Submission NMReDATA

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This is tentative proposition...

When submitting "letter - spectral assignments" to Magnetic Resonance in Chemistry NMR spectra (Spectra, FID's, acquisition and processing parameters) and the assignments have to be submitted together with the manuscript.

When possible, authors should submit NMR Records for all assigned compounds.

See "NMReDATAT-compatible software"

When authors cannot generate NMR records, they should submit:

1) The chemical structure(s) of the compound(s)
File(s) should be in the .mol format. (preference for mol 2000) They can be ziped to simplify submission.
2) The spectra (spectra + FID + acquisition and processing parameters as from the spectrometer manufacturer)
A zip file, including the folder containing the NMR spectra (all the files  including also FID's, acquisition and processing parameters)
For Bruker format, simply zip the "experiment" folder (i.e. the one including the numbered folders of the "experiment number")
3) The Assignment data
a2) 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).


The data should be submitted on ScholarOne (the Wiley submission website). In the "file upload" page (Step 6), select "Data Files" in the "Choose File Designation ..." pulldown menu and upload the zip file. In case of problem with the size of the file, deposit them on a cloud system and provide the link to the file in the manuscript.

Upon acceptance of the paper, the data will be make publicly available via the zenodo database or other completely open database as crude data and in the NMReDATA format.

See sheet "Example of NMReDATA form"