Story books - Githubissues

cheminfo / nmrium

React component to display and process nuclear magnetic resonance (NMR) spectra.

https://docs.nmrium.org

MIT License

55 stars 26 forks source link

Story books #40

Closed lpatiny closed 5 years ago

lpatiny commented 5 years ago

We would need the following stories in storybook:

[x] 1H NMR spectrum
[x] 13C NMR spectrum
[ ] 1H NMR spectrum FID
[ ] 13C NMR spectrum FID
[ ] 13C coupled and 13C decoupled superimposition
[ ] 20 NMR spectra of metabo
[x] 20 NMR fid of metabo
[x] COSY with corresponding 1D spectrum
[x] COSY + TOCSY + ROESY with corresponding 1D spectrum
[x] HSQC + HMBC with corresponding 1D spectra

hamed-musallam commented 5 years ago

@lpatiny
can you provide data smaples, jcamp files for each one.

lpatiny commented 5 years ago

@hamed-musallam Could you create a story book from jcamps ?

hamed-musallam commented 5 years ago

@lpatiny no i can't but i mean how i can determine if it's 1H or 3H when i drag and drop jcamp file, but i need array samples x and y to create the story book that you are request.

jwist commented 5 years ago

in the jcamp you can look for a line that says: ##$NUC1= <1H>

it means that the nucleus in the first dimension is 1H. If you look at the next line NUC2 it will help you to find out what nucleus is in the second dimension (if there is any)

By looking at NUC1, NUC2 and ev NUC3 you can find out what kind of experiment you have.