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isotope_trace_evidence: integer span_from anchors on the isolated isotope - #17

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xic-span-isolated
Oct 11, 2026
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@lfu46 lfu46 commented Oct 11, 2026

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isotope_trace_evidence: integer span_from anchors on the isolated isotope

… on the isolated peak

Measured on NGlycoM012 F21 (11,725 glycan-q PSMs, from a local cache): span_from='strongest'
RAISED the share of precursors with no monoisotopic signal, from 2,668 to 3,588 of 5,683
untraced PSMs and from 224 to 822 of 6,042 IonQuant-traced ones. In a two-minute window the
tallest isotope trace is often another species, and its half-maximum span then excludes the
real elution. The species the instrument fragmented is the isolated peak, M+k for the search's
isotope offset k, and it is present at the MS2 time by construction; an int span_from anchors
there. k=0 is 'mono'. 'strongest' stays available, documented with its failure mode.

Co-Authored-By: Claude Fable 5.1 <noreply@anthropic.com>
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lfu46 merged commit 539f826 into main Oct 11, 2026
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lfu46 deleted the xic-span-isolated branch October 11, 2026 14:59
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