search

cheminfo / multiplet-analysis

Analyse multiplet
https://cheminfo.github.io/multiplet-analysis/docs/
MIT License
1 stars 1 forks source link

multiple plot graph #3

Closed djeanner closed 4 years ago

djeanner commented 4 years ago

Instead of plotting only one line, I would like to plot multiple lines (in the multiplet and error function windows). In other words, instead of having x and y, in multiplet1.json and errfun1.json, I would like to have and array of array, or x1, y1, y2, y2, etc.

djeanner commented 4 years ago

Recursive simplification of the multiplet structure. Each step provides a coupling. Here a cross-section in the high-resolution DQF-COSY spectrum with multiple ++ splitting and one +- splitting (for the active coupling - the one between the spins giving rise to the cross-peak under investigation. Bottom: fragment of the coupling obtained by the analysis of this cross peak. Whe working with 1d 1H multiplets, the fragment will not designate the partner, only the four edges. Ref: http://archive-ouverte.unige.ch/unige:7891 direct ref Screenshot 2020-01-31 10 25 48

lpatiny commented 4 years ago

We create now only one result.json

lpatiny commented 4 years ago

In order to run the code please use node -r esm examples/double.js The web folder is also now in examples.