Hannes Roest

> Therefore, the reconciliation service first searches for items with this identifier, finds none, so it falls back on normal search without the identifier. The five first items have the...

> And after this, it now can import regularly? yes, that is correct. > IIRC the only change we make to the .so files when vendoring them is to use...

I dont think I understand how `formula_str_cache` works, it seems it does not get populated, ever? It seems to also not work in the current `develop` as far as I...

> Good find. I am a bit surprised that this happens. @timosachsenberg its currently an integral part of the algorithm, it looks for peaks that have a smaller peak on...

this is recording Bruker timsTOF data in *profile mode* but there is preprocessing going on, directly on the instrument leading to this data. This is not centroid mode, this is...

Errors on Windows: ``` Test Result (3 failures / +3) projectroot.src.tests.topp.TOPP_PeakPickerWavelet_1_out1 projectroot.src.tests.topp.TOPP_PeakPickerWavelet_4_out1 projectroot.src.tests.topp.TOPP_PeakPickerWavelet_2_out1 ``` for example ``` in1: C:\jenkins\ws\openms_pr_ci\031d6063\build\src\tests\topp\PeakPickerWavelet_1.tmp (line: 197, position/column: 46/89) iMbPV5an7j8v7rKGoufvP9J45Q77Uu8/! eEJ35ZyU7z8= in2: C:\jenkins\ws\openms_pr_ci\031d6063\source\src\tests\topp\PeakPickerWavelet_output.mzML (line: 197, position/column:...

I recently worked on unknown masses to get it to work at least inside OpenMS, so this should be supported from the OpenMS side at least: #2530

maybe we should remove matching against non-unimod by defauly alltogether?

just to add another perspective, we also support non-unimod and user-defined mods in other formats, there is also a call `bool ResidueModification::isUserDefined()` to check for this. I suggest due to...

@timosachsenberg no, I think that would not work because then Glucose would be `C6H12O6` and with this `EmpiricalFormula` would assume *all* carbons are C12 and there would be no isotopic...