This popup displays a table of all of the resonances in a given shift list of the project. The table in the popup can be sorted and filtered using various criteria, and the user can modify resonances, e.g. to delete, assign, deassign, merge and split. In addition peaks associated with resonances can be directly inspected in the spectra using the popup's navigation tools.
The Resonance: Resonance Table popup.
This section provides the selection options for displaying resonances in the resonance table.
Specifies the chemical shift list used for selection of resonances in the current project, the options consist of all the chemical shift lists in the project and 'None'. The displayed resonances are those that have a shift within the selected shift list or, if None is selected, the resonances are those that have no shifts within any shift list.
Used to display resonances derived from a particular isotope. The "Any" option may be selected to display all resonances, regardless of isotope and the "unknown" option is used to display resonances without a specified isotope.
Selects resonances to be displayed according to their assignment status. Options are:
Any
Assigned
Unassigned
Orphaned
Orphaned resonances represent those which are not connected to any peaks. This option may be used to clean up a project of resonances that are no longer in use.
Specifies the chain to use for selection of resonances. Only those resonances that are connected to this chain will be listed.
Specifies the CcpCode to use for selection of resonances. Only resonances of residues of the CcpCode type will be listed.
This section lists the Navigation and Marks options.
Strips the selected resonances in the spectrum window specified in Window.
Navigates to the position of the selected resonance in the spectrum window specified in Window.
Specifies the spectrum Window in which to navigate and to create strips and cells with [Strip Selected].
Marks the selected resonances in all windows.
Clears all marks in the windows.
The table lists all the resonances that are selected by the selection options.
The resonance serial number.
The chemical shift of the resonance in the selected shift list. The shift value can be edited only if the resonance is not connected to any peaks under the current shift list.
The standard deviation of the chemical shift of the resonance in the selected shift list.
The assignment name for the resonance.
The assigned residue for the resonance, if assigned.
The isotope of the resonance.
An alternative name for the resonance.
The total number of peaks under all shift lists that a resonance is connected to.
The number of peaks under only the selected chemical shift list that a resonance is connected to.
The number of the spin system the resonance belongs to.
Removes all atomic assignments from the currently selected resonances. This does not affect the connection of these resonances to crosspeaks, nor does it affect any assignments of the resonances to spin systems.
Assigns the selected resonance to an atom and/or spin system using the Molecules: Atom Browser.
This button opens the Molecules: Atom Browser popup to assign the selected resonance to an atom type. In order to assign an atom type, e.g. a Cg, you can pick any Cg in the list of atoms in the atom browser.
Add the currently selected resonance to a spin system through the Resonance: Spin Systems popup. If the resonance is assigned, but the selected spin system is not, then the spin system will be assigned based on the resonance.
Removes the currently selected resonances from any spin systems that they may be associated with. This does not affect any atomic assignments that the resonances may have.
Swaps the assignment of prochiral atom sets.
Removes stereo specific assignments from prochiral atom sets.
Deletes the currently selected resonances.
Deletes the shifts of the orphaned resonances in the currently selected shift list. Orphaned resonances are those that have no connections to any peaks for the current shift list. The resonances and their shifts will also be deleted if the deletion causes the resonance to have no shifts in any shift list.
Merges the currently selected resonances into one resonance. All of the objects to which the resonances were connected (peaks etc.) will become connected to the resultant, merged resonance. The chemical shift values associated with the merged resonances will be averaged if the shifts are in the same shift list.
Splits the currently selected resonances into 2 resonances by creating a new resonance. All information except the assignments will be copied from the original resonance to the new resonance.
Displays all of the peaks in all shift lists assigned to the currently selected resonances using the Peaks: Selected Peaks popup.
Displays the peaks in only the selected shift list that have assignments to the currently selected resonances using the Peaks: Selected Peaks popup.