Matteo Pilz
Matteo Pilz
Should we use the Eigen library or do something ourselves? Matrix is already an OpenMS datastructure, should we add vector2d as well?
Where do we want to display that on the website and docs?
It looks like this is not used at all, except for in the views folder.
Added the peptideHit conversion, thanks to @Arslan-Siraj. I have also added a predefined function for disabling annotation types like ion type or neutral losses. ``` sp = peptide_hit_to_spectrum_utils(hit) fig, ax...
What I currently don't know is the correct assignment of compound, chemical formula and neutral loss. spectrum_utils is using the ProForma 2.0 annotation standard, while we follow a seemingly different...
@Arslan-Siraj, have you found something that needs changing?
 
Only the function `spectrum_to_spectrum_utils` depends on spectrum utils. The import is inside the function and should throw by default a dependency error if spectrum utils is missing and the function...
I have put the dependency in our API documentation now. I don't think we should put it in the requirements.txt, as it is really only necessary for the conversion.
Currently we do not have any tutorials about the conversion, but I can write one.