in the toolbar at the top. The "Add Peak" dialog will be displayed.You can edit the peaks directly in the peak list using the keyboard: (If the peak list is currently not displayed, please select the "peak list" command from the "View" menu or press <Ctrl+L>).
Add Peak: If you would like to add a peak, please select the "Add peak(s)" command from the "Peaks" menu or press the corresponding button in the toolbar at the top. The "Add Peak" dialog will be displayed.
Please select if your data are 2theta, d-values or 1/d on the right-hand side of the dialog first. Afterwards, write the peak 2theta/d-value, the intensity and the FWHM in the corresponding fields. If you do not want to provide the FWHM value for each separate peak,
you can activate the corresponding option below.
If you press the "Add peak" button afterwards, the peak will be added to your peak list, however, the dialog will remain open so that you can enter the next peak.
If you realize that you have accidentally entered a wrong peak after you have pressed the "Add" button, you can remove the corresponding peak again by pressing the "Delete previous" button.
Once you have finished entering peaks, please press the "Quit" button. The dialog will be closed.
Edit Peak Position: If you would like to edit a peak position of the experimental pattern, please activate the corresponding field in the first column of the peak list by double-clicking on it. The field will switch to the "Edit" mode. You can now enter the new value for the peak position. When you are finished, press "Return" or click on another field. Both the diffraction pattern and the candidate list will be updated immediately.
Edit Peak Intensity: This works similar to the editing of the peak positions: Activate the corresponding field in the second column of the peak list by double-clicking on it; the field will switch to the "Edit" mode. You can now enter the new value for the peak intensity. When you are finished, press "Return" or click on another field. Both the diffraction pattern and the candidate list will be updated immediately.
Edit FWHM: This works similar to the editing of the peak positions and intensities: Activate the corresponding field in the third column of the peak list by double-clicking on it; the field again in order to switch to the "Edit" mode. You can now enter the new FWHM value for the peak. When you are finished, press "Return" or click on another field. Both the diffraction pattern and the candidate list will be updated immediately.
Mark peak(s): You can mark individual peaks simply by clicking on the corresponding line(s) in the peak list using the left mouse button. If you keep the Shift or Ctrl button (Cmd button on the Mac) on your keyboard pressed while doing this, you can select more than one individual peak. The lines of the marked peaks are displayed inverted. Note that marked peaks are also indicated in the diffraction pattern by a small triangle displayed at the top of the peaks.
Invert peak mark(s): If you would like to mark all but a few peaks, you should use the "invert peak marks" facility: First, mark the few peaks you do not want to mark, then press the right button to open the peak list's context menu, and select the "Invert selection" command from this menu.
Delete peak: In order to delete one or more peaks, you first have to mark the corresponding peaks (see above). Once you have marked one or more peaks, please execute the "Delete" command from the "Peaks" menu, or right-click in the peak list (in order to open the context menu), and select the command from the context menu.
Deactivate peak(s): You can deactivate individual peaks of the unknown sample's pattern so that they are not taken into account during the search-match (figure-of-merit) calculation. This is e.g. useful if you are not sure about a certain peak and would like to check what would be the result of the search-match without this peak. In order to deactivate one or more peaks, you first have to mark them (see above). Afterwards, please open the peak list's context menu (by pressing the right mouse button on one of the marked peaks), then select the "Deactivate" command from this menu. The candidate list will immediately reflect the change in the FoM-values of the entries. However, you should perhaps perform a complete new search-match operation in order to check if there are new matching entries! Please note that deactivated peaks are displayed in light grey color.
Activate peak(s): You can reactivate individual peaks of the unknown sample's pattern you have deactivated earlier. Please mark the corresponding peaks, then open the context menu (press the right mouse button on one of the marked peaks), and select the "Activate" command from this menu.
Please note: After editing the strongest peak you may want to run the Scale relative intensities command from the "Peaks" menu, in order to adjust the maximum relative peak intensity to a value of 1000.0 .
See also: