Examples
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 folder](https://github.com/djeanner/NMReDATA/tree/master/examples_of_NMRrecords_and_nmredata_sdf_files/ethanol_from_DFT_GIAO_dft))
- no NMR spectra + implicit and explicit H ~ simple
Androsten NMReDATA files ([link to github
folder](https://github.com/djeanner/NMReDATA/tree/master/examples_of_NMRrecords_and_nmredata_sdf_files/androsten_from_DFT_GIAO_calculation))
- no NMR spectra + coupling network + very detailed description with assigned couplings ~ explicit H ~ complex