cliqueMS: 'cliqueMS' annotates isotopes and adducts in m/z data

Description

Description

'cliqueMS' first separates features in the data into different groups. To do this it computes a similarity weighted network from the data, and searches clique groups. This cliques are fully connected components that have higher similarity in inner edges than edges outside cliques.

Once clique groups are computed, annotation of isotopes is first performed. After isotope annotation, adducts are annotated within each group


osenan/cliqueMS documentation built on Aug. 6, 2020, 5:52 a.m.