clust: Clustering for MS peaks based on mz or RT.

In LipidMS: Lipid Annotation for LC-MS/MS DDA or DIA Data

Clustering for MS peaks based on mz or RT.

Description

Clustering for MS peaks based on mz or RT.

Usage

clust(values, mins, maxs, samples, unique.samples, maxdist, ppm)

Arguments

values	values to clusterize (mz or RT).
mins	lower bound for each value.
maxs	higher bound for each value.
samples	numeric vector that indicates to which sample each value belongs.
unique.samples	logical. FALSE if several measures from the same sample can be clusterized together.
maxdist	maximum distance allowed within a cluster.
ppm	logical. TRUE if maxdist is given in ppm.

Value

numeric vector with the assigned clusters

Author(s)

M Isabel Alcoriza-Balaguer <[e-mail]>

LipidMS documentation built on May 29, 2024, 11:24 a.m.