Crate mzdata[−][src]

Expand description

mzdata provides basic access to raw and processed mass spectrometry data formats in Rust.

The library currently supports reading:

MGF files using MGFReader in crate::io::mgf
mzML files using MzMLReader in crate::io::mzml

It also includes a set of representation layers for spectra in crate::spectrum

Example

use std::fs;
use mzdata::io::prelude::*;
use mzdata::io::mzml::MzMLReader;

let mut ms1_count = 0;
let mut msn_count = 0;
let mut reader = MzMLReader::new_indexed(fs::File::open("./test/data/small.mzML").unwrap());
for scan in reader {
    if scan.ms_level() == 1 {
        ms1_count += 1;
    } else {
        msn_count += 1;
    }
}
println!("MS1 Count: {}\nMSn Count: {}", ms1_count, msn_count);
assert_eq!(ms1_count, 14);
assert_eq!(msn_count, 34);

It also provides a sorted data structure for representing peak lists, PeakSet and a trait implementing the majority of the logic, PeakCollection.

Re-exports

pub use crate::peaks::coordinate::CoordinateDimension;

pub use crate::peaks::coordinate::CoordinateLike;

pub use crate::peaks::coordinate::Mass;

pub use crate::peaks::coordinate::MZ;

pub use crate::mass_error::MassErrorType;

pub use crate::peaks::peak::CentroidPeak;

pub use crate::peaks::peak::DeconvolutedPeak;

pub use crate::peaks::PeakCollection;

pub use crate::peaks::PeakSet;

pub use crate::io::mgf::MGFReader;

pub use crate::io::mzml::MzMLReader;

pub use crate::spectrum::CentroidSpectrum;

pub use crate::spectrum::RawSpectrum;

pub use crate::spectrum::SpectrumBehavior;

Modules

io

mass_error