Crate openmassspec_core 

openmassspec-core is the shared foundation for the open Rust mass-spec parsers (opentfraw, opentimstdf, openwraw).

It exposes:

• Vendor-neutral spectrum / chromatogram / run records: SpectrumRecord, PrecursorInfo, ChromatogramRecord, RunMetadata, CvTerm.
• Shared enums: Polarity, ScanMode, Analyzer, MsPower, Activation, Compression.
• A trait every vendor parser implements: SpectrumSource.
• One canonical mzML 1.1.0 writer: write_mzml and write_indexed_mzml (zlib-compressed binary data arrays by default; write_mzml_with_compression/write_indexed_mzml_with_compression for explicit codec control).
• A streaming profile-to-centroid transform, Centroided, that wraps any SpectrumSource.

Each vendor crate is a standalone tool (a user can pull in opentfraw alone and get parsing and mzML export); openmassspec-core is the shared vocabulary that keeps the three parsers in lock-step.

Modules

arrow

Apache Arrow bridge for crate::SpectrumRecord.

conformance

Conformance checks for any crate::SpectrumSource.

Structs

Centroided

Wraps a SpectrumSource, centroiding every profile-mode spectrum it yields. Spectra already tagged ScanMode::Centroid pass through unchanged (idempotent).

ChromatogramRecord

A chromatogram trace (TIC, BPC, SRM/MRM transition).

CvTerm

A PSI-MS controlled-vocabulary term.

PrecursorInfo

Precursor metadata for an MS2+ spectrum.

RunMetadata

Run-level metadata.

SpectrumRecord

One fully-decoded spectrum.

Enums

Activation

Activation method used for MSn fragmentation.

Analyzer

Detector / mass analyzer family.

Compression

Compression codec applied to a <binaryDataArray>’s <binary> payload by the mzML writer.

Error

Stack-wide error type. Vendor errors are erased into a boxed trait object so this enum stays version-stable as vendor crates evolve.

MobilityArrayKind

Unit + meaning of a per-peak ion mobility array.

MsPower

MSn order (MS1, MS2, …).

Polarity

Scan polarity.

ScanMode

Whether a spectrum holds centroided peak picks or the raw profile signal.

Constants

VERSION

Crate version (set from Cargo.toml).

Traits

SpectrumSource

A source of decoded mass spectra.

Functions

write_indexed_mzml

Write the source’s spectra as indexed mzML 1.1.0 (with <indexList> and <fileChecksum> trailer), zlib-compressing binary data arrays (MS:1000574). Use write_indexed_mzml_with_compression to choose a different codec.

write_indexed_mzml_with_compression

Write the source’s spectra as indexed mzML 1.1.0 (with <indexList> and <fileChecksum> trailer), with an explicit choice of binary-data-array Compression.

write_mzml

Write the source’s spectra as mzML 1.1.0 (un-indexed), zlib-compressing binary data arrays (MS:1000574). Use write_mzml_with_compression to choose a different codec.

write_mzml_with_compression

Write the source’s spectra as mzML 1.1.0 (un-indexed), with an explicit choice of binary-data-array Compression.

Type Aliases

Result

Convenience alias.