Open kjappelbaum opened 4 years ago
Indeed I also heard from another group about this splash. Looks interesting.
This is however not related to chromatography.
I think you may create mass-processing package similar to https://github.com/cheminfo/nmr-processing that would include such methods. I would also migrate some of the mass related method from chromatography to this new package.
for MS it might be interesting to compute the SPLASH hash (https://splash.fiehnlab.ucdavis.edu/, https://www.nature.com/articles/nbt.3689) which might be neat to search databases. I can look into it.