PeakML.Methods.getPPMWindow: PeakML.Methods.getPPMWindow
In mzmatch.R: mzmatch and PeakML integration for XCMS.

Description Usage Arguments Details Value Author(s) References See Also

View source: R/PeakML.Methods.getPPMWindow.R

Returns the mass window wrt the ppm specified.

1	PeakML.Methods.getPPMWindow(mass, ppm)

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

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.

getPPMWindow returns the mass window wrt to the ppm specified, as a list.

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

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.

PeakML.Methods.getPPMMass

mzmatch.R documentation built on May 31, 2017, 4:31 a.m.