searchMS2: Search MS2 spectrum from sqlite database

Description Usage Arguments Value Author(s)

View source: R/searchMS2.R

Description

search MS2 spetra from the database. Ranking is based on the distance metric that defined by Cao et al. 2008, cosine and Tanimoto similarity.

Usage

1
searchMS2(querySpec, premz, dbname = "mzDB.db", scoreFun = "distMS2", output.record = 5, plot.top = TRUE)

Arguments

querySpec

query spectrum in 2-col matrix

premz

precursor m/z that query spectrum derived from

dbname

database name

scoreFun

score function, 'distMS2','cos' or 'tanimoto'

output.record

the number of records shown in console

plot.top

plot query spectrum and the top-ranked spectrum

Value

return top records

Author(s)

Mingshu Cao


iontree documentation built on May 2, 2018, 2:55 a.m.