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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?
The text was updated successfully, but these errors were encountered:
zeehio
changed the title
Show peak integration in a plot
Peak integration improvements
Sep 28, 2021
The text was updated successfully, but these errors were encountered: