Publication detail

Cluster analysis of spectroscopic data in the principal component space

HOLUB, D. POŘÍZKA, P. KAISER, J.

Original Title

Cluster analysis of spectroscopic data in the principal component space

Type

conference proceedings

Language

English

Original Abstract

Laser-Induced Breakdown Spectroscopy (LIBS) is commonly used for mapping heterogeneous samples with unknown chemical composition. After adequate pretreatment of spectroscopic data and choosing the right chemometric methods, the visualization of individual matrices is obtained. However, the outcome from heterogeneous samples are blurred, non-distinct clusters. This phenomenon corrupts the possibility to distinguish individual matrices and provide proper clustering. The experiment is designed to simulate an interference, where two different matrices (or elements) meet. The ablation spot hits the boundary of these two compounds, in this case Iron (Fe) and Aluminium (Al), with controlled step and therefore known ablated Fe:Al ratio. The ratio between Iron and Aluminium is determined using Principal Components Analysis (PCA), clustering and computing the Euclidian distance between clusters. The data is pretreated using methods such as detecting and deleting outliers, different kinds of data standartization and several kinds of approximation.

Keywords

LIBS, Principal Component Analysis, Cluster analysis

Authors

HOLUB, D.; POŘÍZKA, P.; KAISER, J.

Released

23. 10. 2019

Publisher

Spektroskopická společnost Jana Marka Marci

Location

Ke Karlovu 2027/3, 120 00 Praha 2 - Nové Město

ISBN

978-80-88195-13-9

Pages from

208

Pages to

208

Pages count

293

URL

https://emslibs.com/wp-content/uploads/2019/09/b3.2.pdf

BibTex

@proceedings{BUT159467,
  editor="Daniel {Holub} and Pavel {Pořízka} and Jozef {Kaiser}",
  title="Cluster analysis of spectroscopic data in the principal component space",
  year="2019",
  pages="208--208",
  publisher="Spektroskopická společnost Jana Marka Marci",
  address="Ke Karlovu 2027/3, 120 00 Praha 2 - Nové Město",
  isbn="978-80-88195-13-9",
  url="https://emslibs.com/wp-content/uploads/2019/09/b3.2.pdf"
}