readStdInfo: Read information of GC injections of standards from a csv...

View source: R/readStdInfo.R

readStdInfoR Documentation

Read information of GC injections of standards from a csv file


The csv contains all information necessary to process a series of injections of standards (GC-MS). Required fields: Name, RTman, monoMW, stdFile, and an identifier such as CAS or ChemspiderID. At the moment, the system is completely based on CAS, although this may change in the future.


readStdInfo(stdInfo, InputDir, sep = "", dec = ".", ...)



Input file in csv format, containing information on standards.


Location of input files.

sep, dec, ...

optional arguments to read.table.


In addition to reading all information on the chemical standards (whcih will eventually be transferred into an in-house database), the function checks whether some input files are unavailable, and whether some data files are not used. In the first case, an error is returned, in the second case a warning.


A data.frame


Ron Wehrens


if (require(metaMSdata)) {
  ## this will lead to the completed version of the R object that is also
  ## available by typing "data(threeStdsInfo)", now containing the
  ## directory information that is not available in the RData object.

  input.file <- list.files(system.file("extdata", package = "metaMSdata"),
                           pattern = "csv", full.names = TRUE)
  threeStdsInfo <- readStdInfo(input.file,
                               system.file("extdata", package = "metaMSdata"),
                               sep = ";", dec = ",")
  ## only one of the files is used to set up the database, the others
  ## are for testing annotation

rwehrens/metaMS documentation built on Feb. 27, 2023, 5:13 a.m.