Peaks

Every peak is characterized by a great many properties and it can often be useful to inspect each peak to check and modify these properties. There are two primary tools, aside from actually visualizing peaks on spectra, for this purpose. The Peak Inspector allows a detailed view of one peak at a time. The Peak Table, presents somewhat less information about each peak, but presents all the peaks in a list at once. The Peak Inspector is displayed by choosing the Peaks - Show Peak Inspector menu item. You can have multiple Peak Inspectors operational, to add additional ones choose Peaks - Add Peak Inspector menu item. Having displayed an inspector you must next select a particular list to display. Clicking the List: triangle will bring up a menu of all currently opened peak lists. Choose one from the list and the inspector will be populated with information from the first peak in that list. You can navigate forwards and backwards through the peak list by clicking the up or down arrows next to the peak id number. Alternatively type in a peak id number and hit Return to jump directly to that peak.

The Peak Inspector can also be set to display a particular peak directly from the spectrum display. Just let the mouse pointer hover over a displayed peak and press the spacebar. If the Peak Inspector is not already displayed it will this action will also display it.

Besides the buttons for navigating through the peak list, the top row of this interface provides a button for marking peaks as deleted, and for marking them as locked so their properties can't be changed. (BAJ, verify this). Clicking the Go button will jump the currently active window to display the plane containing that peak, and position the crosshairs at the positoin of the peak.

To keep the size of the Peak Inspector small, only a subset of the peak information is shown by default. This includes the peak label, the residue name, the chemical shift at the center of the peak. The peak intensity, peak volume and an optional comment are also displayed. Remember that peak volumes are not automatically calculated so don't be surprised if these are all set to zero.

Clicking the downward pointing arrow will expand the inspector to show additional information about the peak. This includes the peak width, bounds, coupling constant, resonance id number, user data, and an error field.

All the displayed fields are editable, with the exception of the residue name field. It will only be displayed if the peak dimension is assigned to a specific atom, and a residue sequence for the current molecule has been read in. To change an editable value type in a new value and hit the Return key. As soon as you start typing the field that displays the peak identification number will change so that its background is red, to alert you to an unsaved change. When you hit the Return key the red background will revert to the normal gray. To ignore a change just go on to the next peak without hitting Return.