Skip to main content

Quickstart

Rust​

use openszraw::reader::Reader;
use openmassspec_core::SpectrumSource;

fn main() -> Result<(), Box<dyn std::error::Error>> {
    let mut reader = Reader::open("sample.lcd")?;
    for spectrum in reader.iter_spectra() {
        println!("{}: {} peaks", spectrum.native_id, spectrum.mz.len());
    }
    Ok(())
}

Python​

import openszraw

reader = openszraw.RawReader("sample.lcd")
spectrum = reader.read_spectrum(0)
print(spectrum.ms_level, spectrum.retention_time_sec, len(spectrum))

Reader::open (and RawReader) auto-detects .qgd GC-MS vs .lcd IT-TOF vs .lcd QTOF from the file's internal CFBF stream layout - never from the filename or extension alone. See Format variants for what distinguishes the three.

Next​