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singjc avatar singjc commented on July 18, 2024

I think Solution 1 would make the most sense, having separate advanced parameters for peakPickerMRM (admittedly, some of the parameters are hard coded/set for known working chromatograms settings). This way, if the user selects no smoothing for the visualization aspect, they can still do peak picking on the raw data, and play with peak picking smoothing.

If the user does apply smoothing for visualization, then should both visualization and peak picking smoothing always be the same, or independent?

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singjc avatar singjc commented on July 18, 2024

Also, right now sgolay_polynomial_order and sgolay_frame_length get returned from chromatogram_plotting_settings, which is also already in smoothing_dict which also gets returned. I think I will refactor only return and pass smoothing_dict to make it easier to add other smoothing functions. I don't know why I have this redundancy lol

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jcharkow avatar jcharkow commented on July 18, 2024

Hmm would that be confusing though to have the peak picking boundaries on the chromatogram not shown? Having said that it is useful for new algorithm development. Maybe there can be a checkbox that will just do peak picking on the shown chromatogram and if that is unchecked then the advanced parameters are shown?

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singjc avatar singjc commented on July 18, 2024

Addressed with PR #6

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