Difference between revisions of "Submission NMReDATA"
From NMReDATA
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| + | |[https://www.dropbox.com/sh/ma8v25g15wylfj4/AAA4xWi5w9yQv5RBLr6oDHila?dl=0 NMR records] | ||
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Revision as of 14:46, 25 January 2018
When possible, authors should submit NMR Records for all assigned compounds.
| Developer | Company/Software | Version | NMReDATA | NMR Record | demostration records |
| Bruker | Bruker/CMCse | V. ? | write | write | |
| ACD/Lab. | ACD/Lab. Spectrus | V. 2017.2 and later | write (?) | write (?) | |
| Mestrelab | Mestrelab Mnova | ||||
| Damien Jeannerat | Mnova script exporting .mnova files | V.1.1 (see below) | write | ||
| Damien Jeannerat | Unix script | V.1 (see below) | write | ||
| Java + CDK | read/write | ||||
| Damien Jeannerat | Matlab/Octave Display record content | read | NMR records |
| 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).
