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The step above makes the crossrelaxation rates σi,j in a correct mutual proportion. The actual values can be still inaccurate due to inaccurate reference distance, rRef in Eq. 1, or rather σRef being not correctly proportional to the rRef due to spin diffusion or other effects. It is therefore recommendable to correct the median of the measured distances such that it corresponds to the distances conserved among these organic molecules: around 4.2 Å for intramolecular distances and 4.4 Å for the intermolecular distances. When correcting the derived distances, we include a constant to multiply the distances in order to obtain the desired median.
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Task 2: Redo the normalization
a:
- Calculate the normalized NOE buildups, by dividing the original ones by the geometric mean of the diagonal decays:
NOEij,Norm= NOEij/(Decayi*Decayj)^(1/2)
The tables "diagonal peaks intensities of the ligand (autorelaxation)" are conveniently sorted for this task.
NMR2
NMR2 runs via the platform SAMSON.
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