I have my original data of FTIR in T % and when I performed deconvolution on Origin software it converts into the Absorbance scale. The other thing is before deconvolution it contains one peak but after deconvolution, it showed 2 peaks i.e. the shape is totally different from the original spectra. Can anyone explain these phenomena?
Absorbance scale is probably set to be default in Origin. Haven't worked with it, but in OPUS I can chose what scale to use. All of the date is there, just a different scale.
About those 2 peaks in deconvolution - it is actually expected to gain more peaks than in original spectra. In normal spectra if it's a biological sample most of the peaks will be a superposition of multiple smaller ones that will show up once spectra is deconvoluted. If it's a single compound then it is probably happening due to 2 bonds having similar absorbance energies, thus in normal spectra they overlap an show as one peak but in deconvoluted one as 2 separate.
Deconvolution like resolution of bands envelope in separate bands - is a self fulfilling artificial method - when the final result strongly depends on spectral parameters you submit to the spectral-manipulations-program. In other words - deconvolution is some sort of approximation and can easily give you an erroneous result.
- Badges
- Science topic