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Hi!!
When using the function `MatchForwardReverseParam` together with the GNPS functions (i.e., MAPFUN = joinPeaksGnps, FUN = gnps) to get the number of matching peaks and presence ratio (apart fro…
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**Describe the bug**
MSHub processing job fails
166 files, Thermo iTQ ion trap EI data converted from raw to mzML with ProteoWizard MSconvert with peak picking, vendor algorithm All samples run und…
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The export of IIN through the `Export to GNPS-FBMN` module does not give the same as the export through `feature network to csv`.
- It looks like the score in the GNPS output is not found in the ot…
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See discussion
https://github.com/MassBank/MassBank-data/issues/79
- PSI identifier
- GNPS example
Including the scan number will allow users to extract also the raw data - this will require …
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### Basic information
* My operating system: Windows 11
* My MZmine version: 3.9.0
### When I analyzed my LC-MS data and exported it for GNPS, the exported mgf and excel files were empty. Siriu…
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By default, if the query MS2 is ONLY in one MassIVE then the dataset matches should indicate at least that MassIVE dataset. It is hard to believe one MS2 is only once in the entire GNPS. Ideas? Exampl…
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The export of quant table, mgf (from ADAP workflow), and Kovats file works.
- Need to finalize the direct submission in MZmine in accordance to the HTTP endpoint provided by GNPS and @mwang87 .
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I would like to report what I believe to be a bug in the metabolomics spectrum resolver. I’m using it to retrieve the cosine similarity of a list of USIs, which overall has been working well and is pr…
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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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Right now it's impossible to update GNPs on a running cluster using `lokoctl` without re-deploying the control plane (for example, the user might want to change `management_cidrs`). The reason it's im…