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::open_path("./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::io::mgf::MGFReader;

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

pub use crate::params::Param;

pub use crate::params::ParamDescribed;

pub use crate::params::ParamList;

pub use crate::spectrum::CentroidSpectrum;

pub use crate::spectrum::RawSpectrum;

pub use crate::spectrum::SpectrumBehavior;

Modules

The data structures and components that represent a mass spectrum and how we access their data.

Macros

impl_param_described

Structs

Represent a single m/z coordinate with an intensity and an index. Nearly the most basic peak representation for peak-picked data.

DeconvolutedPeak

Represent a single neutral mass coordinate with an intensity, a known charge and an index.

Enums

Represents a unit of mass accuracy, and provides the means for measuring them.

Traits

A trait for an ordered container of mass spectral peaks. The trait interoperates with CoordinateLike.

Type Definitions

A PeakSetVec of CentroidPeak items ordered by m/z