mzpeaks

Latest Version

mzpeaks implements the building blocks and machinery for representing peaks in a mass spectrum.

It's meant to be used as a building block for other tools and does not provide any I/O machinery for peak lists

Usage

```rust use mzpeaks::{CentroidPeak, PeakSet, PeakCollection, MassErrorType};

let peaks = PeakSet::new(vec![ CentroidPeak::new(186.04, 522.0, 0), CentroidPeak::new(204.07, 9800.0, 1), CentroidPeak::new(205.07, 150.0, 2) ]);

assert_eq!(peaks.search(204.05, 0.02, MassErrorType::Absolute).unwrap(), 1);

let peak = match peaks.has_peak(204.05, 0.02, MassErrorType::Absolute) { Some(p) => p, None => panic!("Failed to retrieve peak!") };

assert!((peak.mz - 204.07).abs() < 1e-6); ```