writeMzTab: Save a grouped xcmsSet object in mzTab-1.1 format file

In sneumann/xcms: LC-MS and GC-MS Data Analysis

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")

sneumann/xcms documentation built on Nov. 23, 2024, 6:53 p.m.