Update PeakData output format to accommodate data with multiple labels per tracer

[lparsons]

FEATURE DESCRIPTION

Feature Inspiration

Experiments that use tracers with multiple labels require peak data rows for each combination of labels, for example:

• C0, N0 - Unlabeled
• C0, N1 - Nitrogen Labeled only (1)
• C0, N2 - Nitrogen Labeled only (2)
• C1, N0 - Carbon Labeled only (1)
• C2, N0 - Carbon Labeled only (2)
• C1, N1 - Carbon and Nitrogen labeled (1, 1)
• C1, N2 - Carbon and Nitrogen labeled (1, 2)
• C2, N1 - Carbon and Nitrogen labeled (2, 1)
• C2, N2 - Carbon and Nitrogen labeled (2, 2)

Feature Description

• Additional rows for each combination of labeling.
• PeakData:Fraction is the fraction of 'this' isotope out of all isotopes (including both elements).

Examples

• google slides describing expected outputs
• google sheet of example calculations

Alternatives Considered

None

Comment

NOTE: This may be broken into multiple issues to track the changes required to the functions computing the values separately from the changes to the views.

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ISSUE OWNER SECTION

Assumptions

• A PeakData record links to a combination of PeakDataLabel records that represent a single labeling state (e.g. C2, N0), thus there is no need to "split_rows"

Requirements

• [ ] Comma-delimit the element:count column

Limitations

none

Affected/Changed Components

• DataRepo/templates/DataRepo/search/results/peakdata.html
• DataRepo/formats/peakdata_dataformat.py

DESIGN

GUI Change description

Comma-delimited element:count column and a row for each labeling combination.

Code Change Description (Pseudocode optional)

• Add PeakDataLabel to peakdata_format.py
• Set split_rows for PeakDataLabel to true
• Update PeakData fields

Tests

• [ ] Call performQuery to find 1 peakdata record(s) with 2 labeled elements and confirm the number of root table records is 1
• Note there's no way to test that the template renders comma-delimited elements/counts

[hepcat72]

Ugh. I started working on this, but realized I can't test out the interface due to extant errors from various recent code changes.

[hepcat72]

Merged