writeMzTab {xcms} | R Documentation

## Save a grouped xcmsSet object in mzTab-1.1 format file

### Description

Write the grouped xcmsSet to an mzTab file.

### Arguments

`object` | the `xcmsSet` object
`filename` | filename (may include full path) for the mzTab file. Pipes or URLs are not allowed.

### Details

The mzTab file format for MS-based metabolomics (and proteomics) is a lightweight supplement to the existing standard XML-based file formats (mzML, mzIdentML, mzQuantML), providing a comprehensive summary, similar in concept to the supplemental material of a scientific publication. mzTab files from xcms contain small molecule sections together with experimental metadata and basic quantitative information. The format is intended to store a simple summary of the final results.

### Value

None.

### Usage

object = "xcmsSet"

  `writeMzTab(object, filename)`

### See Also

`xcmsSet-class`, `xcmsSet`,

### Examples

        library(faahKO)
        xs <- group(faahko)

        mzt <- data.frame(character(0))
        mzt <- xcms:::mzTabHeader(mzt,
                           version="1.1.0", mode="Complete", type="Quantification",
                           description="faahKO",
                           xset=xs)
        mzt <- xcms:::mzTabAddSME(mzt, xs)

        xcms:::writeMzTab(mzt, "faahKO.mzTab")

[Package xcms version 3.16.1 Index]