A program for the processing of analytical data (DPP) |
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Authors: | P. van Espen |
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Affiliation: | Department of Chemistry, University of Antwerp, U.I.A., Universiteitsplein 1, B-2610 Wilrijk Belgium |
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Abstract: | Computer-assisted interactive data presentation and analysis facilities are needed to handle the vast amount of information produced by automated instruments. The data processing program, DPP, presented here in a FORTRAN-77 program designed to solve this problem. The program is equipped with a leading verb command language for input and job scheduling, thus providing an efficient and user-friendly operator/program interface, and with a data-base organization that accommodates a wide variety of data structures. Data presentation and analysis procedures include tabulation and plotting, regression analysis, non-linear least-squares fitting, polynomial fitting, principal component analysis, hierarchal clustering and non-hierarchal clustering. Data matrices with up to 10 000 data points, distributed over a maximum of 3000 variables and 3000 samples, can be examined. Because of the open-ended structure of the program, it is straightforward to incorporate additional data analysis procedures when they are needed. Recent applications are discussed. |
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