Read Observed Spectra Data
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Dialog Box: Read Observed Spectra Data [Settings menu, Spectra Plotting Parameters]

This is for reading digital or digitized data for actual spectral curves, for display in the Spectra window. To input the numerical observed frequencies of individual modes, see Observed Wavenumbers in the Input Menu.

Isotope Configurations spin control. You can read spectra for up to three Isotope Configurations. The base configuration is number 1.

The spectrum in which the data will be shown is selected in the Read data for combo box. The data are expected to be in a text file, with the frequency in the first column - select the frequency scale with the Units radio box. The actual absorption (resonance) values may be in any of columns 2-6, as selected with the Data in column spin control. If a file contains data for more than one type of spectrum, you will have to read the file more than once, selecting different columns.

The Infrared resonance may be up, as usually shown in FTIR, or down, as usually shown in absorption spectra. You must select this correctly on reading the file - although you can select display as up or down in the Spectra Parameters dialog, that affects both observed and calculated data together.

You can Subtract a baseline or background value from the input spectrum. If minimum is selected the lowest value in the entire spectrum (or highest if Infrared Resonance is down) is subtracted.

The files from which the current values were read are shown at the bottom of the dialog.