What are the proper settings used in deconvolution of FTIR peaks? In OMNIC software for example we can find deconvoluted peaks by adjusting the following: Gaussian, Lorenzian, voigt & log normal. The sensitivity can either be: Low, medium or high. Baseline can be: constant, Linear, quadratic or cubic. The noise target & FWDHH can also be set to desired values. How are these choices made or combined resulting to an acceptably deconvoluted spectra?
That depends on your setup and what you are investigating.
If you investigate Gases or liquids, i.e. substances with Doppler and natural broadening, you will need at least Gaussian or even Voigt functions while if you have no Doppler (or other Gaussian) broadening mechanisms in your experiments, you can use Lorentzian functions.
The rest depends on your specific settings; if you want to be fully sure what you should take you can measure spectra of a simple, IR-absorbing gas molecule/liquid/solid (whatever you have in store) and try which curves follow your spectral bands best.
Hey, I have never used OMNIC myself, just some python scripts that used Gaussian functions. To verify the fits of those I just look at the residuals of the fitting to the original peak. My two cents on deconvolution is that it can be very difficult and overfitting can be an issue. It would be great to know a bit more about your experiment and as Jürgen Weippert suggests there are several considerations depending on what you are doing. For me I knew what peaks I would be fitting based on taking the second derivative of the FTIR spectral peak, and based on other similar work I knew I needed a Gaussian function, so varied the fitting of those to get the best result and tested the residual to see how appropriate the fit was. Hope that helps somewhat!
Idris Musa Tanimu Deconvolution of a composite peak into its individual peaks plays an important role in the interpretation of many types of graphs including XRD, XPS, FTIR, and PL etc. In this video, I have discussed how to deconvolute simple combined peaks, composite peaks and how to correct missing data in a given peak with the help of deconvolution. In the case you want to further ask about it, please do comment on the specific video, I'll respond to it shortly. I have provided the practice filee (OriginLab) here. Thanks
https://youtu.be/WX_X3XlbKRA