exportMetaboAnalyst: Export data for use in MetaboAnalyst
In sneumann/xcms: LC-MS and GC-MS Data Analysis

exportMetaboAnalyst

R Documentation

Export data for use in MetaboAnalyst

Export the feature table for further analysis in the MetaboAnalyst software (or the MetaboAnalystR R package).

exportMetaboAnalyst(
  x,
  file = NULL,
  label,
  value = "into",
  digits = NULL,
  groupnames = FALSE,
  ...
)

`x`	XCMSnExp object with identified chromatographic peaks grouped across samples.
`file`	`character(1)` defining the file name. If not specified, the `matrix` with the content is returned.
`label`	either `character(1)` specifying the phenodata column in `x` defining the sample grouping or a vector with the same length than samples in `x` defining the group assignment of the samples.
`value`	`character(1)` specifying the value to be returned for each feature. See `featureValues()` for more details.
`digits`	`integer(1)` defining the number of significant digits to be used for numeric. The default `NULL` uses `getOption("digits")`. See `format()` for more information.
`groupnames`	`logical(1)` whether row names of the resulting matrix should be the feature IDs (`groupnames = FALSE`; default) or IDs that are composed of the m/z and retention time of the features (in the format `⁠M<m/z>T<rt>⁠` (`groupnames = TRUE`). See help of the groupnames function for details.
`...`	additional parameters to be passed to the `featureValues()` function.