Examples
From NMReDATA
Revision as of 08:16, 20 October 2017 by 129.194.8.73 (talk)
Examples of NMR records and of NMReDATA files [See NMReDATA for details](http://nmredata.org/wiki)
benzopyrene record**: [link to zenodo
upload](https://doi.org/10.5281/zenodo.825777) / [direct download
of
record](https://www.zenodo.org/record/1032533/files/compound1.zip)
+ prototype exemple of record located in a database : ZENODO (free -
max 50 GB per user - REST API - DOI provider - versioning)
+ Bruker NMR spectra are in the Record
+ correct pointer to the spectra in the NMReDATA file
+ correct link to the database record (doi and html) in the NMReDATA
file
- assignment may not be complete (the NMReDATA file was type
manually)
~ Implicit H
- Set of ethanol NMReDATA files** ([link to GitHub
- no NMR spectra
+ implicit and explicit H
~ simple
- Androsten NMReDATA files** ([link to github
/- no NMR spectra
/+ coupling network
/+ very detailed description with assigned couplings
/~ explicit H
/~ complex