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cheminfo / multiplet-analysis

Analyse multiplet
https://cheminfo.github.io/multiplet-analysis/docs/
MIT License
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performance improvement #6

Closed djeanner closed 4 years ago

djeanner commented 4 years ago

Make the search for the max in two steps to increase speed. Currently 1s per multiplet analysis is totally unacceptable.

djeanner commented 4 years ago

Estimate the line width .... and take at (say) least 4 point for the half widht. Measure at a lower level (-0.3).... then refine search in multiplet setps...

djeanner commented 4 years ago

could be better (because calculate full deconvoluted instead of skipping points, but this is good enough at this point...