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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.