Abstract
Three software packages for specialized statistical analysis in the chemical laboratory are presented.
The first system MULTIVAR was developed between 1985 and 1988 as menu driven software package for multivariate statistical data analysis containing a collection of the most important algorithms for data scaling, factor analysis, multivariate regression and pattern recognition applications. An on-line help about every algorithm simplifies the use of the program for the chemist.
The second Program PLANEX was created between 1988 and 1990 as a research study about expert systems for method choice in statistics.
PLANEX realizes a dialog with the chemist about the mathematical speciality of optimal experimental designs. After that dialog generates PLANEX an optimal experimental design as a kind of laboratory worksheet on printer. The most optimal experimental plan is selected using a so called decision tree.
This support by a decision tree represented a higher level of software intelligence in comparison to MULTIVAR as a Poor collection of statistical algorithms.
A further level of software intelligence was implemented in the third program INTERLAB — an expert system for the evaluation of interlaboratory comparisons.
INTERLAB analyses stepwise and automatically given experimental data and offers at every stage of the analyses the optimal method from a pool of possible parametric and robust statistical tests, As result of the combination of this automatic data evaluation with a user — program — dialog as an overlay Process an exhaustive statistical analysis of interlaboratory test data is available.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Goldstein M, Dillon WR (1984) Multivariate Analysis, Methods and Applications, John Wiley and Sons, New York- Chichester-Brisbane-Toronto-Singapore
Fahrmeir L, Hamerle A (1984) Multivariate Statistische Verfahren, Walter de Gruyter, Berlin - New York
Varmuza, K (1978) Lecture Notes in Chemistry - Pattern Recognition in Chemistry, Springer-Verlag, Berlin-Heidelberg-New York
Sharaf MA, Illman DL, Kowalski BR (1986) Chemometrics, Wiley, New York-Chichester-Brisbane-Toronto-Singapore
Massart DL, Vandeginste BGM, Deming SN, Michotte Y, Kaufman L (1987), Chemometrics - a textbook, Elsevier Science Publishers, Amsterdam - New York
SPSSPC - Statistical Software Package for Social Sciences, (1985), SPSS Inc, User Manual
SAS Institute Inc (1982), SAS User’s Guide, Statistics, NC, SAS Institute, Inc
STATGRAPHICS - software package (1985) Statistical Graphics Corporation, User’s Manual, Graphic Software Systems Inc, Trademark of Statistical Graphics Corp
Wold S, Sjöström M, Carlson R, Lundstedt T, Hellberg S, Skagerberg B, Wikström C, Öhman J (1986) Multivariate Design, Anal Chim Acta 191:17
Wienke D, Jana A, Mikkeleit W, Danzer K (1988) Joint Calibration of Analyte and Disturbing Component instead of Their Separation, Vortrag auf der 4 Tagung Computereinsatz in der Analytischen Chemie (COMPANA”88), Jena, Tagungsband
Wienke D, Gitter M, Aures J, Byhan HG, Münch U, Pohl HJ, Danzer K (1989) Anal Chim Acta 223:247
Wienke D, Einax J, Baltes U, Danzer K (1991) Treatment of a class-in-class modelling problem in chemical pattern recognition, Anal Chim Acta, in print
Wienke D, Danzer K (1990) Application of the k-th Nearest Neighbour Pattern Recognition Method in Chemical Polyoptimization (Optative Vector Method), EUROANALYSIS CONFERENCE 1990 / COBAC 5, Vienna
Wienke D, Gitter M, Danzer K (1990) Glass Design by Multivariate Methods - the Software Package MULTIVAR for the Development of Heliovar SB, Wiss Zeitschrift der FSU Jena (Proceedings 4th International Otto-Schott-Coliogium of Glas Chemistry)
Wienke D, Pflug G, Danzer K, Dunken H (1987) Multivariate Techniques for Glas Structure Analysis, 5th Conference Solid State Analysis, TU Karl-Marx-Stadt, proceedings
Bandemer H, Näther W (1980) Theorie und Anwendung der optimalen Versuchsplanung, Band I-II, Akademie-Verlag, Berlin
Scheffler E (1984) Einführung in die Praxis der statistischen Versuchsplanung, VEB Deutscher Verlag für Grundstoffindustrie, Leipzig
Hartmann K, Lezki E, Schäfer W (1988) Statistische Versuchsplanung und Auswertung in der Stoffwirtschaft, VEB Deutscher Verlas für Grundstoffindustrie, Leipzig
Horwitz W (1989) J Assoc Off Anal Chem 72:145
Wank U (1990) INTERLAB - Ein Auswerte - und Beratungssystem für Ringversuche Diplomarbeit, Friedrich-Schiller-Universität Jena
Danzer K (1989) Fresenius Z Anal Chem 335:869
Sachs L (1984) Angewandte Statistik, Springer Verlag, Berlin - Heidelberg - New York - Tokyo
Walczak B, Morin-Allory L, Chretien JR, Lafosse M, Dreux M (1986) Chem Intell Lab Sys 1:79
Author information
Authors and Affiliations
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 1991 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Wienke, D., Wank, U., Wagner, M., Danzer, K. (1991). MULTIVAR, PLANEX, INTERLAB — From a Collection of Algorithms to an Expert System: Statistics Software Written from Chemists for Chemists. In: Gmehling, J. (eds) Software Development in Chemistry 5. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-76325-0_14
Download citation
DOI: https://doi.org/10.1007/978-3-642-76325-0_14
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-53532-4
Online ISBN: 978-3-642-76325-0
eBook Packages: Springer Book Archive