Peak Groups

Display Groups of Peaks Linked by a Root Assignment

This popup window is used to display the results of operations in Analysis that generate grouped peaks, usually linked by virtue of a common ‘root’ assignment. For example a selected set of peaks may be macthed to other peaks with similar positions in a spectrum dimension, where each group corresponds to a separate C-H or N-H position. For example the right-click window menu option “Locate Peaks::Match multiple peaks” generates such groupings to find rows or columns of peaks that share chemical shifts.

Whatever operation generated the groups, they are listed in ranked order in the table; best scoring at the top. The number of peaks in the group and any common assigment and position is also listed. The idea is that the groups are candidates for some searh or macthing process that the user triggered. The best scoring groups may be used to control the spectrum window display, thus displaying any peak matches, by using [Display Groups in Strips] after selecting an approprate window. This system is often used for NOESY experiments where resonances that are close in space share common sets of peak positions; they are close to the same set of other resonances.

Main Panel

Matched Peak Groups

Table 1
Rank The ranking of the peak group, comparing its score with others
Score The match score of the peak group
Num peaks Number of peaks within the matched peak group
Root Assignment The root (usually amide) assignment, common to peaks in a group
F1 position Average location of the group in the F1 dimension
F2 position Average location of the group in the F2 dimension

button Remove Groups: Remove the selected peak groups from the table

button Show Rulers: Show 1D positional ruler lines for the selected groups

button Delete Rulers: Remove any ruler lines previously added for peak group

button Display Groups In Strips: Display selected peak groups within strips of selected window

pulldown Target window: Selects the spectrum window in which to display strips & ruler lines

button Help: Show popup help document

button Close: Close popup

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