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find_peaks: every separate peak in an XIC; n_signal counts scans with the ion - #18

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find-peaks
Oct 11, 2026
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@lfu46 lfu46 commented Oct 11, 2026

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find_peaks: every separate peak in an XIC; n_signal counts scans with the ion

… the ion

peak_boundary measures one peak. A glycopeptide XIC often holds several (an
isomer, a second elution), and the reader of one boundary cannot see the peak a
minute away. find_peaks takes the trace's local maxima tallest first, bounds each
with the same valley walk, and clips boundaries so peaks never overlap; a local
maximum inside an earlier peak is a shoulder, not a peak.

bridge_dropouts=k fills runs of at most k zero scans with signal on both sides
before peak finding. On NGlycoM012 F21 MS1 traces a single empty scan split one
elution in two in 914 of 1,878 "second peak" cases without it.

PeakMetrics.n_signal and TracePeak.n_signal count the scans in the boundaries
above baseline. n_points also counts the two boundary scans, which on a
zero-filled trace are empty, so a one-scan blip read as a three-point peak.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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lfu46 merged commit 547fd28 into main Oct 11, 2026
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lfu46 deleted the find-peaks branch October 11, 2026 18:25
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