Niek de Jonge

@hechth In addition to checking if the field exists I would add a check that it is a valid entry to make it complete. So checking it is an integer...

I tried to quickly implement this in #572 However, I now realize that we need all these different style of inputs for yaml file loading, since the yaml file will...

Great, I will make the PRs, we will have to update the manuscript once we get the revisions in.

@florian-huber What is the status of the tutorial. Does this already use the new Pipeline? Is it worth starting from this tutorial, or do you think it is best to...

I feel like MSn is currently not used very much by the community. Do you agree @justinjjvanderhooft? Mainly because there is little software and reference libraries. They are now working...

Yes I think in the future that could certainly be valuable. The merging is implemented in MZMine already, so it might not even be needed to also implement in mathms.

We compare the smiles to the precursor mz and if the mass difference matches a common adduct the adduct and parent mass are updated accordingly. The smiles are indeed expected...

To add on that: The rdkit error solved in https://github.com/matchms/matchms/pull/447/files has the default rdApp.error , this still gives many “errors” like you mention. Which we do not want. Therefore we...

@JannikSchneider12 thanks for the clear issue and sorry for the delay in response, I think it was missed at first. I am not familiar with the silhouette score, but do...

That is great! We didn't have the time yet to build something like this into matchms. I had a quick look at your package and it seemed like it would...