rickhelmus

Hello, Many thanks, the internal function seems to work well. Is there a particular reason in mind why this function is 1% unsafe? :-)

Hi @Jasmin-Zeng , Sorry for my late reply. This is definitely possible. There are various ways, but probably the easiest is to use the `delete()` function, for instance: ```r #...

Hi @Jasmin-Zeng , Great! Unfortunately, importing peak lists is not yet supported (but planned for the next major release). However, with a bit of creativity and coding, perhaps you could...

Hello, Tbh I wasn't aware that SIRIUS could do multiple adducts at once. However, unfortunately, this will be quite difficult to support in patRoon at the moment. Everything is more...

Hi Leon, Good question! When I implemented the caching I had in mind to put limits, but in the end this didn't turn out to be very straightforward to do...

Hi Leon, Doesn't ring any bells here, perhaps some data is missing via the import, but that's just guessing. Would it be possible to share some of the objects (`fGroupsPO`,...

Hi Leon, Thanks for the files and further investigation. In the end it seems that the XCMS structure is incomplete, and the error happens somewhere in the XCMS code. Under...

Hi @LeonSaal , I just pushed some small changes that should initialize some missing data. Could you please test it? I also hope it doesn't break anything else, so feedback...

Hi Leon, Sorry for my late reply again... But great things are working now for you. I totally forgot to mention, but even with the fix I pushed for `xcms3`...

Hi Leon, That is a nice luxury ;-) Which steps are you specifically talking about? The peak lists are actually kept in memory after being generated, and during their creation...