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This issue is intended to discuss and collect how we can transition to the novel ID data structure.
Eventually, we will have some replacement for the quant. data structures as well but it is unrealis…
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I have a dataset consisting of 43 cancer samples. TRIC runs fine for a few minutes, then stops with an unclear error message. Running the realignment with just 3 of the samples in the dataset as a sma…
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`cdef extern` gives Cython access to existing C/C++ libraries. To provide Python-level access generally requires the user to write a wrapper in Cython. For functions and enums Cython can automatically…
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- [x] (Update pwiz in thirdparty) -> not done
- [x] (Update pwiz in conda recipe) -> not done
- [ ] Check requirements of pwiz (ALL .NET and VCRedists). IMHO just .NET4. @timosachsenberg double-che…
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Hello,
This is somewhat related to #5232. FFM now reports the peak intensity through the `max_intensity` output param. I would like to use this value for e.g. plotting purposes, so it would make mo…
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For some users a MySQL database might be a little to demanding (see also https://github.com/sneumann/xcms/issues/534). Would be nice to provide the MassBank data in addition as an SQLite database. Thi…
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I noticed that OpenMS misses to correctly group some isotpe and adduct peaks.
This is based on FeatureFindingMetabo and MetaboliteFeatureDeconvolution.
In my opinion, the computation of the overla…
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Should be an easy fix but I'm not sure how you want to handle it.
`SiriusAdapter ... -sirius:database custom ...`
(output from Sirius via SiriusAdapter)
SEVERE14:22:17 - Unknown database 'custom'…
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If someone has time to do this it would be so cool...
In the log of the github action which install workflows on usegalaxy.* there are some important lines:
```
# usegalaxy.org
ERROR:root:Error im…
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### Checklist
- [X] I have searched the [existing issues](https://github.com/streamlit/streamlit/issues) for similar issues.
- [X] I added a very descriptive title to this issue.
- [X] I have pro…