search

mzmine / mzmine

mzmine source code repository
https://mzmine.github.io/mzmine_documentation/
MIT License
174 stars 120 forks source link

Isotope peak finder charge detection #591

Open SteffenHeu opened 2 years ago

SteffenHeu commented 2 years ago

Isotope peak finder fails the charge detection

Isotope pattern is recognised correclty with (2 peaks): grafik

But the charge is recognised as 2: grafik

Parameters: Isotope finder module Feature lists: E39c10_500ms_RC2_2_2284.d chrom sm res adap expanded res deiso Chemical elements: [Element(1812542745, S:C, AN:6), Element(719377338, S:O, AN:8)] m/z tolerance: 0.003 m/z or 3.0 ppm Maximum charge of isotope m/z: 2 Search in scans: SINGLE MOST INTENSE

SteffenHeu commented 6 months ago

@robinschmid i think this is fixed or?