Glossary

assay

A collection of samples measured in experimental conditions.

aggregated descriptor

A value obtained from aggregating the value of a descriptor using all features in a group. e.g. the feature group m/z is the average value of all features m/z in the group.

consensus annotation

the process of combining the annotation of features in a group into a single annotation

DBSCAN

Density-based spatial clustering of applications with noise.

data matrix

A table containing extracted data from chemical species in wide format, i.e., each row of the matrix is associated with a sample and each column is associated with a feature group

envelope

A collection of isotopologues features.

EIC

Extracted Ion Chromatograms

feature

A ROI subregion associated with a chemical species in a sample

feature descriptor

A numeric property that describes a feature. For example, peak area or peak width.

feature group

A collection of features detected in different samples associated with the same chemical identity.

feature matching

An algorithm that assigns a feature group to features based on their chemical identity.

LC-MS

Liquid Chromatography coupled to Mass spectrometry.

m/z

Mass to charge ratio

ROI

Region of Interest. A region extracted from a raw data file which may contain features.

Rt

The retention time of a chromatographic peak

sample

And individual experimental measurement

sample group

a label that group samples by a subject characteristic. e.g. healthy, disease, etc…

sample type

a label that groups samples by a sample characteristic. e.g. subject, QA, blank, etc…

SNR

signal-to-noise ratio