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The Unscrambler
The Unscrambler® X is a commercial software product for multivariate data analysis, used for calibration of multivariate data which is often in the application of analytical data such as near infrared spectroscopy and Raman spectroscopy, and development of predictive models for use in real-time spectroscopic analysis of materials. The software was originally developed in 1986 by Harald Martens〔Harald Martens, Terje Karstang, Tormod Næs (1987) ''Improved selectivity in spectroscopy by multivariate calibration'' Journal of Chemometrics 1(4):201-219 〕 and later by CAMO Software.
==Functionality==
The Unscrambler® X was an early adaptation of the use of partial least squares (PLS).〔Abdi, H. (2003) ''Partial least squares regression'' In Lewis-Beck, M., Bryman, A., Futing, T. (Eds.). Encyclopedia for Research Methods for the Social Sciences. Thousand Oaks, CA Sage, pp. 1–17〕 Other techniques supported include principal component analysis (PCA),〔S. De Vries, Cajo J.F. Ter Braak (1995) ''Prediction error in partial least squares regression: a critique on the deviation used in The Unscrambler'' Chemometrics and Intelligent Laboratory Systems 30:239-245 (PDF )〕 3-way PLS, multivariate curve resolution, design of experiments, supervised classification, unsupervised classification
and cluster analysis.〔Kristian Helland (1991) ''UNSCRAMBLER 11, version 3.10: A program for multivariate analysis with PLS and PCA/PCR'' Journal of Chemometrics 5(4):413-415 〕
The software is used in spectroscopy (IR, (), Raman, MS, etc.], chromatography, and process applications in research and non-destructive quality control systems in pharmaceutical manufacturing,〔M.R. Maleki, A.M. Mouazen, H. Ramon and J. De Baerdemaeker (2006) ''Multiplicative Scatter Correction during On-line Measurement with Near Infrared Spectroscopy'' Biosystems Engineering 96(3):427-433 〕〔Tatavarti AS, Fahmy R, Wu H, Hussain AS, Marnane W, Bensley D, Hollenbeck G, Hoag SW. ''Assessment of NIR Spectroscopy for Nondestructive Analysis of Physical and Chemical Attributes of Sulfamethazine Bolus Dosage Forms'' AAPS PharmSciTech. 2005; 06(01): E91-E99. 〕 sensory analysis〔Yusop, S.M., O'Sullivan, M.G., Kerry, J.F. and Kerry, J.P. (2009), "Sensory Evaluation Of Indian-style Marinated Chicken by Malaysian and European Naive Assessors" Journal of Sensory Studies, 24: 269–289. 〕〔Yusop, S.M., O'Sullivan, M.G., Kerry, J.F. and Kerry, J.P. (2009), "Sensory Evaluation Of Chinese-style Marinated Chicken by Chinese and European Naive Assessors" Journal of Sensory Studies, 24: 512-533. 〕 and the chemical industry.〔Agustina Guiberteau Cabanillas, Teresa Galeano Díaz, Nielene María Mora Díez, Francisco Salinas, Juan Manuel Ortiz Burguillos and Jean-Claude Viré (2000) ''Resolution by polarographic techniques of atrazine–simazine and terbutryn–prometryn binary mixtures by using PLS calibration and artificial neural networks'' Analyst 125:909-914 〕〔Emilio Marengo,Elisa Robotti,Daniela Cecconi,Mahmoud Hamdan,Aldo Scarpa & Pier Giorgio Righetti (2004) ''Identification of the regulatory proteins in human pancreatic cancers treated with Trichostatin A by 2D-PAGE maps and multivariate statistical analysis'' Analytical and Bioanalytical Chemistry 379(7):992-1003 〕
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