mzML export

The to_mzml example writes a minimal HUPO mzML 1.1 document covering the scans in a RAW file. It is also exposed as a method on the Python RawFile:

import opentfraw

raw = opentfraw.RawFile("run.raw")
raw.to_mzml("run.mzML")

The output is intentionally minimal: spectrum index, scan headers, m/z + intensity arrays (base64 + zlib), and the filter string. It is suitable as a bridge into existing mzML-based pipelines but does not attempt to reproduce every controlled-vocabulary annotation that ProteoWizard msconvert would emit.

For richer mzML, run msconvert on a Windows host with the ThermoRawFileParser tools; OpenTFRaw is designed to give you direct access to the binary, not to be a drop-in replacement for that toolchain.