Spectrum file

The spectrum file is a plain ASCII file with the spectrum signal stored in the following way. The wavenumber scale is given by the starting (StartWavenumber) and ending wavenumber (EndWavenumber) and the number of data points (Points). This is followed by the list of the absorption intensity at individual wavenumber points.

If the LWW is to be run with the experimental spectrum displayed, the spectrum file has to be prepared in this format prior to starting the project. However, the program can be started without it. In this case the experimental spectrum can be substituted with a simulated spectrum generated from the peaklist.

Example of the beginning of the Spectrum file:

Spectra Data File
StartWavenumber  230.01014100
EndWavenumber  299.89989000
Points  222666
Intensity List:
0.9012
0.9233
0.8570
0.7643
0.7408