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

In zhengfj1994/MeTEA: Targeted extraction from untargeted metabolomics dataset by using metabolomics database

Description

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

Usage

targetExtraction.parallel(
  msRawData,
  dbData,
  deltaMZ,
  deltaTR,
  trRange = 30,
  m = 200,
  cores = 4
)

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.
cores	CPU cores for computing.

Value

targExtracRes

Examples

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

zhengfj1994/MeTEA documentation built on June 29, 2021, 5:21 a.m.