#mass-spectrometry #mass #imaging #reader #spectrometry #mzml

imzml

A library for reading the mass spectrometry (imaging) formats mzML and imzML

4 releases

0.1.3 Oct 13, 2022
0.1.2 Oct 13, 2022
0.1.1 Sep 14, 2022
0.1.0 Sep 14, 2022

#1732 in Parser implementations

Apache-2.0 OR MIT

635KB
13K SLoC

imzml

What does this crate do?

  • Read data in the mass spectrometry format mzML or the mass spectrometry imaging format imzML.
  • Validate the data file against the specification

Read mzML

let parser = MzMLReader::from_path("/path/to/data.mzML").unwrap();

for error in parser.errors() {
    println!("{:?}", error);
}

let mzml: MzML<_> = parser.into();

Validate mzML

use imzml::validation::full_validate;

let mut validation_errors = full_validate(parser.ontology(), mzml);

Read imzML

let parser = ImzMLReader::from_path("/path/to/data.imzML").unwrap();

for error in parser.errors() {
    println!("{:?}", error);
}

let imzml: ImzML<_> = parser.into();

let mz_772 = imzml.ion_image(772.573, 100.0);

Validate imzML

use imzml::validation::full_validate;

let mut validation_errors = full_validate(parser.ontology(), imzml);

lib.rs:

This library provides a means of accessing mass spectrometry and mass spectrometry imaging data stored in either the .mzML or .imzML data formats.

let parser = ImzMLReader::from_path("/path/to/data.imzML").unwrap();

for error in parser.errors() { println!("{:?}", error); }

let imzml: ImzML<_> = parser.into();

imzml.ion_image(772.573, 100.0);

Dependencies

~10MB
~270K SLoC