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Edit slots and usages to accommodate multiple detection configurations for single MassSpectrometry instance #141

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merged 3 commits into from
Apr 30, 2024

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kheal
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@kheal kheal commented Apr 25, 2024

Addresses issue here: microbiomedata#1910

MassSpectrometry class needs some slots to be multivalued to better describe the data generation process, particularly for LC-lipidomics samples.

The following slots should be able to be multivalued (and therefore the slot names should change to be plural) and their definitions and usage updated as necessary

  • resolution_category ->resolution_categories
  • mass_analyzer ->mass_analyzers
  • mass_spectrum_collection_mode ->mass_spectrum_collection_modes

Note that this is independent of #130 (creation of Configuration class etc). Wherever the slots end up (on MassSpectometry or MassSpectrometryConfiguration), they need to be able to multivalued as demonstrated in the second entry in https://github.com/microbiomedata/berkeley-schema-fy24/blob/massspec_slot_updates/src/data/valid/Database-mass-spectrometry.yaml.

I will update #130 once this change is merged into main on this fork.

@kheal kheal marked this pull request as ready for review April 25, 2024 20:42
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@SamuelPurvine SamuelPurvine left a comment

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I like them! These need to allow multiple values, since that what the data often are.

@kheal kheal merged commit 50fbb3f into main Apr 30, 2024
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@kheal kheal deleted the massspec_slot_updates branch April 30, 2024 21:37
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3 participants