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enviGCMS (version 0.7.1)

getalign: Align two peaks vectors by mass to charge ratio and/or retention time

Description

Align two peaks vectors by mass to charge ratio and/or retention time

Usage

getalign(mz1, mz2, rt1 = NULL, rt2 = NULL, ppm = 10, deltart = 10)

Value

data frame with aligned peaks table

Arguments

mz1

the mass to charge of reference peaks

mz2

the mass to charge of peaks to be aligned

rt1

retention time of reference peaks

rt2

retention time of peaks to be aligned

ppm

mass accuracy, default 10

deltart

retention time shift table, default 10 seconds

Examples

Run this code
mz1 <- c(221.1171, 227.1390, 229.1546, 233.1497, 271.0790 )
mz2 <- c(282.279, 281.113, 227.139, 227.139, 302.207)
rt1 <- c(590.8710, 251.3820, 102.9230, 85.8850, 313.8240)
rt2 <- c(787.08, 160.02, 251.76, 251.76, 220.26)
getalign(mz1,mz2,rt1,rt2)

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