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And parse things like IONMODE, SMILES, SPECTRUMID etc for spectra.
Ionmode probably has a counterpart in spectra metadata.
SMILES would probably be a user parameter.
Spectrum ID is important too.…
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What do you all think about depending on https://pdfgrep.org and use that to write tool tests?
There are also some python libraries that can do similar things.
The aim is to have more reliable aut…
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Does OpenMS support the deconvolution of sparse labeling C13 or N15 peptide mass spectrum?
I have just looked through the tutorial and haven't found the info about the deconvolution of mass spectra w…
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it should be added, since exectuables require it to run :)
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Let's say you use two FileFilters on the same input in a ZipLoop with different settings and put them in the same Output Folder, the Output Folder node will silently overwrite files with the same file…
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https://abibuilder.informatik.uni-tuebingen.de/archive/openms/Documentation/release/latest/html/pages.html
There are some tools there, which should not be there. Probably they are not categorized c…
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in OpenMS we find code that goes like:
```
MSSpectrum new_spec = old_spec;
new_spec.clear(false);
```
quite often.
What is the best way to rewrite or speed this up?
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See the related issue (#6200) and its comments.
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Dear all,
this may not be a strict issue for OpenMS, I hope you forgive me for asking.
We have two problems.
(1) The first is that we encounter -nan values for the Signal to Noise Ratio colum…
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https://pubs.acs.org/doi/full/10.1021/acs.jproteome.9b00555