Python API

The Python bindings (crates/openszraw-py, a PyO3 crate) expose a small, eager reader built on the same Rust core as the Rust reader. Install with pip install openszraw, see Install.

import openszraw

reader = openszraw.RawReader("sample.lcd")

RawReader auto-detects .qgd GC-MS vs .lcd IT-TOF vs .lcd QTOF from the file's internal CFBF layout, exactly like the Rust reader (see Format variants). Opening it decodes every spectrum up front into memory, so construction is where the work happens and subsequent access is cheap. For streaming access over large acquisitions, use the Rust reader's iter_spectra instead.

RawReader

Member	Type	Description
RawReader(path)	constructor	Open the .qgd/.lcd file at path and decode it
scan_count	int	Number of decoded spectra
read_spectrum(index)	Spectrum	The spectrum at zero-based index (raises if out of range)

print(reader.scan_count)
for i in range(reader.scan_count):
    spectrum = reader.read_spectrum(i)
    ...

Spectrum

Attribute	Type	Description
mz	list[float]	m/z values (float64)
intensity	list[float]	Intensities (float32)
ms_level	int	MS level (1 for MS1, 2+ for MS/MS)
retention_time_sec	float	Retention time in seconds

len(spectrum) returns the peak count. For .lcd IT-TOF files, mz is calibrated physical m/z (derived from the file's own embedded TOF tuning data); for .lcd QTOF MS2 spectra, precursor m/z is not yet populated. See Scan data for the details and the current known limitations.

spectrum = reader.read_spectrum(0)
print(spectrum.ms_level, spectrum.retention_time_sec, len(spectrum))
mz, intensity = spectrum.mz, spectrum.intensity

Next

• Reader API (Rust)
• Scan data layouts