deisotopeAndSingleCharge #7635
Replies: 2 comments 10 replies
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Hi, You can deisotope it, generate Isotope patterns given the monoisotopes and then match the peaks to that. Not great. |
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Yes, that would be very helpful, thank you. 
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Hi, |
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Yes I think this will be the way to go. I am waiting on feedback from the codeowner @timosachsenberg |
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Sorry for the late response. The C++ code already contains logic to assign feature numbers to individual peaks. It is just not exported as IntegerDataArray.
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Thank you very much for your replies. I've created a pull request to add the code above, if that's okay with you. |
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PR has been integrated |
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Hello. I have just started using pyopenms. I wanted to ask whether there is a way to get the list of peaks for each isotopic cluster and not just the ion with the highest intensity after using deisotopeAndSingleCharge()? Or is there a another function which could do that? Thank you
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