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Checking and Improving Calibration of Raman Spectra using Chemometric Approaches

Title data

Dörfer, Thomas ; Bocklitz, Thomas ; Tarcea, Nicolae ; Schmitt, Michael ; Popp, Jürgen:
Checking and Improving Calibration of Raman Spectra using Chemometric Approaches.
In: Zeitschrift für Physikalische Chemie : International Journal of Research in Physical Chemistry and Chemical Physics. Vol. 225 (2011) . - pp. 753-764.
ISSN 0942-9352
DOI: https://doi.org/10.1524/zpch.2011.0077

Abstract in another language

A wavenumber and intensity calibration procedure of Raman spectra by using chemometric techniques is presented. This approach allows the fine tuning of calibration parameters and routines with the final goal to eliminate setup dependent differences within experimentally recorded Raman spectra. This seems to be necessary since more and more Raman databases are needed for different analytical tasks, like identification of minerals or bacteria. Minimizing the impact of the applied experimental Raman setup on the reference (database stored) Raman spectra allows the databases to be enlarged very easily by feeding the database with Raman spectra recorded with different setups. Furthermore the chemometric analysis performance increases due to the larger number and better quality of reference spectra.

Further data

Item Type: Article in a journal
Refereed: Yes
Keywords: Raman spectroscopy; Wavenumber calibration; Intensity calibration; Chemometrics
Institutions of the University: Faculties > Faculty of Mathematics, Physics und Computer Science > Department of Computer Science > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie > Lehrstuhl Künstliche Intelligenz in der Mikroskopie und Spektroskopie - Univ.-Prof. Dr. Thomas Wilhelm Bocklitz
Result of work at the UBT: No
DDC Subjects: 500 Science > 530 Physics
Date Deposited: 19 May 2023 09:32
Last Modified: 19 May 2023 09:32
URI: https://eref.uni-bayreuth.de/id/eprint/76298