Difference between revisions of "Examples"
From NMReDATA
(→Examples of NMR records and of NMReDATA files) |
|||
| Line 11: | Line 11: | ||
~ Implicit H | ~ Implicit H | ||
| − | '''Set of ethanol NMReDATA files''' [https://www.github.com/djeanner/NMReDATA/tree | + | '''Set of ethanol NMReDATA files''' ([https://www.github.com/djeanner/NMReDATA/tree link to GitHub |
folder] | folder] | ||
Revision as of 09:25, 20 October 2017
Examples of NMR records and of NMReDATA files
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 ([https://www.github.com/djeanner/NMReDATA/tree link to GitHub folder]
- no NMR spectra + implicit and explicit H ~ simple
Androsten NMReDATA files ( [https://www.github.com/djeanner/NMReDATA/tree/master/examples_of_NMRrecords_and_nmredata_sdf_files/androsten_from_DFT_GIAO_calculation link to github folder])
- no NMR spectra + coupling network + very detailed description with assigned couplings ~ explicit H ~ complex
