Options

• Preference

  It saves the configuration information about Property, Spectra, and Miscellaneous.

  • Constant

    It sets a default of constant property unit that is displayed on the MolInstincts Navigator.

  • T Dependent

    It sets a default of temperature-dependent property unit that is displayed on the MolInstincts Navigator.

  • Spectra - IR / VCD

    • Scaling Factor: It sets a default value of scaling factor that determines the position of spectra peak.

    • FWHM (Full Width at Half Maximum): It sets a default of half maximum that determines the width of spectra peak.

      

    • Peak Normalization: It shows the maximum peak by adjusting to 100. It sets a default depending on whether or not box is checked.

  • Spectra - NMR

    It sets a default value to display a relative value in comparison with reference material for each element.

    • C: TMS 189.7191 ppm, CH4: 192.99 ppm

    • H: TMS 32.1745 ppm

    • N: NH3 254.9679 ppm, CH3NO2 -118.017 ppm

    • O: H2O 316.5755 ppm

    • S: CS2 532.4822 ppm, (NH4)2SO4 225.4803 ppm

  • Misc

    It sets the default value for the information to save when running DataExport.
    It is possible to choose from Formula, Molecular Weight, and Name.