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@deweycw deweycw commented Oct 29, 2021

Hey Yuri,

Here is a function for finding the metal peaks in the LCICPMS data. It returns a dictionary with RT as keys and the metal as value. It's simple but functional.

I'm not sure all of the parameters in the existing peak picking algorithm are needed for the ICPMS data. Or maybe there is some way to better adapt it to the ICPMS data. It mostly gets the picks right, but not always. One thing that isn't clear to me is how or whether to subtract baseline, and whether the prominence and peak height parameters are important for the LCICPMS data.

Anyways, perhaps we can meet soon to discuss next steps.

-Christian

@corilo corilo merged commit 15a943a into EMSL-Computing:lcms Nov 1, 2021
deweycw pushed a commit to deweycw/CoreMS that referenced this pull request Aug 23, 2022
@deweycw deweycw deleted the lcms branch May 27, 2024 15:09
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2 participants