A NEW METHOD FOR THE RAPID DECONVOLUTION OF PARTIALLY RESOLVED SPECTRA

A rapid and simple method for deconvolution of partially resolved spectra has been developed. The algorithm is simple, extremely fast, and capable of deconvoluting whole spectra in real time on a fast personal computer. The technique has been evaluated using known test spectra whose resolution has been purposely degraded. The original spectra were reproduced accurately, both in the positions and the intensities of the individual peaks they contained. The method was initially developed for translational energy spectroscopy (TES), where there is little a priori information on the spacing and widths of individual peaks in a spectrum. Examples are given for actual experimental TES spectra of varying complexity and signal-to-noise ratios. Four key variables are required as input before the programme can be executed; these have been parameterized for a range of conditions and typical values have been established. The procedure may be well suited as a rapid pre-screening process before more elaborate techniques are used and it can be applied widely, for example to deconvolute electrospray mass spectra.