known_metabolites: Known metabolites in the dataset

In sipss/AlpsLCMS: Signal processing of LC-MS metabolomics

Description

The function compares retention time and mass of metabolites contained in a given template with features in the feature table.

Usage

known_metabolites(feature_table_complete, metabolites)

Arguments

feature_table_complete	A dataframe containing feature in rows and samples in columns. First, second and third columns need to be the feature ID, mass and retention time (min). column needs
metabolites	A dataframe with metabolites containing a "mz" (mass) and "rt" (retention time in min) columns.

Value

The same feature table with an extra column with matched metabolites

Examples

## Not run: 
FT <- known_metabolites(feature_table_complete, metabolites)
head(FT)

## End(Not run)

sipss/AlpsLCMS documentation built on May 13, 2021, 6:18 p.m.