Hi,

 

Does anyone know where I can find the algorithm used to calculate the weighted isotopic shifts in CCCPNmr (Follow shift Changes)? The formula described here in the Williamson paper uses a scaling factor in a formula to calculate distances. I suspect CCPNmr uses this same formula but I need to verify this.  

 

 

Williamson, M. P. (2013). Using chemical shift perturbation to characterize ligand binding. Progress in nuclear magnetic resonance spectroscopy, 73, 1-16.

 

 

Regards,

Robert

 

 

 

 

Robert Hammond

Ph.D. Candidate

Department of Chemistry

University of Alabama at Birmingham

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