Julianus Pfeuffer
Julianus Pfeuffer
Oh and can you quickly point me to where the merged spectra are passed to sirius? I think I will just write them out with annotations. Too much trouble to...
ok hmm well, I guess until we can access the merged spectrum, we could annotate all spectra (associated to the same feature) with the same result annotations right? Then you...
Hi @oliveralka So far so good. I can export the annotated peaks to an mzML now. One question: What is this line for? https://github.com/OpenMS/OpenMS/blob/develop/src/openms/source/FORMAT/DATAACCESS/SiriusFragmentAnnotation.cpp#L73 Why do you need to make...
Hmm I am not sure I understand. I thought your SiriusAnnotationExtraction code only extracts the first ranking candidate anyway. How can you have multiple first ranks for the same feature?
Ah I see. But in that case there would never be multiple candidates reported by Sirius right? In that mode it only evaluates the one formula given to it right?...
By the way, do you know if you get SMILES annotations of peaks after CSI:FingerID? Is there an example output after fingerid somewhere? EDIT: thinking about it, probably not. You...
Ah! Thanks! But this is for the whole spectrum, right? I am currently investigating the possibility to annotate the peaks in the fragment spectrum with the output from Sirius.
I implemented it mostly in a recent PR #6091
I dont get it. Why is there sometimes Parameters and sometimes not?
Definitely :param: :return: