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v7.58.0

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@cheminfo-bot cheminfo-bot released this 20 Jul 11:41
db612a2

7.58.0 (2026-07-20)

Features

  • ms-spectrum: evaluate the charge on the isotopologue clusters (#321) (a3e0de5)
  • ms-spectrum: ignore the noise when peak picking a continuous spectrum (29089af)

Bug Fixes

  • emdb: point the KnapSack links to the new domain (c2bbbf4)
  • ms-spectrum: clear the derived data when the spectrum changes (2c241a8)
  • ms-spectrum: evaluate the charge on the peaks and not on the raw data (50e2faf)