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Zeitschrift für Physikalische Chemie

International journal of research in physical chemistry and chemical physics

Editor-in-Chief: Rademann, Klaus

12 Issues per year


IMPACT FACTOR 2017: 1.144
5-year IMPACT FACTOR: 1.144

CiteScore 2017: 1.08

SCImago Journal Rank (SJR) 2017: 0.495
Source Normalized Impact per Paper (SNIP) 2017: 0.495

Online
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2196-7156
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Volume 225, Issue 6-7

Issues

Checking and Improving Calibration of Raman Spectra using Chemometric Approaches

Thomas Dörfer / Thomas Bocklitz / Nicolae Tarcea / Michael Schmitt
  • Friedrich-Schiller Universität Jena, Institute of Physical Chemistry, Saarbrücken, Deutschland
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Jürgen Popp
Published Online: 2011-04-07 | DOI: https://doi.org/10.1524/zpch.2011.0077

Abstract

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.

Keywords: Raman spectroscopy; Wavenumber calibration; Intensity calibration; Chemometrics

About the article

* Correspondence address: Friedrich-Schiller-Universität, Institut für Physikalische Chemie, Helmholtzweg 4, 07737 Jena


Published Online: 2011-04-07

Published in Print: 2011-07-01


Citation Information: Zeitschrift für Physikalische Chemie, Volume 225, Issue 6-7, Pages 753–764, ISSN (Online) 2196-7156, ISSN (Print) 0942-9352, DOI: https://doi.org/10.1524/zpch.2011.0077.

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