To install this package, start R and enter:

## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("RMassBank")

In most cases, you don't need to download the package archive at all.

RMassBank

This package is for version 2.12 of Bioconductor; for the stable, up-to-date release version, see RMassBank.

Workflow to process tandem MS files and build MassBank records

Bioconductor version: 2.12

Workflow to process tandem MS files and build MassBank records. Functions include automated extraction of tandem MS spectra, formula assignment to tandem MS fragments, recalibration of tandem MS spectra with assigned fragments, spectrum cleanup, automated retrieval of compound information from Internet databases, and export to MassBank records.

Author: Michael Stravs, Emma Schymanski

Maintainer: Michael Stravs, Emma Schymanski <massbank at eawag.ch>

Citation (from within R, enter citation("RMassBank")):

Installation

To install this package, start R and enter:

## try http:// if https:// URLs are not supported
source("https://bioconductor.org/biocLite.R")
biocLite("RMassBank")

Documentation

To view documentation for the version of this package installed in your system, start R and enter:

browseVignettes("RMassBank")

PDF	R Script	RMassBank walkthrough
PDF		Reference Manual

Details

biocViews	Bioinformatics, MassSpectrometry, Metabolomics, Software
Version	1.2.1
In Bioconductor since	BioC 2.11 (R-2.15) (3.5 years)
License	Artistic-2.0
Depends	rcdk, yaml, mzR, methods, rjson
Imports	XML, RCurl
LinkingTo
Suggests	gplots, RMassBankData, xcms
SystemRequirements	OpenBabel
Enhances
URL
Depends On Me
Imports Me
Suggests Me	RMassBankData
Build Report

Package Archives

Follow Installation instructions to use this package in your R session.

Package Source	RMassBank_1.2.1.tar.gz
Windows Binary	RMassBank_1.2.1.zip
Mac OS X 10.6 (Snow Leopard)	RMassBank_1.2.1.tgz
Subversion source	(username/password: readonly)
Git source	https://github.com/Bioconductor-mirror/RMassBank/tree/release-2.12
Package Short Url	http://bioconductor.org/packages/RMassBank/
Package Downloads Report	Download Stats

Documentation »

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