RECETOX / galaxytools

Set of Galaxy tool wrappers developed at RECETOX
MIT License
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MsQuality: new tool #529

Open hechth opened 2 months ago

hechth commented 2 months ago

The tool is already on bioconductor and with that also already on biconda: https://bioconductor.org/packages/release/bioc/html/MsQuality.html

A tutorial on how to use the package is available here: https://bioconductor.org/packages/release/bioc/vignettes/MsQuality/inst/doc/MsQuality.html

In an initial step, we need to figure out which metrics don't require parameters as these should be used by default. The additional metrics could then be added as separate parameters or so: https://bioconductor.org/packages/release/bioc/vignettes/MsQuality/inst/doc/MsQuality.html#4_Calculating_the_quality_metrics_on_Spectra_and_MsExperiment_objects

The output should be a table with the metrics as rows/columns and the samples as columns/rows. It should be checked whether the tool can take a collection and output a single table for the collection. This can then be visualized as a normal scatterplot in Galaxy.