writeMzTab {xcms} | R Documentation |
Write the grouped xcmsSet to an mzTab file.
object |
the |
filename |
filename (may include full path) for the mzTab file. Pipes or URLs are not allowed. |
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.
None.
writeMzTab(object, filename)
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")