Save a grouped xcmsSet object in mzTab-1.1 format file

Write the grouped xcmsSet to an mzTab file.

Usage

object = "xcmsSet": writeMzTab(object, filename)

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.

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")