Module pseudo 

Build pseudo-DDA spectra from MS1/MS2 clusters and simple isotopic features.

Structs

PseudoFragment

One fragment peak in a pseudo-MS/MS spectrum.

PseudoSpecOpts

Options for building pseudo spectra, diaTracer-style.

PseudoSpectrum

One pseudo-DDA spectrum: precursor + set of fragment peaks.

Enums

PrecursorKey

Precursor identity: either an isotopic SimpleFeature or a single orphan MS1 cluster.

Functions

build_pseudo_spectra_from_pairs

Build pseudo-DDA spectra from:

build_pseudo_spectra_with_xic

High-level entrypoint:

cluster_mz_mu

Best-effort m/z “center” for a cluster.