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cheminfo / nmrium

React component to display and process nuclear magnetic resonance (NMR) spectra.
https://docs.nmrium.org
MIT License
53 stars 25 forks source link

automatic peak-picking / SINO measurement / Noise detection #39

Open djeanner opened 5 years ago

djeanner commented 5 years ago

If you want to introduce an automatic peak picking, you may want to consider the automatic measurement of the SINO. Than you take peaks for extrema that are above&below 5xnoise level. I wrote a paper on a nice algorith to determine SINO automatically in 1D and 2D spectra https://onlinelibrary.wiley.com/doi/full/10.1002/mrc.4882

lpatiny commented 5 years ago

Yes excellent idea. Could you contribute with those algorithms in the project: https://github.com/mljs/spectra-processing And in particular in the folder: https://github.com/mljs/spectra-processing/tree/master/src/xy You can calculate information from an object containing x and y array. We can meet so that you develop it with us and we show you best practices in javascript so that you can contribute easily in the future.

lpatiny commented 4 years ago

@djeanner Anything new about the ?

You may also directly add the code as a filter in the following folder and make a pull request:

https://github.com/cheminfo/nmr-displayer/tree/master/src/data/data1d/filter1d

djeanner commented 4 years ago

Tu m’avais dit que tu m’expliquerais... Je parlais de novembre pour cela - nous y sommes. Est-ce qu’il y a un moment de la semaine / journée qui te convient pour que je passe à Ls? Amicalement, aminé

————————————— e-Research/DLCM University of Geneva damien.jeannerat@unige.chmailto:damien.jeannerat@unige.ch ————————————— NMReDATA Initiative nmredata.org ————————————— NMRprocess.ch damien.jeannerat@protonmail.com

On 29 Oct 2019, at 10:24, Luc Patiny notifications@github.com<mailto:notifications@github.com> wrote:

@djeannerhttps://github.com/djeanner Anything new about the ?

You may also directly add the code as a filter in the following folder and make a pull request:

https://github.com/cheminfo/nmr-displayer/tree/master/src/data/data1d/filter1d

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lpatiny commented 4 years ago

@djeanner I tried to contact you by Telegram