Resolution enhancement in spectroscopy by maximum entropy fourier self‐deconvolution, with applications to Raman spectra of peptides and proteins

Abstract

AbstractThe method of maximum entropy extrapolation is applied to Fourier self‐deconvolution to enhance the inherently low resolution of the Raman spectra of peptides and proteins. Using computer‐simulated and real spectral data, a comparative study was made between the maximum entropy (MEM) and the conventional discrete Fourier transform (DFT) methods. The MEM provides better resolution with no side‐lobe formation, and is especially useful in the resolution enhancement of complicated Raman spectra of proteins. The MEM is also suitable for the spectral estimation of a short‐time record of noisy data, enabling the exposure time of protein solutions to the intense laser beam to be reduced significantly. The theory of maximum entropy spectral analysis is presented and the application of the techniques of digital resolution enhancement is discussed. It is pointed out that a combined use of different techniques should be made whenever possible in carrying out digital signal enhancement in order to reduce the chance of misinterpretation of spectral information.