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MCRC software: A tool for chemometric analysis of two-way chromatographic data

Jalali Heravi, M ; Sharif University of Technology | 2010

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  1. Type of Document: Article
  2. DOI: 10.1016/j.chemolab.2010.08.002
  3. Publisher: 2010
  4. Abstract:
  5. This paper describes the development and implementation of MCRC software, chemometric software for Multivariate Curve Resolution of two-way Chromatographic data. MCRC software is developed for chemometric analysis of chromatographic data; however, it may also be used for other types of multivariate data. It consists of five groups of techniques for preprocessing, chemical rank determination, local rank analysis, multivariate resolution and peak integration. This software has the ability of the analysis of complex multi-component chromatographic signals of gas chromatography-mass spectrometry (GC-MS) and high performance liquid chromatography-diode array detection (HPLC-DAD). The software allows a user to apply the implemented methods in an easy way and it gives a straightforward possibility to visualize the obtained results. The main features of the presented software are providing a number of preprocessing techniques, implementation of different chemical rank determination methods, usage of iterative and non-iterative resolution techniques and a user-friendly environment with a variety of graphical outputs. The implementation of the MCRC software is demonstrated by the analysis of an overlapped peak cluster of simulated GC-MS data
  6. Keywords:
  7. Chemometrics ; Chromatography ; Graphical user interface ; MCRC software ; Multivariate curve resolution ; algorithm ; article ; chemometric analysis ; computer interface ; computer simulation ; controlled study ; data analysis software ; diode ; high performance liquid chromatography ; intermethod comparison ; mass fragmentography ; mathematical computing ; microarray analysis ; priority journal ; process development ; process optimization ; signal processing
  8. Source: Chemometrics and Intelligent Laboratory Systems ; Volume 104, Issue 2 , 2010 , Pages 155-171 ; 01697439 (ISSN)
  9. URL: http://www.sciencedirect.com/science/article/pii/S0169743910001413