Louis-Félix Nothias

That's awesome ! Thank you very much

Is there any single nodes in the Cytoscape file ?

Then it is likely the reason. @mwang87 would that be reasonable to add an extra graphml file containing the single nodes ? Or something else would be best suited ?

Please assign to @lfnothias

@anupriyatripathi Note that most GNPS libraries and NIST were used for the training of CSIFingerID. so it should be identical in all cases, but it doesn't prove anything on the...

I think that's fine as a sanity check. But if an experimental spectrum matches a library spectrum then are very similar to each other, so this is still an overfitting...

Nice. That seems a very practical way to deal with SIRIUS in the long run ! If we could also support a similarity matrix as input, that would give the...

Hi @iprotsyuk This saturation level will depend on the instrument and the methods. Here is an example of strong chromatographic/mass spec saturation. Column is phenomenex 2.1 mm x 100 mm...

Hi @iprotsyuk, Even in centroid mode, it should be possible to assess saturation by monitoring the variation in the isotopic ratio between the beginning of the chromatographic peak and the...

Hi Faith, Optimus is not supported anymore. The recommended was to do molecular cartography is to use any of feature-based molecular networking software (like MZmine) and run ili via a...