Material: Sedimentary ore

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2 articles found

Impact of Laser-Induced Breakdown Spectroscopy data normalization on multivariate classification accuracy

Author: Pořízka, P. ; et. al.

Journal: Journal of Analytical Atomic Spectrometry (2017)

DOI: 10.1039/C6JA00322B

Authors
Hrdlička, A. ; Kaiser, J. ; Klus, J. ; Novotný, J. ; Novotný, K. ; Prochazka, D. ; Škarková, P. ; Vrábel, J.

Keywords

Abstract

Multivariate data analysis (MVDA) is getting popular across the spectroscopic community. To assess accurate results, the obtained data should be preprocessed prior to utilization of any MVDA algorithm. The process of data normalization or “internal standardization” is widely used across a broad range of applications. In this manuscript we investigate the utilization of Laser-Induced Breakdown Spectroscopy (LIBS) coupled with MVDA. However, many articles regarding the use of MVDA on data from LIBS do not provide any information about the data pretreatment. This work describes the impact of LIBS data normalization approaches on MVDA classification accuracy. Also, the impact of classical data preprocessing (mean centering and scaling) exploiting the prior utilization of MVDA was studied. This issue was investigated exploiting simple soft independent modelling of class analogies algorithm. The findings were generalized for three sample matrices (steel, Al alloys, and sedimentary ores). Furthermore, the selection of an appropriate normalization algorithm is not trivial since the spectrum of each sample matrix is composed of a different number of elements and corresponding elemental lines.

Area:

Geology ; Industry

Material:

Aluminium alloy ; Sedimentary ore ; Steel

Elements:

Lines [nm]:

Fe I 381.58 nm Fe I 382.04 nm Fe I 382.59 nm Fe I 404.58 nm Fe I 438.28 nm Fe I 440.48 nm Fe I 441.51 nm Fe I 487.21 nm Fe I 489.15 nm Fe I 492.05 nm Fe I 495.76 nm Fe I 358.72 nm

Lines [nm]:

Cr II 284.98 nm Cr II 313.21 nm Cr II 336.80 nm Cr I 425.44 nm Cr I 427.48 nm Cr I 428.97 nm Cr I 455.40 nm Cr I 520.84 nm Cr I 540.98 nm

Lines [nm]:

Mg I 285.21 nm Mg I 516.73 nm Mg I 517.27 nm Mg I 518.36 nm Mg II 279.55 nm Mg II 280.27 nm Mg II 293.65 nm

Lines [nm]:

Cu I 324.75 nm Cu I 327.40 nm Cu I 515.32 nm Cu I 521.82 nm

Lines [nm]:

Al I 308.22 nm Al I 309.27 nm Al I 394.40 nm Al I 396.15 nm

...

Emmision lines:
Co II 241.62 nm
Mg II 279.55 nm
Mg II 280.27 nm
Cr II 284.98 nm
Mg I 285.21 nm
Si I 288.16 nm
Mg II 293.65 nm
Al I 308.22 nm
Al I 309.27 nm
Cr II 313.21 nm
Cu I 324.75 nm
Cu I 327.40 nm
Zn I 330.26 nm
Zn I 334.50 nm
Ti II 334.94 nm
Ti II 336.12 nm
Cr II 336.80 nm
Ni I 341.48 nm
Ni I 349.30 nm
Ni I 351.51 nm
Ni I 352.45 nm
Fe I 358.72 nm
Fe I 381.58 nm
Fe I 382.04 nm
Fe I 382.59 nm
Si I 390.55 nm
Al I 394.40 nm
Al I 396.15 nm
Fe I 404.58 nm
Pb I 405.78 nm
Cr I 425.44 nm
Cr I 427.48 nm
Cr I 428.97 nm
Fe I 438.28 nm
Fe I 440.48 nm
Fe I 441.51 nm
Cr I 455.40 nm
Zn I 472.22 nm
Mn I 475.40 nm
Mn I 476.24 nm
Mn I 478.34 nm
Zn I 481.05 nm
Mn I 482.35 nm
Fe I 487.21 nm
Fe I 489.15 nm
Fe I 492.05 nm
Fe I 495.76 nm
Cu I 515.32 nm
Mg I 516.73 nm
Mg I 517.27 nm
Mg I 518.36 nm
Cr I 520.84 nm
Cu I 521.82 nm
Cr I 540.98 nm
Mo I 550.65 nm
Na I 589.00 nm
Na I 589.59 nm
H I 656.28 nm
N I 742.36 nm
N I 744.23 nm
N I 746.83 nm
K I 766.49 nm
K I 769.90 nm
O I 777.19 nm

Multivariate classification of echellograms: a new perspective in Laser-Induced Breakdown Spectroscopy analysis

Author: Pořízka, P. ; et. al.

