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
incrate::io::mgf
- mzML files using
MzMLReader
incrate::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;