Consiglio Nazionale delle Ricerche

Tipo di prodottoArticolo in rivista
TitoloMultivariate calibration in Laser-Induced Breakdown Spectroscopy quantitative analysis: The dangers of a 'black box' approach and how to avoid them
Anno di pubblicazione2018
  • Elettronico
  • Cartaceo
Autore/iSafi A.; Campanella B.; Grifoni E.; Legnaioli S.; Lorenzetti G.; Pagnotta S.; Poggialini F.; Ripoll-Seguer L.; Hidalgo M.; Palleschi V.
Affiliazioni autoriApplied and Laser Spectroscopy Laboratory, Institute of Chemistry of Organometallic Compounds, Research Area of National Research Council, Via G. Moruzzi, 1, Pisa, 56124, , Italy; Department of Analytical Chemistry and Food Science, University of Alicante, Apdo. 99, Alicante, E-03080, , Spain
Autori CNR e affiliazioni
  • inglese
AbstractThe introduction of multivariate calibration curve approach in Laser-Induced Breakdown Spectroscopy (LIBS) quantitative analysis has led to a general improvement of the LIBS analytical performances, since a multivariate approach allows to exploit the redundancy of elemental information that are typically present in a LIBS spectrum. Software packages implementing multivariate methods are available in the most diffused commercial and open source analytical programs; in most of the cases, the multivariate algorithms are robust against noise and operate in unsupervised mode. The reverse of the coin of the availability and ease of use of such packages is the (perceived) difficulty in assessing the reliability of the results obtained which often leads to the consideration of the multivariate algorithms as 'black boxes' whose inner mechanism is supposed to remain hidden to the user. In this paper, we will discuss the dangers of a 'black box' approach in LIBS multivariate analysis, and will discuss how to overcome them using the chemical-physical knowledge that is at the base of any LIBS quantitative analysis.
Lingua abstractinglese
Altro abstract-
Lingua altro abstract-
Pagine da46
Pagine a54
Pagine totali-
RivistaSpectrochimica acta. Part B, Atomic spectroscopy
Attiva dal 1967
Editore: Pergamon, - Oxford [etc.]
Paese di pubblicazione: Regno Unito
Lingua: inglese
ISSN: 0584-8547
Titolo chiave: Spectrochimica acta. Part B, Atomic spectroscopy
Titolo proprio: Spectrochimica acta.
Titolo abbreviato: Spectrochim. acta, B At. spectrosc.
Titolo alternativo: Atomic spectroscopy
Numero volume della rivista144
Fascicolo della rivista-
Verificato da refereeSì: Internazionale
Stato della pubblicazionePublished version
Indicizzazione (in banche dati controllate)
  • Scopus (Codice:2-s2.0-85044453559)
Parole chiaveArtificial Neural Networks, Calibration curves, Partial Least Squares Analysis, Cast iron, LIBS
Link (URL, URI)
Titolo parallelo-
Scadenza embargo-
Data di accettazione-
Note/Altre informazioni-
Strutture CNR
  • ICCOM — Istituto di chimica dei composti organo metallici
Moduli/Attività/Sottoprogetti CNR-
Progetti Europei-
Multivariate calibration in Laser-Induced Breakdown Spectroscopy quantitative analysis... (documento privato )
Descrizione: Published version
Tipo documento: application/pdf