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W: M/z feature detection (multi-dataset)

Brief description

Detect peaks in average mass spectrum of all datasets. A single set of peaks will be generated for all datasets which can be compared.

Parameters

Spectrum source (type - string)

Source of the mass spectra.

Method (type - string)

Peak picking method.

m/z min (type - number)

Minimum m/z.

m/z max (type - number)

Maximum m/z.

Automatic SNR (type - boolean)

Automatically determine SNR value which will use knee-based method to estimate appropriate SNR. This will also override the 'Min. peaks' parameter.

Centwave SNR (type - boolean)

Use the CentWave method to estimate SNR. This might produce fewer peaks but they should be of higher quality.

SNR (type - number)

Signal-to-noise.

Threshold (type - number)

Threshold for peak detection.

Max. number of peaks (type - integer)

Maximum number of peaks to detect. If 'value=0' then all peaks will be detected.

Deisotope (type - boolean)

Deisotope spectra.

Filename (type - string)

Filename to use for the object.

Dependencies (other tasks that this task might depend on)

Depends on Required/Optional
P: Average mass spectrum (single-dataset) required
W: Average mass spectrum / mask (single-dataset) required
W: Average mass spectrum / cluster (single-dataset) required

Dependents (tasks that might depend on this task)

Dependants Required/Optional
W: Extract ion centroids (single/multi-dataset) optional
W: Extract ion centroids (subset-project) optional
W: Compute quality control metrics (multi-dataset) optional
W: Group statistics of mass spectra (multi-dataset) optional

Attributes

Attribute Value Description
Multiple allowed True Allow multiple instances of this task in a workflow.
Task can fail False Task is optional and can fail without causing the entire workflow to fail.
Step can fail True Sub-tasks of this task can fail without causing the entire task (and workflow) to fail.
Requires ion mobility False Task requires ion mobility data.
Task can fail (with ion mobility) False This task uses ion mobility data but it is allowed to fail, without causing the entire workflow to fail.
Allowed in reference dataset True Task is to be performed on a 'reference' dataset. This will allow for multiple analyses to be performed on the same dataset, without cluttering or duplicating certain tasks (unused at the moment).