Set feature classes from lipid names

Derives lipid classes from the feature_ids with the Goslin lipid name parser and writes them to feature_class in the feature metadata, the dataset and the QC metrics. For sphingolipids, the class includes the number of oxygens on the sphingoid base (e.g. Cer;O2, SM;O2). Requires the Bioconductor package rgoslin (BiocManager::install("rgoslin")).

Usage

set_lipid_class(data = NULL, overwrite = FALSE)

Arguments

data

A MRMhubExperiment object.

overwrite

Logical. If FALSE (default), only features without a feature_class get one; if TRUE, all classes are replaced. Features whose name cannot be parsed keep their class.

Value

MRMhubExperiment object with updated feature_class.

See also

parse_lipid_feature_names()