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Hi OpenMS team,
@abisarvepalli @mwang87 We are facing an issue with the MapAlignerPoseClustering when processing one thousands LC-MS/MS data of metabolomics experiment (non-targeted). I tried diffe…
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Hi, the 6.4. Small Molecule Feature (SMF) Section (https://hupo-psi.github.io/mzTab/2_0-metabolomics-draft/mzTab_format_specification_2_0-M_draft.html#small-molecule-feature-smf-section)
of the mzTab…
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Hello, I was trying to cluster mzXML files from https://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=88a7dfeeecb74131a6d6bfb7a9db0a46 in WSL:Ubuntu-22.04 but it does not seem to recognize any spectra.…
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Hello jorainer,
First of all many thanks for this utterly great and comprehensible tutorial and of course all the wonderful work hidden in the `Spectra` package.
I would like to ask some questio…
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This ticket replaces the ols-support ticket [#343244](https://helpdesk.ebi.ac.uk/Ticket/Display.html?id=343244).
Dear OLS team, dear Yannick,
it would be great if the ChemOnt could be added
…
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Hi @RJMW
To have the tools from https://github.com/computational-metabolomics deployed more easily it would be cool to have them all in one repository. This would simplify maintenance a bit:
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Update the following URL to point to the GitHub repository of
the package you wish to submit to _Bioconductor_
- Repository: https://github.com/MetaboComp/batchCorr
Confirm the following by edi…
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https://github.com/precisiontox/Globus_automation/blob/main/uob-uhei-sync.sh#L37
Discussion needed: @RJMW @JCGonzS
Rationale: define data store organization and url patterns for data files so…
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## The R for Mass Spectrometry Initiative
Authors/developers: @lgatto @sgibb @jorainer
The objectives of the *R for Mass Spectrometry* initiative (https://www.rformassspectrometry.org/) are…
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Hi,
I am processing untargeted metabolomics using the vignette. I tried a retention time correction based on peak groups with the following settings. Beside the rather small number of landmark peak…