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feat: add PSMtag light modification for K and N-term#388

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GeorgWa merged 2 commits intomainfrom
add-psm-tag
Jan 5, 2026
Merged

feat: add PSMtag light modification for K and N-term#388
GeorgWa merged 2 commits intomainfrom
add-psm-tag

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@GeorgWa GeorgWa commented Jan 4, 2026

Summary

  • Add PSMtag (photocleavable mass tag) light version modifications
  • PSMtag@K: lysine epsilon-amine conjugation
  • PSMtag@Any_N-term: N-terminal conjugation
  • Delta mass: 308.116092 Da, Formula: C(18)H(16)N(2)O(3)
  • Add msfragger modification mapping and mass_mapped_mods

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Add PSMtag (photocleavable mass tag) modifications:
- PSMtag@K: lysine epsilon-amine conjugation
- PSMtag@Any_N-term: N-terminal conjugation
- Add msfragger modification mapping K(308.1160), N-term(308.1160)
- Add to mass_mapped_mods for msfragger_psm_tsv

Delta mass: 308.116092 Da, Formula: C(18)H(16)N(2)O(3)

🤖 Generated with [Claude Code](https://claude.com/claude-code)

Co-Authored-By: Claude <noreply@anthropic.com>
@GeorgWa GeorgWa requested review from Copilot, lucas-diedrich and mschwoer and removed request for Copilot and lucas-diedrich January 4, 2026 13:12
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Pull request overview

This PR adds support for PSMtag light modification, a photocleavable mass tag used for proteomics analysis. The modifications are defined for lysine residues and N-terminal positions with a delta mass of 308.116092 Da.

Key changes:

  • Added PSMtag modification definitions for K and Any_N-term sites
  • Configured MSFragger reader to recognize PSMtag modifications
  • Added modification mappings for PSMtag variants

Reviewed changes

Copilot reviewed 2 out of 2 changed files in this pull request and generated no comments.

File Description
alphabase/constants/const_files/psm_reader.yaml Added PSMtag modification mappings and MSFragger mass-mapped modifications
alphabase/constants/const_files/modification.tsv Added PSMtag modification definitions with mass, formula, and SMILES notation

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LGTM

Base automatically changed from refactor-mod-placeholder to main January 5, 2026 23:52
Resolve conflicts in modification.tsv and psm_reader.yaml by keeping
both PSMtag modifications from add-psm-tag and Lactyl/YnLactyl/Dimethyl
modifications from main.

🤖 Generated with [Claude Code](https://claude.com/claude-code)

Co-Authored-By: Claude <noreply@anthropic.com>
@GeorgWa GeorgWa merged commit 712b8e7 into main Jan 5, 2026
2 of 3 checks passed
@GeorgWa GeorgWa deleted the add-psm-tag branch January 5, 2026 23:54
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3 participants