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On 20/07/10 20:11, Tim Stevens wrote: >> in the NOE Contributions panel, how are the Total Weighted Combined >> deltas calculated? Is the distance included? Can I use it a a somehow >> "hard" criteria for the assignment? Or is it more a guideline? > > This is the tolerance weighted shift delta. Distance is not included. > > The actual calculation is to take the shift difference for each dimension > and divide by the tolerance for that dimension (normalise to be <= 1.0). > All dimensions are then combined by taking the square root of the sum of > squares, i.e. to give a "shift distance". The maximum will be > sqrt(numDims). As long as your shift tolerances are set appropriately it > can be used as a "hard" criterion. > > In contrast, structure distances are included, if available, in the > default table rank/order but the underlying absolute value for this is not > especially meaningful. > > T. Thanks for the explanation, Tim. justin -- Justin Lecher Institute for Neuroscience and Biophysics ISB 3 - Institute for structural biochemistry Research Centre Juelich GmbH, 52425 Juelich,Germany phone: +49 2461 61 5385