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cheminfo / chromatography

Tools for storing, search and analyze GC/MS spectra
https://cheminfo.github.io/chromatography
MIT License
9 stars 5 forks source link

Create an 'integrate' method #23

Closed lpatiny closed 7 years ago

lpatiny commented 7 years ago

Please check the documentation of the ms/integrate file. It is not really trivial to implement a FAST algorithm ...

maasencioh commented 7 years ago

the concern it's more if it's fast or if it's accurate? because if we round the value, it's 'easy' to map it to an object and start to add them, but if we like a more accurate version we could consider to use hierarchical clustering