Package: RMassBank
Type: Package
Title: Workflow to process tandem MS files and build MassBank records
Version: 1.0.0
Author: Michael Stravs, Emma Schymanski
Maintainer: Michael Stravs, Emma Schymanski <massbank@eawag.ch>
Description: 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.
License: Artistic-2.0
SystemRequirements: OpenBabel
biocViews: Bioinformatics, MassSpectrometry, Metabolomics, Software
Depends: rcdk,yaml,mzR,methods
Imports: XML,RCurl
Suggests: gplots,RMassBankData,xcms
Collate: 'createMassBank.R' 'formulaCalculator.R' 'leCsvAccess.R'
        'leMsMs.r' 'leMsmsRaw.R' 'settings_example.R' 'webAccess.R'
        'deprofile.R' 'RmbWorkspace.R'
Packaged: 2012-10-02 07:54:22 UTC; biocbuild
Built: R 2.15.1; ; 2012-10-02 13:17:23 UTC; windows
