Duplicated spectra in spectrum-centric dataframe

[veitveit]

At least happening for the example dataset.

[michabirklbauer]

So this seems to be an issue related to fragannot, the original result returned by fragannot contains several entries for every spectrum (that sometimes are the same and sometimes different). Therefore we get these duplicates - which btw also happens for the fragment-centric dataframe.

[michabirklbauer]

This is the original result from fragannot result.json

[michabirklbauer]

I can add a filter that keeps track of everything that was already added to the dataframes to avoid duplicates, but maybe we should check if everything is right with fragannot (e.g. why we get these duplicate results)?