Difference between revisions of "Examples"
From NMReDATA
(Created page with "## 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/10.528...") |
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− | + | Examples of NMR records and of NMReDATA files | |
[See NMReDATA for details](http://nmredata.org/wiki) | [See NMReDATA for details](http://nmredata.org/wiki) | ||
− | + | benzopyrene record**: [link to zenodo | |
upload](https://doi.org/10.5281/zenodo.825777) / [direct download | upload](https://doi.org/10.5281/zenodo.825777) / [direct download | ||
of | of | ||
record](https://www.zenodo.org/record/1032533/files/compound1.zip) | 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) | 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 | file | ||
− | + | - assignment may not be complete (the NMReDATA file was type | |
manually) | manually) | ||
− | + | ~ Implicit H | |
Line 29: | Line 29: | ||
− | + | - no NMR spectra | |
− | + | + implicit and explicit H | |
− | + | ~ simple | |
Revision as of 08:16, 20 October 2017
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