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DESCRIPTION
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DESCRIPTION
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Package: ReSOLUTION
Type: Package
Title: SOLUTIONS for High ReSOLUTION Mass Spectrometry
Version: 0.1.10
Date: 2021-05-19
Authors@R: c(
person(given="Emma L.", family="Schymanski", email="[email protected]", role=c("aut","cre")),
person(given="Michael A.", family="Stravs", email="[email protected]",role=c("ctb")),
person(given="Christoph", family="Ruttkies", role=c("ctb")),
person(given="Erik", family="Mueller", role=c("ctb")),
person(given="Steffen", family="Neumann", role=c("ctb")),
person(given="Tobias", family="Schulze", role=c("ctb")),
person(given="Martin", family="Loos", role=c("ctb")),
person(given="Jennifer E.", family="Schollee", role=c("ctb")),
person(given="Benedikt", family="Lauper", role=c("ctb")),
person(given="Antony J.", family="Williams", role=c("ctb")) )
Author: Emma Schymanski with code/thought contributions from Michael Stravs,
Christoph Ruttkies, Erik Mueller, Steffen Neumann, Tobias Schulze, Martin Loos,
Jennifer Schollee, Benedikt Lauper and Antony J. Williams
Maintainer: Emma Schymanski <[email protected]>
Description: The name ReSOLUTION comes from both high resolution
mass spectrometry data (the basis of the package) and the
SOLUTIONS project under which it was developed. This package
provides workflow functionality for non-target screening with
high resolution mass spectrometry and many functions for
interacting with MetFrag.
Many colleagues contributed snippets, thoughts and ideas;
including those acknowledged as contributors, in individual
functions and beyond. Thank you to all of you.
License: Artistic-2.0
LazyData: TRUE
SystemRequirements: MetFragCL
Depends:
RMassBank,rcdk,rcdklibs,RChemMass,enviPat,OrgMassSpecR,readxl,mzR,nontarget
Suggests:
RMassBankData
Collate:
'EICandMSMS.R'
'MassBankRecordeR.R'
'MS1_functions.R'
'plotMSMS.R'
'nontargetWrap.R'
'SuspectScreening.R'
'MetFragInterpreteR.R'
'MetFragConfigR.R'
'processSDF.R'
'RMB_EIC_prescreen.R'
RoxygenNote: 7.0.0