On 20 Nov 2019, at 12:13, Vuister, Geerten (Prof.) <[log in to unmask]> wrote:

Dear Ken:

I forward your question to Luca, as he ultimately is the author of the Module.

Can I also suggest to next time pose your question on the CCPN forum (www.ccpn.ac.uk/forums), as this way we keep version-2 and version-3 things separate.

Best

Geerten Vuister

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Prof. Geerten W. Vuister

Chair in Structural Biology
Chair of Collaborative Computational Project for NMR (CCPN)

Honorary professor University of Birmingham 

Department of Molecular and Cell Biology

Leicester Institute of Structural and Chemical Biology
University of Leicester
Henry Wellcome Building, Lancaster Road
Leicester, LE1 9HN, United Kingdom

Phone: +44 116 229 7076
Email: [log in to unmask]

http://www2.le.ac.uk/departments/molcellbiol
http://www.ccpn.ac.uk

On 18 Nov 2019, at 15:14, Ken Cameron <[log in to unmask]> wrote:

Hi all,

 

Can anybody help with the values that v3 shows for the 1H-15N CSP. The values look like they are just the Dd(H) and Dd(N) added together. I cannot find any documentation although I would have assumed the same equation as v2 would have been transferred. There is a relative contribution which is defaulted to a weighting of 7 for 1H and 1 for 15N. The CSP values are much too high for the usual RMS values used which make sit tricky to set cut-offs and to compare to previous data.

 

Thanks,

Ken

 

Senior NMR Scientist

Drug Discovery Unit

CRUK Beatson Institute

Garscube Estate

Switchback Road

Bearsden

Scotland G61 1BD

 

[log in to unmask]

Tel: 0141 330 6410

 

 

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