R: PeakML.Methods.getPPMMass

PeakML.Methods.getPPMMass {mzmatch.R}

R Documentation

PeakML.Methods.getPPMMass

Description

Returns the ppm wrt mass specified.

Usage

	PeakML.Methods.getPPMMass(mass, ppm)

Arguments

`mass`	The mass of the compound, eg., 79.2 .
`ppm`	The ppm value. eg., 2 .

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. The PeakML.Methods contains a set of R functions that will enable end users to rapidly write scripts to manipulate PeakML files.

Value

getPPMMass returns the ppm wrt to the mass specified, numeric value.

Author(s)

Achuthanuni Chokkathukalam (unni.chokkathukalam@glasgow.ac.uk) Andris Jankevics (a.jankevics@rug.nl)

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.