Digital filters have become very common for smoothing and Altering of noisy chemical data. Many papers have appeared on the use of Alters for optimizing slgnal-to-nolse or for optimizing signal shape retention during the process of noise removal. In contrast, little work has been aimed at optimizing the Alter to retain as much of the Information present In the data while removing as much of the noise as possible. This paper reports a simple approach for optimizing digital Alters of several types. The optimization criterion used here Is based on the Informational entropy of the smoothed signal. It Is demonstrated here that, for many forms of data, a filter optimized by maximizing the Informational entropy, but without knowledge of the true signal shape, performs as well as an equivalent, optimal finer optimized with the aid of prior knowledge of the signal shape. Filers optimized by maximizing the Informational entropy have applications where accurate reconstruction must be accompanied by significant Increases In slgnal-to-nolse ratios of noisy, but unknown data. The maximum entropy optimization process Is demonstrated on several different dlgHal fitters.
02) Gouveia, M. A.; Seabra e Barros, J.; Tavares, M. J.; Freitas, M. C. J (G4) Routh, M. W. Spectroscopy 1987, 2, 45-52. (G5) Ottaway, J. M.; Littlejohn, D.; Marshall, J. Fortschr. Atomspektrom. (G6) Matuslewlcz, H. Chem. Inz. Chem. 1986, 76, 75-90. (G7) Willoughby, E. J. Commun. Sol Scl. Plant Anal. 1986. 77, 667-677. (G8) Sanz-Medel, A.; Rodriguez Roza, R.; Gonzalez Alonso, R.; Nova1 Valli-(G9) Kratochvil, B.; Motkosky, N.; Duke, M. J. M.: Ng., D. Can. J . Chem.the detailed discussion of computers is somewhat beyond the scone of the review as defined above. a decision was made not Steven D. Brown received his 0.5. degree in chemistry in 1972 and an M.S. in phyaC EaUnwgsnlC ChBmisbY in 1975. both from Pwtland-State Univer&, He obtained the m.D. degree in anawical chemistry from the University 01 Washlngton in 1978 working under the direction 01 Bruce KOwaiSkl. In 1978, he was appointed to the chemistry facuity at the University of California. where he held B joint appointment at the Lawrence m e l e y National Laboratory. He moved to 4 1 i Washington Slate Univer&in 1981. where he war Associate Prolesscr, prior to Ialning the chemistry faculty et the Unlverrny of Delaware In 1986. He is cunentiv AI SOCI --. --ate Professor 01 Chemistry and Operations Research. He I S also Associate Editor Of The Journal Of ChemomsWcs and serves on !he editorial boards of AnaWica Chimica Acta and Anaiyiicai Lstfers . His research interests encompass many aspects of the application Of Computers to chemical problems, including the areas Of real-time analysis, shoat ~rocesGinri. oo!imiratlan. mockling. and process control Todd 0. Barker obtained hi8 B S degree in Chemistry from the University of South Dakota in 1981 Afler working for the South Dakota Geoloaical Survev. he returned to the unker& 01 so&~Dakota. earning an M.A. in analytical chemistry in 1984. He began W.D. studies at Washington state universitv in 1984 and moved to the UniversW of &!aware in 1986 His re-, r L k search ihlere5ts include the development of Kalman finer* for reawme analysis and control and modeling 01 kinetics in flow in]ection anahsls. R a d J. LarlrN earned a B.A. deoree in chemistry from R i d e Island Coiiege in 1978. He began FhD. studies at Washington State Univerrltv ami moved to the LJniV-~~~~~ . ~. . ... ersity 01 Delaware in 1986. His research interests concern development of factor analysis methods fw investigBtion of metal speciation. S1.plrm L. Modre obtained a 0.5. degree in chembtry and computer Science from the University 01 Wisconsin-La Crasse in 1984. That year he moved to Washington State University. where he began Ph.D. studies in Chemistry. He moved lo Oehwars in 1986. where he Is now a graduate research assistant His research interests lie In dlgltal Riierlng. fuzzy matching. and rodeling. Hadan R. Wllk graduated trom Norm Carol!na State University wkh a 0.5. in chemical enginewing in 1984. After beginning his h.0. studies at Washlnglon State University. he moved I O the University Of Delaware h 19%. l i s research Werests lie in th...
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