Man pages for b2slab/mWISE
Untargeted LC-MS data annotation

adducts-funsFunctions to assist adducts and fragments selection
CpdaddPreparationFunction to compute a compound to adduct matrix
diffusion-funsFunctions to apply diffusion in graphs
FellaFella graph for diffusion prioritization
filtering-funsFunctions to apply cluster-based filtering
fitnessoptimization function
fitness.epsoptimization function
graph.RclassRClass graph for diffusion prioritization
graph.Rclass.2levelsRClass (compounds-reactions) graph for diffusion...
Info.AddData frame with adducts/fragments knowledge
KeggDBKEGG database
matching-funsFunctions to match a peak-intensity table to KEGG database
mWISE.annotationFunction to perform the complete annotation pipeline of mWISE
performanceEvaluationFunction to evaluate mWISE performance
sample.datasetSample dataset
sample.graphExample graph from FELLA
sample.keggDBsample KEGG database
b2slab/mWISE documentation built on Feb. 2, 2022, 12:24 a.m.