Resonance : Resonance Info

Detailed Information About a Resonance’s Peak Assignments

This popup window shows the locations and identities of all of the peak dimensions to which a particular resonance is assigned, together with the averaged chemical shift values for the resonances derived from these assigned locations

The upper table lists the positions in the spectra that the resonance is assigned to. Thus, the user may see the complement of peaks that the resonance contributes to and what the chemical shift positions of these peaks are, in the relevant assigned dimension. This display is handy for identifying chemical shift outliers that may be indicative of a mistaken assignment.

The lower table shows the averaged chemical shift values that derive from the resonance’s assignment to the various peak dimensions. It should be noted that each peak dimension does not necessarily contribute equally to the shift average. The average is weighted by spectrum (and hence peak) dimension. By default this is even, but imprecise or ambiguous peak dimensions are often down-weighted and precise ones are up-weighted. The spectrum dimension weightings are set via the “Tolerances” tab, “Shift Weighting” column of main Spectra option.

Main Panel

button Show Peaks: For the peak assignments selected in the upper table show a table of the full peak records

button Clone: Clone popup window

button Help: Show popup help document

button Close: Close popup

Peak Assignments

A table of the peak dimensions, and hence positions, to which the current resonance is assigned

Table 1
Peak List The peak list of the peak to which the current resonance is assigned (experiment:spectrum:list number)
Peak The serial number of the peak, within its peak list, to which the current resonance is assigned
Dim The dimension number of the peak that the resonance is assigned to
Position The position of the peak dimension, typically in ppm units
Assignment The assignment annotation of the whole peak
Shift List The shift list name and number that the peak uses (via its experiment record)

Chemical Shifts

A table of the chemical shift values associated with the current resonance

Table 2
Shift List The shift list that records a chemical shift value for the resonance
Shift The (averaged) value of the chemical shift in this specific shift list
SD The standard deviation in the averaged chemical shift value

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