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Add additional NOM metadata to data portal #1719

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Merged
merged 6 commits into from
Aug 8, 2025

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naglepuff
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@naglepuff naglepuff commented Aug 4, 2025

Fix #1681

Changes

Adds eluent_introduction_category, sampled_portion, and polarity_mode to the data object table for Natural Organic Matter workflow outputs.

Ingest Changes

Two changes have been made to data generation ingest.

  1. During the recursive fetching of biosample inputs, we now also track sampled_portion from all processed samples in the chain direct processed sample inputs to Data Generation records and store this in the annotations column (which is a JSONB column) for each data generation. After ingest you can see the results with SELECT DISTINCT(annotations->>'sampled_portions') FROM omics_processing;
  2. We store the polarity_mode of the mass spectrometry configuration in a similar manner.

Frontend Changes

Logic similar to changes made for lipidomics has been added to the DataObjectTable component to render this additional metadata in the appropriate headers.
image

@samobermiller
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Thanks @naglepuff ! There are two updates I'm hoping we can make?

1 ) I know you asked about displaying all sampled_portion values since its an array, and I said yes. But I didn't realize you were collecting all the processed samples upstream of the one used as input to data generation. We would only want the values for sampled_portion on the final processed sample that was used as input. Does that make sense?
2) Can we display the title for sampled_portion so it reads "methanol layer" instead of "methanol_layer"?

Otherwise this looks great!

@naglepuff
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1 ) I know you asked about displaying all sampled_portion values since its an array, and I said yes. But I didn't realize you were collecting all the processed samples upstream of the one used as input to data generation. We would only want the values for sampled_portion on the final processed sample that was used as input. Does that make sense?
2) Can we display the title for sampled_portion so it reads "methanol layer" instead of "methanol_layer"?

Thanks for the feedback @samobermiller! I'll start working on the changes

@naglepuff naglepuff force-pushed the 1681-nom-processed-sample-data branch from aeb924d to 1995b4b Compare August 6, 2025 20:20
@naglepuff
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@samobermiller I've addressed your comments and updated the PR description and screenshot to reflect the changes.

@naglepuff naglepuff changed the title Capture sampled_portion of processed samples Add additional NOM metadata to data portal Aug 7, 2025
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@marySalvi marySalvi left a comment

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Tiny grammar change but otherwise everything looks great. No issues during ingest.

@samobermiller
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@samobermiller I've addressed your comments and updated the PR description and screenshot to reflect the changes.

Thank you! These changes look great

Co-authored-by: Mary Salvi <40494088+marySalvi@users.noreply.github.com>
@naglepuff naglepuff merged commit d961043 into main Aug 8, 2025
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@naglepuff naglepuff deleted the 1681-nom-processed-sample-data branch August 8, 2025 16:11
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UI Changes for additional NOM metadata
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