While creating spin simulations, you can view and update spin systems, spin definitions and J-modifiers associated with the current compound, and view overall details on the current simulation.
The Spin Definition Sidebar view shows the currently selected spin definition which allows you to edit the properties, and create, edit or remove J-modifiers.
| Menu Location | View > Sidebars > Left Sidebar > Spin Definition |
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| Menu Location | View > Sidebars > Right Sidebar > Spin Definition |
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How do I edit a spin definition and J-modifiers using the Spin Definition view?
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Select a spin definition by clicking it in the Spectrum Graph, or by selecting it in the Spin Definition list.
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Click in any of the text fields and enter a new value to edit the number of protons, center or width of the spin definition.
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Edit J-modifiers by doing any of the following:
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Click Add... to add a new J-modifier to the current spin definition.
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Click Edit... to edit the selected J-modifier in the current spin definition.
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Click Delete to delete the selected J-modifier in the current spin definition.
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Tips and Tricks
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Double-click on a J-modifier to change its coupling constant and coupling status, including which spin definition the current one is coupled to, if any.
Related Topics
The bottom center pane in the Spin Simulator window displays the Spin Definition list and simulation details, i.e. information about the current simulation. Simulation details include the simulation frequency, numbers of spin systems and spin definitions (spins), and numbers of transitions present in the current simulation.
Tips and Tricks
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When you overlay a spectrum, the simulation frequency is set to match that of the spectrum overlay.
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When you do not have a spectrum overlay, you can change the simulation frequency in the simulation details to explore the effects of spectrometer frequency on your simulated compound.
Related Topics