Difference between revisions of "Submission NMReDATA"
From NMReDATA
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|- | |- | ||
|Damien Jeannerat | |Damien Jeannerat | ||
| − | |Mnova | + | |Mnova script exporting NMReDATA |
| − | |V1 | + | |V1 (see below) |
|write | |write | ||
|write | |write | ||
Revision as of 22:39, 20 December 2017
When possible, authors should submit NMR Records for all assigned compounds.
| Developer | Company/Software | Version | NMReDATA | NMR Record |
| Bruker | Bruker/CMCse | write | write | |
| ACD/Lab. | ACD/Lab. Spectrus | version 2017.2 and later | ||
| Damien Jeannerat | Mnova script exporting NMReDATA | V1 (see below) | write | write |
| Developer | Company/Software | Version | NMReDATA | NMR Record |
| Mestrelab | Mestrelab Mnova |
A script written for Mac converting Mnova files to nmredata.sdf files and generating NMR records (when the spectral data are at their original locations) was written by Damien Jeannerat. It is available on github. If is probably also working on linux systems. It requires Mnova to be installed because it relies on Mnova script for the generation of the NMReDATA.
When authors cannot generate data, they should submit:
1) A zip file, including the NMR spectra (all the files including also FID's, acquisition and processing parameters) 2a) A Mnova file (with the assignment on all 1D and 2D spectra, and analysis of the multiplet) or 2b) An excel sheet containing the NMReDATA (download template).
