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README.md
# Low level infrastructure to handle chromatographic data [![Project Status: Active – The project has reached a stable, usable state and is being actively developed.](https://www.repostatus.org/badges/latest/active.svg)](https://www.repostatus.org/#active) [![R-CMD-check-bioc](https://github.com/RforMassSpectrometry/Chromatograms/workflows/R-CMD-check-bioc/badge.svg)](https://github.com/RforMassSpectrometry/Chromatograms/actions?query=workflow%3AR-CMD-check-bioc) [![codecov](https://codecov.io/gh/rformassspectrometry/Chromatograms/branch/main/graph/badge.svg?token=jy0Mid9gKn)](https://codecov.io/gh/rformassspectrometry/Chromatograms) [![license](https://img.shields.io/badge/license-Artistic--2.0-brightgreen.svg)](https://opensource.org/licenses/Artistic-2.0) This package, part of the [*R for Mass Spectrometry*](https://www.rformassspectrometry.org/) initiative, provides support for handling and analysing chromatographic mass spectrometry (MS) data. It follows the API that is currenlty available in the [`Chromatogram`](http://lgatto.github.io/MSnbase/reference/Chromatogram-class.html) class in the [`MSnbase`](http://lgatto.github.io/MSnbase/index.html) package, with support for different *backends* to provide/represent the data, similar to the [`Spectra`](https://rformassspectrometry.github.io/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. The existing backend classes are: - `ChromBackendMemory`: a memory-based backend, storing the data in memory. This is the default backend and is used for testing purposes. - The `ChromBackendMzR` inherits all slots and methods from the base `ChromBackendMemory` backend, providing additional functionality for reading chromatographic data from mzML files. - `ChromBackendSpectra`: The `ChromBackendSpectra` inherits all slots and methods from the base `ChromBackendMemory` backend, providing additional functionality for reading chromatographic data from `Spectra` objects. These backend are then handled on a user level by the `Chromatograms` class, which provides a unified interface to access and manipulate the chromatographic data. ## Installation ``` install.packages("BiocManager") BiocManager::install("Chromatograms") ``` ## Contributions Please the *R for Mass Spectrometry* [code of conduct](https://rformassspectrometry.github.io/RforMassSpectrometry/articles/RforMassSpectrometry.html#code-of-conduct) and [contribution guidelines](https://rformassspectrometry.github.io/RforMassSpectrometry/articles/RforMassSpectrometry.html#contributions).