Difference between revisions of "Examples"

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(Examples of NMR records and of NMReDATA files)
(Examples of NMR records and of NMReDATA files)
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== Examples of NMR records and of NMReDATA files ==
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= Examples of NMR records and of NMReDATA files =
 
   
 
   
 
'''benzopyrene record''': [https://doi.org/10.5281/zenodo.825777 link to zenodo upload]  / [https://www.zenodo.org/record/1032533/files/compound1.zip direct download of record]
 
'''benzopyrene record''': [https://doi.org/10.5281/zenodo.825777 link to zenodo upload]  / [https://www.zenodo.org/record/1032533/files/compound1.zip direct download of record]

Revision as of 08:27, 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: (link to GitHub folder)

- no NMR spectra
+ implicit and explicit H
~ simple

Androsten NMReDATA files (link to GitHub folder)

- no NMR spectra + coupling network + very detailed description with assigned couplings ~ explicit H ~ complex