README.md

In rformassspectrometry/Chromatograms: Infrastructure for Chromatographic Mass Spectrometry Data

Low level infrastructure to handle chromatographic data

This package, part of the R for Mass Spectrometry initiative, will provide support for handling and analysing chromatographic mass spectrometry (MS) data.

It will follow the API that is currenlty available in the Chromatogram class in the MSnbase package, with support for different backends to provide/represent the data, similar to the Spectra package.

General concept

A Chromatograms object is designed to contain multiple chromatographic data (i.e. chromatogram entities). The data will be stored linearly, i.e. as a long list of chromatograms. The Chromatograms object will be the main object for the end user, providing functionality to access, filter or process chromatographic data, with the actual chromatographic MS data being stored within backend classes. Different implementations of backend classes can be designed for high performance or low memory footprint.

Contributions

Please the R for Mass Spectrometry code of conduct and contribution guidelines.

rformassspectrometry/Chromatograms documentation built on Nov. 8, 2024, 9:28 p.m.