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OpenMS Documentation.
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Glossary definitions required for: mass traces, features, feature maps and consensus maps #102

Open greengypsy opened 2 years ago

greengypsy commented 2 years ago

Definitions are required for the terms listed in the issue title.

axelwalter commented 2 years ago

Some ideas for the definitions, adopted from your previous suggestions:

Mass Trace: A mass trace contains peaks similar in mass-to-charge moving along retention time.

Feature: A LC-MS feature represents the combined isotopic mass traces of a detected chemical compound. The chromatographic peak shape of a feature is defined by the interaction of the analyte with the LC column. Each feature contains information on retention time, mass-to-charge ratio, intensity and overall quality.

FeatureMap: A feature map is a container for features. One feature map can contain many features.

ConsensusMap: Contains information on features from different samples. Features with similar retention time and mass-to-charge values get linked and are considered a ConsensusFeature. The ConsensusFeature contains information on the common retention-time and mass-to-charge values as well as the intensities from each sample.

axelwalter commented 2 years ago

Perhaps the figure in this tutorial could be helpful as context: https://pyopenms.readthedocs.io/en/latest/metabolomics_preprocessing.html