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.
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