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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 [log in to unmask] (775)453-6605 ######################################################################## To unsubscribe from the CCPNMR list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCPNMR&A=1