Other Detector Workflow Glossary¶

Trace¶

A trace or chromatogram refers to paired 2D (x-y) data acquired from another detector, e.g. the intensity/absorption vs. retention time from an UV or DAD detector.

Trace type¶

There are three types of traces in mzmine's Other detector workflow. Raw traces, Preprocessed traces, and Features.

Raw trace¶

The raw trace as acquired from the detector, without any alterations such as binning, smoothing, baseline correction, or shifting.

Preprocessed trace¶

A preprocessed state of the data from a non-MS detector. In this state, a varying number of preprocessing steps has been applied (binning, smoothing, baseline correction, or shifting...). There is only a single preprocessed trace per raw trace at a time. Most other detector processing modules work on the preprocessed trace by default. In case there is no preprocessed trace, mzmine will fall back to the raw trace.

Features¶

A feature is a specific peak in a trace/chromatogram.

Trace selection parameter¶

This parameter is used throughout the workflow for processing data from other detectors to select the traces that are being processed.

Info

Typically, it is not necessary to select all existing traces here, but only the ones you want to correlate with the MS, e.g., the UV (=Absorption) traces.

Chromatogram type Specify the type of chromatogram you want to process. Usually, specifying this is enough.

Range unit filter (Uncommon) filter the traces of the selected chromatogram type to only have a specific unit on the range axis to be affected by this filter. Use * as a wildcard (match any character)

Range label filter (Uncommon) filter the traces of the selected chromatogram type to only have a specific label on the range axis to be affected by this filter. Use * as a wildcard (match any character)

Description filter (Uncommon) filter the traces of the selected chromatogram type to only have a specific description (=name) to be affected by this filter. Use * as a wildcard (match any character)

Trace type Specify the trace type to be used as input for this module.