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For the OpenMS->Galaxy project I'm trying to come up with tests for those tools that currently miss a a test in this repo. So far I have this:
https://github.com/galaxyproteomics/tools-galaxyp/blo…
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@timosachsenberg , Oliver said you might have some Galaxy workflows that used the output of CTDConverter?
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## 🤔 Tell Us About the Feature
@nutjob4life on the Data Submission form please add the following to the Discipline field:
- Metabolomics
- Other
Remove - Undefined
Add a new field to captur…
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Some of our references were explicitly to websites. We need to have those links.
Also, it would be great to have DOI or article links in the bibliography.
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**Describe the problem you encountered**
I simulated a LC-MS data from a compound and analyze it using pyopenms through Untargeted Metabolomics Pre-Processing pipline. But I can not get the expected …
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Error executing process > 'pipeline_16S:DOWNLOAD_SILVA_FOR_MOTHUR (nr)'
Caused by:
Process `pipeline_16S:DOWNLOAD_SILVA_FOR_MOTHUR (nr)` terminated with an error exit status (1)
Command execu…
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There are ~1,500 ensemble IDs that are not accepted by the prep tool right now we need to figure out what is the problem.
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Hi @nilshoffmann @sneumann - we're having some difficult time to export *valid* mzTab-M files from `xcms`. Basically, we're not having any identification data and thus the *small molecule summary* (SM…
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There are many file types that are commonly used for large sets of metabolites or other compounds. BioPAX, Octave, SciLab, XML are just a few. It would be great to support all of these formats.
Moreo…
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As part of the Berekeley refactoring, the new MassSpectrometry class will require a migration from `DataGeneration`/`OmicsProcessing` to `MassSpectrometry`. This will require both a migration and an i…