Probabilistic annotation of LC-MS based metabolomics


Documentation for package ‘ProbMetab’ version 1.0

Help Pages

build.database.kegg build.database.kegg
combineMolIon combineMolIon
comp.results comp.results
create.pathway.node.attributes create.pathway.node.attributes
create.reaction.edge.attributes create.reaction.edge.attributes
create.reactionM create.reactionM
createJSONToCytoscape createJSONToCytoscape
createXGMML createXGMML
design.connection design.connection
export.class.table export.class.table
export2cytoscape export2cytoscape
formula2mass formula2mass
get.annot get.annot
get.compounds.by.pathway.biocyc get.compounds.by.pathway.biocyc
get.formula.kegg get.formula.kegg
get.kegg.pathways get.kegg.pathways
get.kgml.positions.kegg get.kgml.positions.kegg
get.Mzmatch.annot get.Mzmatch.annot
get.name get.name
get.ncbi.id get.ncbi.id
get.pathway.by.compound.kegg get.pathway.by.compound.kegg
get.pathway.by.organism.biocyc get.pathway.by.organism.biocyc
get.pathway.by.organism.kegg get.pathway.by.organism.kegg
get.reactions.by.compound.biocyc get.reactions.by.compound.biocyc
gibbs.samp gibbs.samp
incorporate.isotopes incorporate.isotopes
KEGGcpds Compounds of KEGG database
NIST_relative_atomic_mass Most abundant atomic mass From NIST database.
openGraph openGraph
RCreateDataFrame RCreateDataFrame
reac2cor reac2cor
rt.predict rt.predict
sbml2table sbml2table
weightM weightM
weightRT weightRT