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IDAS: a Windows based software package for cluster analysis
Institution:1. CITIMAC, Facultad de Ciencias, Universidad de Cantabria, 39005 Santander, Spain;2. Institut Laue-Langevin, BP 156X, F-38042 Grenoble Cedex, France;3. School of Chemistry, University of Nottingham, NG7 2RD Nottingham, UK;4. ALBA Synchrotron Light Source, Cerdanyola del Vallés, Barcelona, Spain
Abstract:This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hardcopy text, comprising the main article and one appendix, is accompanied by two installation diskettes with the software package and data files. The main article discusses the chemometric aspects of the package and explains its purpose.The IDAS software package combines three cluster analysis methods (hierarchical, non-hierarchical and fuzzy) and runs under MS Windows. Modified algorithms for non-hierarchical and fuzzy clusterings are described. The interpretation of the clustering results is facilitated by the extensive use of different types of graph. New approaches to the graphical representation of the results of fuzzy clustering are proposed.Two data sets, the Iris data by Fisher and a data set on the chemical composition of tea, are used to demonstrate the capabilities of the software.
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