Peaklist file

The LWW program uses the peaklist file in a .csv (Comma separated values) format with each line containing information about one peak of the spectrum. Such file can be prepared in this format prior to starting the project and stored in the project directory. This is done by choosing Convert Peak List item from Tools menu. This procedure is fully flexible to allow input of any general peaklist text file, provided it contains at least the wavenumber and absorption intensity for each spectral line.

Here is an example of the original ASCII peaklist file

*********************************************************************
************************** PEAKS *****************************
*********************************************************************
* Transm= calculated transmittance value
* Peakpoin = value of the peak point
* DerSym = ratio of the derivatives at both side of the peak around
* maximum derivative value
* FootSym = ratio of the side lopes at both side of the peak
* Width = width of the line at half height
*Index Wavenumber Transm. Peakpoint DerSym FootSym Width
1 230.0014758 .9430 .8681 .8723 .8219 .00032
2 230.0026366 .8502 .8483 .1611 .0584 .00021
3 230.0040004 .9494 .9821 .7359 .5769 .00035
4 230.0053385 .9496 .9878 1.7446 1.7438 .00060
5 230.0068292 .8480 .8765 .9162 .8253 .00088

and the corresponding internal .csv file created by the utility program

Wavenumber=230.0014758,Intensity=.9430
Wavenumber=230.0026366,Intensity=.8502
Wavenumber=230.0040004,Intensity=.9494
Wavenumber=230.0053385,Intensity=.9496
Wavenumber=230.0068292,Intensity=.8480

After including the .csv PeakList file into the project in the step of Starting a New project, each line is extended by a flag carrying information about the number of transitions assigned to the peak (set to zero when the new project is started).

Wavenumber=230.0014758,Intensity=.9430,#Assgn=0
Wavenumber=230.0026366,Intensity=.8502,#Assgn=0
Wavenumber=230.0040004,Intensity=.9494,#Assgn=0
Wavenumber=230.0053385,Intensity=.9496,#Assgn=0
Wavenumber=230.0068292,Intensity=.8480,#Assgn=0