955 against 98,524 peptides at 1% in 26.8 against 41.6 min; six 5-min HYE runs -1.75% in 22.5-23.5 against 42-46 min; the E. coli entrapment run -1.6% at an entrapment FDP of 0.32-0.35% against 0.30-0.38% (three NN seeds). Quantification unchanged or slightly better. Without 1/K0 nothing changes. The pipeline test of the 1/K0 evidence columns turns the gate off, as it already turned the window-mean threshold off, so its synthetic target passes. docs/35 also records the end-to-end prefilter timings (5-min HYE, 22 HeLa runs, one single cell). Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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Makes the diaPASEF gate (
extract.gate_support_min, added opt-in in #206) the default on spectra that carry 1/K0.Change
extract.gate_support_minbecomes an option. Unset is 0.845 on 1/K0 spectra and off otherwise; an explicit value wins, and 0 turns the gate off. Old configs that set a number keep working.gate_modeit is off whatever the setting, and the extract report names the threshold only when it applied.Why. On diaPASEF the window-mean gate at 0.6 passes 33% of the library, against about 5% on Astral and Orbitrap. The second gate keeps 41% of those candidates. It is a speed default that costs identifications.
Measured (docs/35 section 16):
Quantification accuracy is unchanged or slightly better (ProteoBench |epsilon| 0.171 vs 0.173). For a smaller loss, 0.82 gives -0.8% on E. coli (FDP 0.32-0.37%) for less of the speed.
Other changes
Checked:
cargo fmt, clippy-D warnings, workspace tests,cargo doc -D warnings, config reference regenerated. The smoke fixture has no 1/K0 arm, so it is unaffected.🤖 Generated with Claude Code