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Peak integration improvements #54

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zeehio opened this issue Sep 28, 2021 · 0 comments
Open
5 tasks

Peak integration improvements #54

zeehio opened this issue Sep 28, 2021 · 0 comments

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@zeehio
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zeehio commented Sep 28, 2021

  • In the tutorial, repeat peak detection after alignment and normalization and before integration. It improves results
  • In the tutorial and docs, explain different strategies for peak integration and consequences.
    • Using the peaks from just one sample is a bad idea, unless that sample contains all possible peaks (pool of samples). In the case is a pool this may still not be the best approach.
    • Integrate peaks from all samples and merge peaks. We have room for improvement here in the pkg
  • Show a plot with peak integrations
  • Improve peak width estimation. Currently we base the estimation on the alanine peak, but we use the FWHM. I would probably 3/2 the FWHM so we integrate 90% of the peak, not just the top half (re-check the 3/2 based on a lorentzian distribution)
  • Use wavelets for peak width estimation?
@zeehio zeehio changed the title Show peak integration in a plot Peak integration improvements Sep 28, 2021
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