3D Spectrum viewer

You can display a 2D NMR in 3D just by clicking on the 3D Spectrum Viewer button:

In this dialog, the 3D spectrum is displayed on the left and a panel with two plots of the corresponding internal current traces (f2 and f1) is displayed on the right. The current internal traces can be changed by using the sliders or by editing the corresponding values in ppm (the default value is the highest one on the spectrum scale).

Zoom in and out can be done by dragging the mouse wheel forward or backward. 3D spectrum can be rotated by left-clicking and dragging the mouse. The traces can be selected graphically by right-clicking on a peak on the surface. The peak is highlighted with a red ball (same color as the traces on the canvas) and can be deselected by right-clicking anywhere on the surface:

Loading a stacked plot of 1D NMR spectra will also display the result in the 3D viewer:

The active spectrum can be found in the left panel. You can use the spinbox or the slider to select the active spectrum (which will be updated in canvas):

Pure 3D-NMR spectra can also be loaded:

If you have peaks displayed in the 2D plot, those peaks labels will appear as well in the 3D viewer (with the same colour as the 2D peak labels):

If you do not want to display the peak labels in the 3D viewer, just uncheck the 'Show Peaks' box.

When the "Show Spectrum" option is unchecked and "Show Peaks" is checked, only the peaks will be displayed in the viewer:

When "Show frames" is checked and a plane is chosen, only the peaks that belong to that plane are shown, so that when the plane is changed, you can see the change of the peaks shown in the frame.

As you can see i the picture above, the 2D slices have a check box to be selected. When no 2D slice is selected, the full 3D spectrum is displayed, but when any 2D slice is selected, the corresponding 2D plane is displayed.

When no plane is selected, all peaks and frames are displayed.

You can select which 2D plane is shown in canvas by using the '3D panes' scroll down menu from the View ribbon or from the 'Spectrum' toolbar:

Use the blue arrow buttons, the spin box or the slider to navigate though the 2D panes in the canvas.

Shortcuts are available for these arrow buttons:

- Shift+Down to Previous 2D plane

- Shift+Up to Next 2D plane

- Alt+Down to First 2D plane (in the corresponding slice)

- Alt+Up to Last 2D plane (in the corresponding slice)

An 'Opacity' slider will allow you to modify the transparency of the colors, to help you to detect the signals with the highest intensity in the spectrum.

In the canvas, the X and Y axes correspond to the dimensions of the specific 3D view, and the chemical shift of the third dimension is displayed at the bottom right.

When you right click (and hold down) on the peak, the spectra cross peaks and frames disappear from the panel and the peak will be highlighted (as a light blue ball), with the corresponding label (with 3D coordinates).

Releasing the right click button will recover the spectra crosspeaks (and frames) but keeping the highlighted peak:

When a peak is selected in the canvas, the same peak will be highlighted in the "Peaks" table and in the "3D Spectrum Viewer":

When a row of the peaks table is selected (by double clicking on it), two cross lines with the corresponding values will be displayed on the canvas (no peaks will be highlighted in the 3D viewer or in the canvas and the zoom in the 3D viewer will be the same as in the canvas and the the panel windows).

Please note that when zooming/panning in the canvas, the 3D NMR viewer will be updated.

Use the toggle button to show/hide the right panel. You can export the 3D spectrum as an image file by using this button:

Click on the Help button to display the shortcuts for the 3D viewer: