DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Uncertainty of Integrated Intensity Following Line Profile Fitting of Multiline Spectra

Abstract

A novel method of determining the total uncertainty in the integrated intensity of fitted emission lines in multi-peaked emission spectra is presented. The proposed method does not require an assumption of the type of line profile to be specified. The absolute difference between a fit and measured spectrum defines the uncertainty of the integrated signal intensity and is subsequently decomposed to determine the uncertainty of each peak in multi-line fits. Decomposition relies on tabulating a weighting factor which describes how each peak contributes to the total integral uncertainty. Applications of this method to quantitative approaches in laser-induced breakdown spectroscopy analysis are described.

Authors:
ORCiD logo [1];  [2];  [3];  [3];  [4]
  1. Univ. of Massachusetts, Lowell, MA (United States); Delaware State Univ., Ringgold, DE (United States)
  2. Delaware State Univ., Ringgold, DE (United States)
  3. Y-12 National Security Complex, Oak Ridge, TN (United States)
  4. Univ. of Massachusetts, Lowell, MA (United States)
Publication Date:
Research Org.:
Oak Ridge Y-12 Plant (Y-12), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1479876
Report Number(s):
IROS6851_1
Journal ID: ISSN 0003-7028
Grant/Contract Number:  
NA0001942
Resource Type:
Accepted Manuscript
Journal Name:
Applied Spectroscopy
Additional Journal Information:
Journal Volume: 72; Journal Issue: 5; Journal ID: ISSN 0003-7028
Publisher:
Society for Applied Spectroscopy
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Laser-Induced Breakdown Spectroscopy; Uncertainties; Fitting

Citation Formats

Surmick, David M., Boukari, Hacene, Woodward, Jonathan, Stowe, Ashley C., and Melikechi, Noureddine. Uncertainty of Integrated Intensity Following Line Profile Fitting of Multiline Spectra. United States: N. p., 2018. Web. doi:10.1177/0003702818756652.
Surmick, David M., Boukari, Hacene, Woodward, Jonathan, Stowe, Ashley C., & Melikechi, Noureddine. Uncertainty of Integrated Intensity Following Line Profile Fitting of Multiline Spectra. United States. https://doi.org/10.1177/0003702818756652
Surmick, David M., Boukari, Hacene, Woodward, Jonathan, Stowe, Ashley C., and Melikechi, Noureddine. Wed . "Uncertainty of Integrated Intensity Following Line Profile Fitting of Multiline Spectra". United States. https://doi.org/10.1177/0003702818756652. https://www.osti.gov/servlets/purl/1479876.
@article{osti_1479876,
title = {Uncertainty of Integrated Intensity Following Line Profile Fitting of Multiline Spectra},
author = {Surmick, David M. and Boukari, Hacene and Woodward, Jonathan and Stowe, Ashley C. and Melikechi, Noureddine},
abstractNote = {A novel method of determining the total uncertainty in the integrated intensity of fitted emission lines in multi-peaked emission spectra is presented. The proposed method does not require an assumption of the type of line profile to be specified. The absolute difference between a fit and measured spectrum defines the uncertainty of the integrated signal intensity and is subsequently decomposed to determine the uncertainty of each peak in multi-line fits. Decomposition relies on tabulating a weighting factor which describes how each peak contributes to the total integral uncertainty. Applications of this method to quantitative approaches in laser-induced breakdown spectroscopy analysis are described.},
doi = {10.1177/0003702818756652},
journal = {Applied Spectroscopy},
number = 5,
volume = 72,
place = {United States},
year = {Wed Feb 21 00:00:00 EST 2018},
month = {Wed Feb 21 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 1 work
Citation information provided by
Web of Science

Figures / Tables:

Figure 1 Figure 1: Nonlinear fitting result of Al 256.79 and 257.50 nm transitions collected in a time and space integrated spectral measurement following ablation of an Al alloy 7050 target in ambient laboratory air.

Save / Share:

Works referenced in this record:

Precision Limits to Emission‐Line Profile Measuring Experiments
journal, February 2005

  • Ireland, J.
  • The Astrophysical Journal, Vol. 620, Issue 2
  • DOI: 10.1086/427230

Quantification of water content by laser induced breakdown spectroscopy on Mars
journal, April 2017

  • Rapin, W.; Meslin, P. -Y.; Maurice, S.
  • Spectrochimica Acta Part B: Atomic Spectroscopy, Vol. 130
  • DOI: 10.1016/j.sab.2017.02.007

Bootstrapping Regression Models
journal, November 1981


Review: Applications of single-shot laser-induced breakdown spectroscopy
journal, March 2010


Uncertainties in extracted parameters of a Gaussian emission line profile with continuum background
journal, January 2009


High manganese concentrations in rocks at Gale crater, Mars
journal, August 2014

  • Lanza, Nina L.; Fischer, Woodward W.; Wiens, Roger C.
  • Geophysical Research Letters, Vol. 41, Issue 16
  • DOI: 10.1002/2014GL060329

The standard error of a weighted mean concentration—I. Bootstrapping vs other methods
journal, June 1995


An Interior Trust Region Approach for Nonlinear Minimization Subject to Bounds
journal, May 1996

  • Coleman, Thomas F.; Li, Yuying
  • SIAM Journal on Optimization, Vol. 6, Issue 2
  • DOI: 10.1137/0806023

Introduction to Plasma Spectroscopy
book, January 2009


Automated Parameter Blocking for Efficient Markov Chain Monte Carlo Sampling
journal, June 2017

  • Turek, Daniel; de Valpine, Perry; Paciorek, Christopher J.
  • Bayesian Analysis, Vol. 12, Issue 2
  • DOI: 10.1214/16-BA1008

On the statistical uncertainties associated with line profile fitting
journal, October 1982

  • Landman, D. A.; Roussel-Dupre, R.; Tanigawa, G.
  • The Astrophysical Journal, Vol. 261
  • DOI: 10.1086/160383

Gaussian profile estimation in one dimension
journal, January 2007

  • Hagen, Nathan; Kupinski, Matthew; Dereniak, Eustace L.
  • Applied Optics, Vol. 46, Issue 22
  • DOI: 10.1364/AO.46.005374

Quantitative Analysis of Aluminum Alloys by Laser-Induced Breakdown Spectroscopy and Plasma Characterization
journal, April 1995


Influence of dust and sea-salt sandwich effect on precipitation chemistry over the Western Ghats during summer monsoon
journal, December 2019


Figures/Tables have been extracted from DOE-funded journal article accepted manuscripts.