MAIT (version 1.6.0)

metaboliteTable: Metabolite table generator

Description

Takes a MAIT-class object and builds a table with the information related to the significant features and their possible identifications.

Usage

metaboliteTable(MAIT.object, printCSVfile = FALSE)

Arguments

MAIT.object

A MAIT-class object where significant features have already been found.

printCSVfile

A boolean parameter. Set to TRUE if a csv file should be written with the metabolite table.

Value

An output table is stored in the folder (working directory)/Tables/SearchTable.csv having the fields:

• First column: search ID number.
• Second column (mz): Peak mass.
• Third column(rt): Peak retention time (in minutes).
• The columns from the third to the column labeled "p.adj" contain number of class samples where the peak has been detected and the intensities of the peak among samples.
• The P.adjust column contains the corrected peak p-value using bonferroni.
• The p column shows the peak p-value with no multiple test correction.
• The Fisher column shows the FIsher test results for the peak. Each of the letters separated by the character "_" corresponds to a class value. Classes having the same letters are indistinguible whereas those having different letters are statistically different clases.
• The isotopes column shows if the peak has been identified as a possible isotope.
• The adduct column shows which kind of adduct or biotransformation could the peak be.
• Column Name contains the name of the possible metabolite identification for the peak.
• The column labeled spectra contains the spectral ID of the peak.
• Column Biofluid shows if the identified search is stored as a biofluid in the input database or not.
• The column ENTRY shows the database name of the entry for the metabolite.

See Also

identifyMetabolites spectralAnova spectralTStudent

Examples

data(MAIT_sample)
MAIT<-spectralSigFeatures(MAIT,p.adj="fdr",parametric=TRUE)
MAIT<-Biotransformations(MAIT.object = MAIT, peakPrecision = 0.005)
MAIT <- identifyMetabolites(MAIT.object = MAIT, peakTolerance = 0.005,polarity="positive")
head(metaboliteTable(MAIT))