cheminfo / cheminfo/nmrium

Be able to create a spectrum from a ranges object

Open
#155 3 comments 0 reactions 0 assignees View on GitHub
Dominant language
TypeScript
Stars
80
Forks
34
Avg merge
2d 9h
Merged PRs (30d)
36

Description

We should be able to create a spectrum from scratch. This could be achieved by filling a table in which we create AB, ABC, AB3, A2B3, etc system or from ranges.

This would be a new accordeon panel on the right for the simulation and would generate for a specific frequency, specific line width, peak shape, etc.

![image](https://user-images.githubusercontent.com/1484241/68526867-af961580-02e0-11ea-9b8a-7fd779ae8298.png)

You may get inspired by:
https://github.com/NPellet/visualizer/blob/master/src/modules/types/science/spectra/nmr/webservice_nmr_spin/view.js

and mainly the simulation.SpinSystem method:
https://github.com/NPellet/visualizer/blob/master/src/modules/types/science/spectra/nmr/webservice_nmr_spin/controller.js

https://www.npmjs.com/package/nmr-simulation

Contributor guide

No contributing guide indexed for this repository

Assessment

This issue has not been assessed yet.

Get new issues in your inbox

A short digest of beginner-friendly GitHub issues.