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Quickstart

Rust​

use openaraw::reader::Reader;
use openmassspec_core::SpectrumSource;

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

The repo ships two examples:

cargo run --release --example to_mzml -- path/to/sample.d output.mzML
cargo run --release --example corpus_scan

to_mzml writes a minimal mzML file; corpus_scan runs the full conformance suite against every .d directory in a corpus index (used to validate the reader against all 338 corpus files, see Known limitations).

Python​

import openaraw

reader = openaraw.RawReader("sample.d")
spectrum = reader.read_spectrum(0)
print(spectrum.ms_level, spectrum.retention_time_sec, len(spectrum.mz))

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