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fix: track charges on deisotoped ions (#220)#226

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fix/processed-spectrum-fragment-charges
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fix: track charges on deisotoped ions (#220)#226
lazear wants to merge 1 commit into
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fix/processed-spectrum-fragment-charges

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@lazear lazear commented May 4, 2026

Tracks charge state per ion in ProcessedSpectrum as a SoA charges: Vec column (#220)

  • Preserves reassigned charge state for deisotoped MS2 peaks (otherwise defaults to 1)
  • Removes the transient spectrum::Peak AoS helper
  • Updates matched fragment annotation so fragment_charge, calculated m/z, and experimental m/z reflect the observed/deisotoped peak charge

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