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phnmnl / container-galaxy-k8s-runtime

PhenoMeNal runtime for Galaxy running inside a container orchestrator
Apache License 2.0
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Initial version of mzQuality #225

Closed michaelvanvliet closed 6 years ago

michaelvanvliet commented 6 years ago

The first basic functionality of mzQuality available in the PhenoMeNal Galaxy environment. It includes an updated version of the vendor format converter and a collection of tools to assess the quality of targeted Metabolomics experiments using LC/GC-MS. Tools included are:

rt-shifts: calculates retention time shifts. blank-effect: determines the blank effect (percentage) of each compound. qc-correction: applies qc-correction to the data. qc-rsd: determines RSD QC. is-rsd: determines RSD of the internal standard(s). rep-rsd: determines RSD replicates. export-measurements: as sample/compound matrix. plot-compounds: plots the retention time shifts, area, internal standard, and qc-corrected information of all compounds.

pcm32 commented 6 years ago

You don't want this for the release?

michaelvanvliet commented 6 years ago

@pcm32 Yes, I want this in the release. You mean I should have made a PR to the new release branch? Or is something still wrong?

michaelvanvliet commented 6 years ago

Closing this as it is the same as https://github.com/phnmnl/container-galaxy-k8s-runtime/pull/232 , which will be merged back to the develop branch after the release.

pcm32 commented 6 years ago

No, I didn't mean that there would be anything wrong, only to choose the correct branch to merge to for the release :-).