mzdata 0.60.3

A library to read mass spectrometry data formats and a data model for mass spectra
Documentation 
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use mzdata::prelude::*;
use mzdata::spectrum::SignalContinuity;
use mzpeaks::Tolerance;
use std::io;

fn main() -> io::Result<()> {
    let reader = mzdata::MZReader::open_path("./test/data/small.mzML")?;

    let mut ms1_count = 0;
    let mut msn_count = 0;
    for spectrum in reader {
        if spectrum.ms_level() == 1 {
            ms1_count += 1;
        } else {
            msn_count += 1;
        }
        println!(
            "Scan {} => BP {}",
            spectrum.id(),
            spectrum.peaks().base_peak().mz
        );
        if spectrum.signal_continuity() < SignalContinuity::Profile {
            let peak_picked = spectrum.into_centroid().unwrap();
            println!(
                "Matches for 579.155: {:?}",
                peak_picked
                    .peaks
                    .all_peaks_for(579.155, Tolerance::Da(0.02))
            );
        }
    }
    println!("MS1 Count: {}\nMSn Count: {}", ms1_count, msn_count);
    assert_eq!(ms1_count, 14);
    assert_eq!(msn_count, 34);
    Ok(())
}