Examples

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These examples of NMR records and of NMReDATA files may not be totally correct in their format. Please report any problem...

benzopyrene record: link to zenodo upload / direct download of record

+ 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 folder)

- no NMR spectra
+ implicit and explicit H
~ simple

Androsten NMReDATA files (link to GitHub folder)

- no NMR spectra
+ coupling network tag (NMREDATA_J)
+ very detailed description of spectra with assigned couplings (optional)
~ explicit H
~ complex