Metabolomics, NIST SRM 1950 plasma, Wave 2 (2026-05-08)
phalaena:run:PA-R-7-3-wave2-2026-05-08
Wave 2 run of paper 7.3 (NIST SRM 1950 reference plasma, four positive-mode HILIC LC-HRMS replicates). End-to-end through the untargeted metabolomics feature-finding chain (MZML_STATS → PEAK_PICKER → FEATURE_FINDER_METABO → FEATURE_MATRIX), SUCCESS; the validation snapshot records the summary schema as complete for this slot. This slot replaced an earlier MTBLS379 pick that turned out to be Apis cerana brain lipidomics on Waters MassLynx, not NIST plasma on Thermo Orbitrap (validation finding #18); the MANIFEST was rewritten to MTBLS2207 in commit fb339b1. The four mzML inputs are indexed mzML 1.1.2 at the source, so the optional RAW_TO_MZML ThermoRawFileParser stage is skipped. expected_summary_headlines is null for this slot in MANIFEST.json, so per-sample feature counts trace to the run's summary/summary.json rather than to a pinned regression value.
- kind
- run
- pipeline
- Untargeted metabolomics pipeline, release p1.1
- status
- reviewed
- googlebatch:91ec4a26549d5094c4383c3f0eac39c5
- metabolights:MTBLS2207
View Metabolomics, NIST SRM 1950 plasma, Wave 2 (2026-05-08) on the Phalaena Wiki