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fixed mz calc with n_term mod #134

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merged 2 commits into from
Aug 12, 2024
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PR Checklist

  • This comment contains a description of changes (with reason)
  • Referenced issue is linked
  • If you've fixed a bug or added code that should be tested, add tests!
  • Documentation in docs is updated

Description of changes

  • added TMT test for annotation and fixed adding the n-term mod mass to y2-yn ions

Technical details

Instead of just adding a potential n-term mod mass to the first aa position before adding all other mod masses to the respecitve aa masses, the n-term mod mass is removed from the mod dictionary mapping the mod positions in the aa sequence to their mass. Since n-term mods are stored at position -2, this lead to y2-yn ions getting it added by mistake after calculating the cumsum.

Additional context

@picciama picciama requested a review from WassimG August 12, 2024 13:49
@github-actions github-actions bot added the bug Something isn't working label Aug 12, 2024
@picciama picciama self-assigned this Aug 12, 2024
@picciama picciama merged commit 9a8c0ae into development Aug 12, 2024
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@picciama picciama deleted the fix/mz_calc_with_n_term_mod branch September 30, 2024 09:06
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