reduce: Reduce an analysis by removing isotopic, adduct or unknown...

Description Usage Arguments Details Value Examples

Description

Reduce an analysis by removing isotopic, adduct or unknown features.

Usage

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reduce(x, isotopes = TRUE, adducts = TRUE, unknowns = FALSE)

## S4 method for signature 'Analysis'
reduce(x, isotopes = TRUE, adducts = TRUE, unknowns = FALSE)

## S4 method for signature 'AnalysisData'
reduce(x, isotopes = TRUE, adducts = TRUE, unknowns = FALSE)

Arguments

x

S4 class of class Analysis or AnalysisData

isotopes

TRUE/FALSE remove isotopic features.

adducts

TRUE/FALSE remove multiple adduct features.

unknowns

TRUE/FALSE remove unassigned features.

Details

Isotope and adduct features are filtered based on the maximum intensity peak for each molecular formulas.

Value

S4 object of class Analysis or AnalysisData with features reduced

Examples

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library(MFassign)

## Assign molecular formulas
p <- assignmentParameters('FIE')

assignment <- assignMFs(peakData,p)

## Retrieve assigned data
assigned_data <- metabolyseR::analysisData(
 assignedData(assignment),
 tibble::tibble(sample = seq_len(nrow(peakData)))
 )

reduced_data <- metaboMisc::reduce(assigned_data)

reduced_data

jasenfinch/metaboMisc documentation built on Feb. 10, 2022, 4:22 p.m.