Added variant ions and more complex satellite ion definitions to the theoretical model#73
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douweschulte merged 22 commits intomainfrom Apr 8, 2025
Merged
Added variant ions and more complex satellite ion definitions to the theoretical model#73douweschulte merged 22 commits intomainfrom
douweschulte merged 22 commits intomainfrom
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…theoretical model
…aset exploratorily
…ses from glycans and immonium ions
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@di-hardt this PR has hit the stage where so much has changed that I am not sure I dare ask you to review. I am nearing completion, with the last pieces of logic on glycan fragments on peptide fragments still to be written. To give a quick run doen of stuff in here:
Let me know if you are still interested in reviewing. Sorry for making a mess of this PR but all the glycan stuff is really increasing the complexity. |
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Yeah sorry, I looked over your commits when they came in. Due to the complexity I wanted to do a full review this week. Anyway looked fine to me in the end. |
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Variant ions (z/z·/z') are quite common, especially in ETD and UVPD. While researching these I also found that w ions can be formed away from the main z ion backbone cleavage location. So the current model allows those fragments as well.
todo: