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Match provenance (origin, non-exclusive matching); calibrated MS1 patch and cap-status fixes - #22
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…not cut Nothing is interpolated there, and short end-of-run scans (80-150 peaks) can have a held-out p99 just over 1 ppm, which refused NGlycoMM NG_12_R for no reason. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
With few MS1 scans the single largest one already reached 5%, so an uncapped source read as capped. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
…allback MatchedIon gains an origin field (default empty, so positional construction is unchanged). Callers that keep evidence provenance can now tell a raw-fallback match from a deisotoped one. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
The default stays exclusive: a peak explains one ion, the first in priority order. exclusive=False (also through canonical_match with the default matcher) lets each ion take its nearest peak, so ambiguous peaks are visible as such. Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
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