fix: Report Peak of Interest data as calculated data in Stunner parser#1215
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PkOI columns were being consumed by peak extraction to prevent custom info leaking, but then discarded — the data never appeared in the output. The CALCULATED_DATA_LOOKUP already had entries for these fields but they didn't match the new "pkoi" column naming convention. - Remove PkOI consumption from _extract_peak_data (it's not a numbered peak) - Add alt_columns for new pkoi column names to existing Peak of Interest entries - Add two new entries following the "peak of interest" / "pkoi" pattern: Peak of Interest Mass Mean Diameter and Peak of Interest Rayleigh Ratio R - Add corresponding CalculatedDataConfig entries Co-Authored-By: Claude Opus 4.6 <noreply@anthropic.com>
stephenworlow
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nathan-stender
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### Fixed - Report Peak of Interest data as calculated data in Stunner parser (#1215)
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Summary
alt_columnsfor newpkoinaming convention to existingCALCULATED_DATA_LOOKUPPeak of Interest entriesContext
Follow-up to #1213. The
CALCULATED_DATA_LOOKUPalready had "Peak of Interest" entries but they used old column names (peak of interest mean dia (nm)) that didn't match the new format (pkoi intensity mean dia. (nm)). Meanwhile,_extract_peak_datawas consuming the PkOI columns to prevent leaking, effectively discarding the data entirely.Test plan
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