unique_mf_assignment: Unique Molecular Formula Assignment

View source: R/unique_mf_assignment.R

unique_mf_assignmentR Documentation

Unique Molecular Formula Assignment

Description

Takes an object of class 'CoreMSData' and assigns unique molecular formulas to each peak within each sample

Usage

unique_mf_assignment(cmsObj, method)

Arguments

cmsObj

CoreMSData object, output of functions read_CoreMS_data and as.CoreMSData

method

Must be either "confidence", "peak_intensity", or "prevalence". Selects formula corresponding to highest confidence score, peak height, or prevalence across samples, respectively.

Value

CoreMSData object

Author(s)

Natalie Winans


EMSL-Computing/fticRanalysis documentation built on Dec. 18, 2024, 9:51 p.m.