Multiplets
Updated for version 3.2.4
Adding Multiplets
You can add multiplets by picking and selecting the peaks that make up a multiplet. Then either right-click on one of the peaks and select New Multiplet or use the keyboard shortcut AM. Multiplets are shown by a cross with a circle round it and lines linking it to all constituent peaks. A multiplet’s chemical shifts are simply the averages of the chemical shifts of its constituent peaks. It’s height and volume are the sum of the heights and volumes of its constituent peaks. Multiplets can be added to any 1D or ND spectrum.
Marking Multiplets
You can place marks through one or more selected multiplets either by right-clicking on one and selecting Mark Multiplets or with the shortcut UM. The shortcuts UX, UY, UZ and UW will place marks only along the X, Y, Z(1) and Z2 axes of the selected multiplets.
Multiplet Lists
Multiplet lists are nested below spectra along with Peak Lists. Open a multiplet list by dragging it into the drop area. At the top you will see a list of the multiplets and below a list of the peaks making up the selected multiplet(s). You can select multiplets and peaks as normal. Selecting them in the table also selects them in your spectra and you can double-click on any of them to navigate to that position in your spectra.
Assigning Multiplets
Multiplets themselves do not have assignments, but the constituent peaks do. If you assign one peak in a multiplet, then other peaks will be assigned in the same way automatically. Similarly, if you create a mutliplet from two peaks with different assignments, or where only one is assigned, then the assignments will each be copied to the other peaks when you create the multiplet.
Selecting the peaks in a multiplet
By double-clicking on a multiplet in a spectrum (or several if also holding down the Ctrl/Cmd key) you will select all the constituent peaks.
Merging Multiplets
You can select a mutliplet and any other number of multiplets or peaks and merge them into a single multiplet by right-clicking on a multiplet and selecting Merge Multiplets.
Multiplet Peak Picker
We have introduced a 2D multiplet peak picker. If you go to File / Preferences and then go to the Peaks tab, you can set your Default nD peak picker to be PeakPicker2DMultiplets. This will act exactly the same way as our normal PeakPickerNd peak picker, but for 2D spectra it will automatically group close peaks (closer than 0.015 ppm for 1H and 0.1 ppm for 15N/13C) into multiplets.
