dependencies in handling Ambiguity #73
Description
Is your feature request related to a problem? Please describe.
Hi, during the hackathon it was mentioned that we have fields in mzTab-M that handle Pipe(|)-separated alternatives for annotations.
However, there are also cases where the ambiguities need to match corresponding ambiguous ion annotation and molecular formula possibilities:
https://www.lipidmaps.org/databases/lmsd/LMGP02010052
has C41H78NO8P and [M+H]=744.5538 [C41H79NO8P]
While https://www.lipidmaps.org/databases/lmsd/LMGP10010411
has C41H75O8P and [M+NH4]=744.5538 [C41H79NO8P].
Yours, Steffen
Describe the solution you'd like
TODO: A clear and concise description of what you want to add or modify. Please try to also add examples (snippets for the tab-separated format, see https://github.com/HUPO-PSI/mzTab-M/blob/main/specification_documents/mzTab_format_specification_2_1-M.adoc#625-sample_processing1-n for reference)
Describe alternatives you've considered
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Additional context
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Submitter Tasks
- Provide a pull request (Please add the link)
- Schema: Update mzTab_m_openapi.yml (View File)
- Specification: Update mzTab_format_specification_2_1-M.adoc with an example (View File)
- Example files: if possible, modify an existing or add a new example file (Existing example files)
Maintainer & WG Tasks
- Triage: Assign labels and Milestones to this issue.
- Discuss and review and approve PR.
Next Steps, once we reach an agreement on the changes above:
- Create a downstream issue in the jmzTab-m repo (https://github.com/lifs-tools/jmzTab-m/issues)
- Implement and test changes in jmzTab-M
- Implement changes in R & Python implementations