Dear Luis,

I never worked with Igor, but as far as I know the LabSolution IR software from Shimadzu provides both functions: differentiation and deconvolution are listed under "data processing functions" (cf. attached pdf @ page 15)

Kind regards, -Peter

Hello Luis,

For the second derivative calculation, under the analysis tab in Igor Pro, select differentiate, and repeat the procedure 2 times to get 2nd derivative. Make sure you smooth after each differentiation. For smoothing, choose Savitzki-Golay algorithm and 9 smoothing points. It is very straightforward.

For Fourier self deconvolution, as far as I know, there is no built in macro in Igor pro.

The EUROCHAMP-2020 european research infrastructure for atmospheric simulation chamber is freely distributing on his datacenter (led by Benedicte Picquet-Varrault ) a very efficient software dedicated to the deconvolution of FTIR spectra of mixture.

Developped by Mila Ródenas at CEAM (Centro de estudios ambientales del mediterráneo) this least-square fitting program is a stand alone application.

In my group we are using it on a daily basis and it has made our life so much simpler and our our results even more reliable.

You can download it here : https://data.eurochamp.org/anasoft/

Do not hesitate to register for free to be informed about updates and access hundreds of high quality gas-phase FTIR spectra.

If you use it and publish with it do not forget to acknowledge " the European Union’s Horizon 2020 research and innovation programme through the EUROCHAMP-2020 Infrastructure Activity under grant agreement no. 730997 " this is the only reward we request.

More info here on EUROCHAMP here : https://www.eurochamp.org/