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mpc-bioinformatics / McQuaC

Transform the Quality Control workflow from Knime into a workflow in Nextflow
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Initial Documentation of Parameters and update of the header extraction for Bruker files #45

Closed Luxxii closed 5 months ago

Luxxii commented 7 months ago

This addresses #35 and #37.

In the folder docu a parameter documentation file was created, listing all usable parameters.

This list mostly consists of input and output parameters.

We could use this repository to also update default values, which are net set correctly. They are currently annotated in the parameter documentation via ? and TODO

Additionally, i updated the bruker header extraction mechanism, which names the columns similar to the THERMO-Convention which is already used.

Luxxii commented 7 months ago

All have been updated to the correct name. In get_custom_columns_from_file_directly.nf i changed the name to raw_spectra, since both bruker and thermo can be added here.