Chemometric tools for LIBS analysis
- LIBS matures to a quantitative method for elemental analysis rather than a qualitative diagnostic tool. Numerous real world applications for bulk and microanalysis profit from instrumental and methodical advances in the last decade. Today, recording of numerous spectra from samples can be done with low experimental efforts and low cost per spectrum. Not surprisingly, LIBS data, with a high spectral resolution and a broad spectral range, become “big data” and can be utilized in different ways beyond elemental analysis. But, what is the generic or best approach for quantitative LIBS analysis? What techniques can be employed to gain new insights into data? Emergent information can arise through data fusion of LIBS data with other data, i.e. orthogonal spectroscopic or other information related to the sample. But are fused data better than data from a single method? This talk will provide an in-depth overview what chemometric tools can do for LIBS. For quantitative analysis,LIBS matures to a quantitative method for elemental analysis rather than a qualitative diagnostic tool. Numerous real world applications for bulk and microanalysis profit from instrumental and methodical advances in the last decade. Today, recording of numerous spectra from samples can be done with low experimental efforts and low cost per spectrum. Not surprisingly, LIBS data, with a high spectral resolution and a broad spectral range, become “big data” and can be utilized in different ways beyond elemental analysis. But, what is the generic or best approach for quantitative LIBS analysis? What techniques can be employed to gain new insights into data? Emergent information can arise through data fusion of LIBS data with other data, i.e. orthogonal spectroscopic or other information related to the sample. But are fused data better than data from a single method? This talk will provide an in-depth overview what chemometric tools can do for LIBS. For quantitative analysis, pre-processing tools are essential to improve precision, accuracy, and reproducibility but at the same time their application to data is still based on phenomenological criteria. Multivariate analysis seems to dominate LIBS, but are there drawbacks on using all information from spectra. For different data sets from real applications, the use of multivariate calibration and (un)supervised pattern recognition will be discussed in comparison with reference analytical methods and possible improvements through plasma diagnostics and modelling.…
Autor*innen: | Ulrich PanneORCiD |
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Koautor*innen: | Igor B. GornushkinORCiD, Jens RiedelORCiD |
Dokumenttyp: | Vortrag |
Veröffentlichungsform: | Präsentation |
Sprache: | Englisch |
Jahr der Erstveröffentlichung: | 2016 |
DDC-Klassifikation: | Naturwissenschaften und Mathematik / Chemie / Analytische Chemie |
Freie Schlagwörter: | Analytical method; Chemometrics; LIBS |
Veranstaltung: | 9th International Confrence on Laser-Indusced Breakdown Spectroscopy (LIBS) |
Veranstaltungsort: | Charmonix-Mont-Blanc, France |
Beginndatum der Veranstaltung: | 12.09.2016 |
Enddatum der Veranstaltung: | 16.09.2016 |
Verfügbarkeit des Dokuments: | Datei im Netzwerk der BAM verfügbar ("Closed Access") |
Datum der Freischaltung: | 13.06.2017 |
Referierte Publikation: | Nein |
Eingeladener Vortrag: | Nein |