PeakML.Methods.writeGroupAnnotations: PeakML.Methods.writeGroupAnnotations

In andzajan/mzmatch.R: mzmatch and PeakML integration for XCMS.

Description

This function allows to write group annotations (identificaton, relation ship etc) which are defined in PeakML file.

Usage

  PeakML.Methods.writeGroupAnnotations (project, GroupAnnotations)

Arguments

project	The filename for the PeakML file. The path leading up to this file needs to exist, otherwise the function will fail. If filenames is provided PeakMLtree argument will be igonred, and XML tree created from given peakml file.
GroupAnnotations	List of annotations which should be written to PeakML file. List names should contain annotation names. And each list should contain a vector of the length equal to number of peak groups. NA values should be used if annotation is not present in given group.

Details

The PeakML file format defines an open and extensible file format for storing extracted hyphenated mass spectrometry data. As such, the format will enable users to store intermediate data in a structured manner, but more importantly, to exchange data between different data analysis software. This will give complete flexible control to the users of data analysis software to cherry pick those components best suited to their needs.

Value

No value is returned.

Author(s)

Andris Jankevics ([e-mail]) Richard Scheltema ([e-mail])

References

PeakML/mzMatch: A File Format, Java Library, R Library, and Tool-Chain for Mass Spectrometry Data Analysis, Richard A. Scheltema, Andris Jankevics, Ritsert C. Jansen, Morris A. Swertz, Rainer Breitling, Analytical Chemistry, 2011 83 (7), 2786-2793.

See Also

PeakML.Methods.getGroupAnnotations

andzajan/mzmatch.R documentation built on Dec. 1, 2020, 11:33 a.m.