searchDB: Search in customized database

In MSbox: Mass Spectrometry Tools

Search in customized database

Description

search in customized database based on accurate m/z and RT

Usage

searchDB(DF, DB, ppm = 5, RT = 0.2, useRT = FALSE)

Arguments

DF	input file, should contain at least a column named mz
DB	database, should contain at least a column named mz
ppm	mass tolerance, default 5ppm
RT	retention time tolerance, default 0.2min
useRT	should RT be considered during database search?

Author(s)

Yonghui Dong

Examples

DF <- cbind.data.frame(mz = c(100.001, 100.1), RT = c(10, 11))
DB <- cbind.data.frame(mz = c(100.001, 100.1), RT = c(10, 12.1))
searchDB(DF, DB, ppm = 5, RT = 0.2, useRT = TRUE)

MSbox documentation built on Dec. 8, 2022, 5:10 p.m.