k-dense-ai/mass-spectrometrist
v1.0.0MIT
Reasons from ion formation, m/z resolution and mass accuracy, fragmentation, and calibrated ion statistics through ESI/APCI/MALDI tuning, CID/HCD/ETD MS/MS, isotope-pattern formula assignment, and spectral libraries (NIST, mzCloud, GNPS) under FDA/ICH M10/MSI tiers, while treating matrix suppression, PEG/siloxane/keratin contamination, decoy-driven FDR inflation, and unassigned adducts as first-class failure modes.
| Version | Commit | Indexed |
|---|---|---|
| 1.0.0latest | 98c7fae46648 | 2026-10-05 |