Julianus Pfeuffer

probably something was missed during the release. would be cool to integrate this into the release jobs. see my comments in #7210

OpenMS assumes strict hierarchy of MS levels in mzML?

7

It seems to me that IsobaricAnalyzer ignores precursor annotations in mzMLs and only works with the last spectrum up one level. At least in my data I don't think this...

[FEATURE][PYOMS] try adding some wrapnogil

4

## Description adds some nogil to mzml loading and storing. Let's see what autowrap does. Related to #6754 ## Checklist - [ ] Make sure that you are listed in...

[FFID][tweak] thoughts on settings/scores

15

Added some thoughts on improvements with settings and scores. TODO check ElutionModelFitter at the end of FFID regarding imputation/regression of intensities for unfittable features in low concentration environments. ## Description...

IsobaricQuantifier MS2/3 error handling

5

If you specify "select_activation" to e.g. CID but you are using an SPS MS3 TMT experiment where all MS3 scans are beamtype CID, you will just get non-sense results because...

Update Comet and support all our enzymes

2

There is a new Comet version http://comet-ms.sourceforge.net/ with many fixes and a few new features, including mzID support. Unfortunately no PTM yet. And we should finally add all of our...

This is an issue to collect problems with mzTab for TMT issues: - [ ] The search engine in the peptide section is not written (null), the score is fine...

singularity in docker <23.0.0: Requesting capability set 0x000001ffffffffff while permitted capability set is 0x0000003fffffffff

6

**Version of Singularity** What version of Singularity are you using? 3.11.0 on GitHub Actions using the following Dockerfile: https://github.com/singularityhub/singularity-docker/blob/v3.11.0/Dockerfile **Describe the bug** see title. **To Reproduce** Steps to reproduce the...