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A new method for the rapid deconvolution of partially resolved spectra
Author(s) -
Brenton A. Gareth,
Lock Christopher M.
Publication year - 1995
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.1290090208
Subject(s) - deconvolution , chemistry , spectral line , parameterized complexity , a priori and a posteriori , range (aeronautics) , noise (video) , energy (signal processing) , algorithm , resolution (logic) , process (computing) , biological system , analytical chemistry (journal) , computational physics , computer science , statistics , artificial intelligence , chromatography , physics , mathematics , philosophy , materials science , image (mathematics) , epistemology , astronomy , composite material , biology , operating system
Abstract A rapid and simple method for deconvolution of partially resolved spectra has been developed. The algorithm is simple, extremely fast, and capable of deconvolving 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.