targetExtraction.optimized: Title Targeted extraction from untargeted metabolomics data...

View source: R/targetExtraction.optimized.R

targetExtraction.optimizedR Documentation

Title Targeted extraction from untargeted metabolomics data by using the screen result of dbImporter

Description

Title Targeted extraction from untargeted metabolomics data by using the screen result of dbImporter

Usage

targetExtraction.optimized(
  msRawData,
  dbData,
  deltaMZ,
  deltaTR,
  trRange = 30,
  m = 200
)

Arguments

msRawData,

the MS data which have a XCMS-support filetype (such as mzXML)

dbData,

the metabolomics database which first processed by dbImporter

deltaMZ,

the m/z tolerence of MS1 between database and raw data

deltaTR,

the retention time tolerence of MS1 between database and raw data

trRange

retention time range for extraction.

m

parameter of peak detection.

Value

targExtracRes

Examples

load(system.file("extdata/testData", "dbDataTest.rda", package = "MetEx"))
targExtracRes <- targetExtraction.optimized(
                 msRawData = system.file("extdata/mzXML", "example.mzXML", package = "MetEx"),
                 dbData = dbDataTest,
                 deltaMZ=0.01,
                 deltaTR=60)

zhengfj1994/MetEx documentation built on Nov. 19, 2023, 1:34 p.m.