Import list of masses to create EICs

cheminfo / mass-tools

Various projects dealing with molecular formula

https://cheminfo.github.io/mass-tools/

MIT License

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Import list of masses to create EICs #26

Open jdesport opened 3 years ago

jdesport commented 3 years ago

IMPROVMENT Adding an option to be able to import a list of m/z of interest to generate their EICs. Alternatively to extracting the ion chromatograms one by one.

lpatiny commented 3 years ago

How long this list ?

They should be considered as different traces ?

jdesport commented 3 years ago

As long as we can, depending on how slow it gets. Maybe 15 to start with?

Both different traces and cumulative traces are interesting depending on the applications For IMS: different traces with report of peak max and FMHW are Nb 1 requirement. For LCxMS (polymers): cumulative traces are very important (several masses contribute to the same EIC).