mu_emf_sum: calculate emf sums

In rmflight/metabolomicsUtilities: Provides useful functions for working with metabolomics data

calculate emf sums

Description

For a given set of EMF data, calculates a nominal sum, or a set of weighted sums where the weights are based on the number of C13 incorporations.

Usage

mu_emf_sum(normalized_data, emf, peak_info = NULL)

Arguments

normalized_data	a matrix of normalized intensities
emf	which emf are we working with
peak_info	an optional data.frame of peak information

Details

If 'peak_info' is 'NULL' (not supplied), then the *nominal* sum is returned. If 'peak_info' is supplied, then the weighted sums for each different EMF is returned. Note that the rownames of 'normalized_data' should correspond to the 'PeakID' in 'peak_info', and 'PeakID', 'c13', 'complete_EMF' and 'complete_IMF' must all be present.

Value

A data.frame or list

rmflight/metabolomicsUtilities documentation built on Oct. 28, 2023, 6:41 p.m.