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OpenTFRaw

Part of the OpenMassSpec stack

OpenTFRaw is one of the vendor readers in OpenMassSpec, a Rust- and Python-native stack for proteomics raw-file access. Sibling readers: OpenWRaw (Waters .raw/), OpenTimsTDF (Bruker .d/).

OpenTFRaw is a Rust library that reads Thermo Fisher .raw mass-spectrometry files - the binary format produced by Thermo ion traps, Orbitrap instruments and TSQ triple quadrupoles.

It runs on Linux, macOS, and Windows, with no dependency on the Thermo .NET runtime or RawFileReader library. The format was decoded by binary analysis of a public corpus of mass-spectrometry datasets (PRIDE accessions); see CORPUS.md.

Optional Python bindings are available via the opentfraw wheel.

What it covers​

ComponentStatus
File header + audit tagssupported
Sample information + sequence rowsupported
RAW file info + instrument method blocksupported
Run header (single + multi-controller)supported
Scan index + trailersupported
Scan-data packets (header + flat variants)supported
Scan event hierarchy + filter stringssupported
Scan parameters + generic data sectionsupported
Error log + instrument logsupported
Device / instrument classificationbest-effort
Full tune-method blockplanned

Tested format versions: 63, 64 and 66, on files from LTQ ion traps through Orbitrap Astral and TSQ Altis. The reader also has code paths for versions 8, 47, 57, 60 and 62, but the public test corpus has no file of those versions, so they are untested. The README lists known issues and coverage gaps.

Next steps​

License​

OpenTFRaw is Apache-2.0 licensed. See License.