adduct.isotope.annotation: CAMERA Annotation

In HuanLab/JPA:

CAMERA Annotation

Description

Performs CAMERA adduct and isotope annotation analysis.

Usage

adduct.isotope.annotation(featureTable, data, polarity)

Arguments

featureTable	Feature table dataframe generated in previous steps.
data	"MSdata" object generated in previous steps.
polarity	Polarity of the analysis, either "positive" or "negative"

Details

CAMERA annotation can only be used for single-sample analysis.

Value

Returns the input feature table with additional columns containing adduct and isotope annotation.

Author(s)

Sam Shen, Jian Guo, Tao Huan

Examples

library(IPA)
dir = "X:/Users/Sam_Shen/IPAtest_20210330/singleDDA"
featureTable <- peak.picking(dir = dir, mz.tol = 10, ppm=10, peakwidth=c(5,20), mzdiff = 0.01,
                             snthresh = 6, integrate = 1, prefilter = c(3,100), noise = 100)
featureTable <- find.level3features(data = MSdata)
featureTable <- adduct.isotope.annotation(featureTable = featureTable, data = MSdata, polarity = "negative")

HuanLab/JPA documentation built on April 14, 2023, 12:53 p.m.