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Add precursor mass/charge range columns to DDA template#796

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jonasscheid wants to merge 1 commit intobigbio:devfrom
jonasscheid:feature/dda-precursor-columns
Open

Add precursor mass/charge range columns to DDA template#796
jonasscheid wants to merge 1 commit intobigbio:devfrom
jonasscheid:feature/dda-precursor-columns

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@jonasscheid
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Summary

  • Adds two new optional columns to the DDA acquisition template as suggested in Suggestions to SDRF v1.1.0 #774:
    • comment[precursor mass range] — precursor mass range for database search (e.g., 800:2500)
    • comment[precursor charge range] — precursor charge range for database search (e.g., 1:3)
  • Columns added to both sdrf-terms.tsv and the DDA template README.adoc (HTML and AsciiDoc table sections)

These values are commonly defined in MS acquisition methods and parsed directly into search engines. Adding them as optional DDA columns improves reproducibility and enables automated reanalysis workflows.

Closes #774 (point 3)

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@jonasscheid
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The link-check CI failure is pre-existing and unrelated to this PR. The three broken links are in files not touched by this PR:

  • README.md: https://github.com/bigbio/proteomics-metadata-standard/blob/master/llms.txt → 404
  • README.md: https://eubic-ms.org/ → timeout
  • VERSIONING.adoc: https://github.com/bigbio/.../CHANGELOG.md → 404

@ypriverol
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@jonasscheid
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jonasscheid commented Feb 9, 2026

Ah! That is good to know! Is MS scan range == MS min MZ : MS max MZ?

Would be good to extend this ontology also with MS min IM and MS max IM or MS IM range for ion mobility experiments if we are using them here

I would include them all as Optional, since you definitely need to define this in you MS device method

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