Journal: Scientific Reports (2017)

Fundamentals Applications Chemometrics

DOI: 10.1038/s41598-017-03426-0

Authors
Burget, R. ; Kaiser, J. ; Klus, J. ; Mašek, J. ; Modlitbová, P. ; Novotný, J. ; Novotný, K. ; Prochazka, D. ; Rajnoha, M.

Keywords

Laser-Induced Breakdown Spectroscopy; ;

Abstract

In this work, we proposed a new data acquisition approach that significantly improves the repetition rates of Laser-Induced Breakdown Spectroscopy (LIBS) experiments, where high-end echelle spectrometers and intensified detectors are commonly used. The moderate repetition rates of recent LIBS systems are caused by the utilization of intensified detectors and their slow full frame (i.e. echellogram) readout speeds with consequent necessity for echellogram-to-1D spectrum conversion (intensity vs. wavelength). Therefore, we investigated a new methodology where only the most effective pixels of the echellogram were selected and directly used in the LIBS experiments. Such data processing resulted in significant variable down-selection (more than four orders of magnitude). Samples of 50 sedimentary ores samples (distributed in 13 ore types) were analyzed by LIBS system and then classified by linear and non-linear Multivariate Data Analysis algorithms. The utilization of selected pixels from an echellogram yielded increased classification accuracy compared to the utilization of common 1D spectra.

Area:

Geology

Material:

Sedimentary ore

Elements:

Lines [nm]:

Fe I 344.10 nm Fe I 373.71 nm Fe I 374.56 nm Fe I 404.58 nm Fe I 487.21 nm Fe I 489.15 nm Fe I 492.05 nm Fe I 495.76 nm Fe I 643.88 nm Fe II 318.01 nm

Lines [nm]:

Mg I 285.21 nm Mg I 383.23 nm Mg I 383.83 nm Mg I 517.27 nm Mg I 518.36 nm Mg II 279.55 nm Mg II 279.80 nm Mg II 280.27 nm Mg II 293.65 nm

Lines [nm]:

Ca I 422.67 nm Ca I 558.88 nm Ca I 559.45 nm Ca II 393.37 nm Ca II 396.85 nm Ca II 854.21 nm Ca II 866.21 nm

Lines [nm]:

Mn I 353.19 nm Mn I 475.40 nm Mn I 476.24 nm Mn I 478.34 nm Mn I 482.35 nm

Lines [nm]:

Al I 308.22 nm Al I 309.27 nm Al I 394.40 nm Al I 396.15 nm

...

Emmision lines:
Mg II 279.55 nm
Mg II 279.80 nm
Mg II 280.27 nm
Mg I 285.21 nm
Si I 288.16 nm
Mg II 293.65 nm
Al I 308.22 nm
Al I 309.27 nm
Fe II 318.01 nm
Cu I 327.40 nm
Ag I 328.07 nm
Zn I 334.50 nm
Fe I 344.10 nm
Mn I 353.19 nm
Cr I 354.78 nm
Fe I 373.71 nm
Fe I 374.56 nm
Mg I 383.23 nm
Mg I 383.83 nm
Si I 390.55 nm
Ca II 393.37 nm
Al I 394.40 nm
Al I 396.15 nm
Ca II 396.85 nm
Fe I 404.58 nm
Pb I 405.78 nm
Ca I 422.67 nm
Cr I 455.40 nm
Mn I 475.40 nm
Mn I 476.24 nm
Mn I 478.34 nm
Mn I 482.35 nm
Fe I 487.21 nm
Fe I 489.15 nm
Fe I 492.05 nm
Fe I 495.76 nm
Mg I 517.27 nm
Mg I 518.36 nm
Ca I 558.88 nm
Ca I 559.45 nm
Na I 589.00 nm
Na I 589.59 nm
Fe I 643.88 nm
H I 656.28 nm
Li I 670.78 nm
Li I 670.79 nm
K I 766.49 nm
K I 769.90 nm
O I 777.19 nm
Ca II 854.21 nm
Ca II 866.21 nm
N I 868.34 nm

Material: Sedimentary ore

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