PeakML.Isotope.getMassWindow: PeakML.Isotope.getMassWindow

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

Description

This function will return mass window of the isotope of the given mass.

Usage

1
	PeakML.Isotope.getMassWindow(mass, nIsotope, ppm, element)

Arguments

mass

Unlabelled mass of the compound.

nIsotope

The isotope of interest.

ppm

The ppm window required.

element

The element whose isotopes has to be calculated.

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

PeakML.Isotope.getMassWindow, returns mass window of the isotope of the given mass, as a list.

Author(s)

Achuthanuni Chokkathukalam ([email protected]) Andris Jankevics ([email protected])

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.Isotope.getMassWindow


andzajan/mzmatch.R documentation built on May 28, 2019, 4:57 p.m.