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Isotopomers with a smaller relative abundance than this will be ignored

Select a set of sub-options

Strong-coupling threshold for approximate calculations.

Size to start approximate calculations.

Method used for approximating large systems.

Threshold (J/∂) beyond which Perturbation Theory can be used. Set to zero to disable PT treatment

Check if you also want to use symmetry with assignments ("By Names" only!)

Select "By Values" to detect symmetry based on numerical values of all parameters, or "By Names" to use user-defined variable names only

Theoretically, NMR peaks should be Lorentzian. You could choose Gaussian if you have applied artificial line narrowing

Include coupling to quadrupolar nuclei ? If not checked, quadrupolar isotopes will be ignored

Anisotropic (partially oriented) spectra are usually observed in liquid-crystalline solvents only

The chemical-shift scale can be in either ppm or Hz. Couplings are always expressed in Hz

Spectrometer frequency for 1H, should be "exact". You cannot compare with experimental spectra having a different spectrometer frequency

Define a title, which will be used in all output

Activate these File Options

Discard any changes to the File Options

Change options that affect all windows of a file