Expand this Topic clickable element to expand a topic
Skip to content
Optica Publishing Group
  • Applied Spectroscopy
  • Vol. 71,
  • Issue 8,
  • pp. 1876-1883
  • (2017)

Reverse Intensity Correction for Raman Spectral Library Search

Open Access Open Access

Abstract

A reverse intensity correction method was developed for spectral library searches to correct for instrument response without the side effect of magnifying the noise in the low responsivity region of test spectra. Instead of applying relative intensity correction to the sample test spectra to match the standardized library spectra, a reverse intensity correction is applied to the standardized library spectra to match the uncorrected sample spectrum. This simple procedural change improves library search performance, especially for dispersive charge-coupled device Raman analyzers using near-infrared excitations, where the instrument response often varies greatly across the spectral range, and signal-to-noise ratio in the low responsivity regions is typically poor.

© 2017 The Author(s)

PDF Article

References

  • View by:

  1. S.R. Lowry. “Automated Spectral Searching in Infrared, Raman and Near-Infrared Spectroscopy”. In: J.M. Chalmers, P.R. Griffiths, editors. Handbook of Vibrational Spectroscopy. Chichester, UK: John Wiley and Sons, 2002, Vol. 3, pp. 1948–1961.
  2. J.B. Loudermilk, D.A. Himmelsbach, F.E. Barton, and J.A. de Haseth, “Novel Search Algorithms for a Mid-Infrared Spectral Library of Cotton Contaminants”. Appl. Spectrosc 2008;  62(6): 661–670.
  3. M. D’Orazio and B. Schrader, “Calibration of the absolute spectral response of Raman spectrometers”. J. Raman Spectrosc 1974;  2(6): 585–592.
  4. F.J. Purcell, R. Kaminski, and E. Russavage, “Radiometric Correction of Raman Spectra”. Appl. Spectrosc 1980;  34(3): 323–326.
  5. M. Fryling, C.J. Frank, and R.L. McCreery, “Intensity Calibration and Sensitivity Comparisons for CCD/Raman Spectrometers”. Appl. Spectrosc 1993;  47(12): 1965–1974.
  6. K.G. Ray and R.L. McCreery, “Simplified Calibration of Instrument Response Function for Raman Spectrometers Based on Luminescent Intensity Standards”. Appl. Spectrosc 1997;  51(1): 108–116.
  7. K.J. Frost and R.L. McCreery, “Calibration of Raman Spectrometer Instrument Response Function with Luminescence Standards: An Update”. Appl. Spectrosc 1998;  52(12): 1614–1618.
  8. R.L. McCreery. “Raman Spectroscopy for Chemical Analysis”. In: J.D. Winefordner, editor. Chemical Analysis, A Series of Monographs of Analytical Chemistry and Its Applications. New York: Wiley-Interscience, 2000, vol. 157, Chap. 10, pp. 251–291.
  9. S.J. Choquette, E.S. Etz, W.S. Hurst, D.H. Blackburn, and S.D. Leigh, “Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation”. Appl. Spectrosc 2007;  61(2): 117–129.
  10. J.M. Shaver. “Chemometrics for Raman Spectroscopy”. In I.R. Lewis, H.G.M. Edwards, editors. Handbook of Raman Spectroscopy. New York: CRC Press, 2001. Chap. 7, pp. 275–306.
  11. J. Reader, C.H. Corliss, W.L. Wiese, G.A. Martin. “Wavelengths and Transition Probabilities for Atoms and Atomic Ions”. National Standard References Data Services, National Bureau of Standards (U.S.) 68 (1980); http://physics.nist.gov/PhysRefData/Handbook/index.html [accessed 12 May 2015].
  12. ASTM International. “Standard Guide for Raman Shift Standards for Spectrometer Calibration”. In ASTM Annual Book of Standards 2006 (NIST, Gaithersburg, MD, 2006), vol. 3.06, Molecular Spectroscopy, E1840-96.
  13. B.T. Bowie and P.R. Griffiths, “Determination of the Resolution of a Multichannel Raman Spectrometer Using Fourier Transform Raman Spectra”. Appl. Spectrosc 2003;  57(2): 190–196.
  14. ASTM International. “ASTM E2529–06(2014), Standard Guide for Testing the Resolution of a Raman Spectrometer”. 2014. https://www.astm.org/Standards/E2529.htm [accessed 27 Jan 2017].
  15. A. Savitzky and M.J.E. Golay, “Smoothing and Differentiation of Data by Simplified Least Squares Procedures”. Anal. Chem 1964;  36(8): 1627–1639.
  16. J. Steinier, Y. Termonia, and J. Deltour, “Smoothing and differentiation of data by simplified least square procedure”. Anal. Chem 1972;  44(11): 1906–1909.
  17. C.D. Baer and C.W. Brown, “Identifying the Source of Weathered Petroleum: Matching Infrared Spectra with Correlation Coefficients”. Appl. Spectrosc 1977;  31(6): 524–527.
  18. J.D. Rodriguez, B.J. Westenberger, L.F. Buhse, and J.F. Kauffman, “Standardization of Raman Spectra for Transfer of Spectral Libraries Across Different Instruments”. Analyst 2011;  136(20): 4232–4240.

2011 (1)

J.D. Rodriguez, B.J. Westenberger, L.F. Buhse, and J.F. Kauffman, “Standardization of Raman Spectra for Transfer of Spectral Libraries Across Different Instruments”. Analyst 2011;  136(20): 4232–4240.

2008 (1)

J.B. Loudermilk, D.A. Himmelsbach, F.E. Barton, and J.A. de Haseth, “Novel Search Algorithms for a Mid-Infrared Spectral Library of Cotton Contaminants”. Appl. Spectrosc 2008;  62(6): 661–670.

2007 (1)

S.J. Choquette, E.S. Etz, W.S. Hurst, D.H. Blackburn, and S.D. Leigh, “Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation”. Appl. Spectrosc 2007;  61(2): 117–129.

2003 (1)

B.T. Bowie and P.R. Griffiths, “Determination of the Resolution of a Multichannel Raman Spectrometer Using Fourier Transform Raman Spectra”. Appl. Spectrosc 2003;  57(2): 190–196.

1998 (1)

K.J. Frost and R.L. McCreery, “Calibration of Raman Spectrometer Instrument Response Function with Luminescence Standards: An Update”. Appl. Spectrosc 1998;  52(12): 1614–1618.

1997 (1)

K.G. Ray and R.L. McCreery, “Simplified Calibration of Instrument Response Function for Raman Spectrometers Based on Luminescent Intensity Standards”. Appl. Spectrosc 1997;  51(1): 108–116.

1993 (1)

M. Fryling, C.J. Frank, and R.L. McCreery, “Intensity Calibration and Sensitivity Comparisons for CCD/Raman Spectrometers”. Appl. Spectrosc 1993;  47(12): 1965–1974.

1980 (1)

F.J. Purcell, R. Kaminski, and E. Russavage, “Radiometric Correction of Raman Spectra”. Appl. Spectrosc 1980;  34(3): 323–326.

1977 (1)

C.D. Baer and C.W. Brown, “Identifying the Source of Weathered Petroleum: Matching Infrared Spectra with Correlation Coefficients”. Appl. Spectrosc 1977;  31(6): 524–527.

1974 (1)

M. D’Orazio and B. Schrader, “Calibration of the absolute spectral response of Raman spectrometers”. J. Raman Spectrosc 1974;  2(6): 585–592.

1972 (1)

J. Steinier, Y. Termonia, and J. Deltour, “Smoothing and differentiation of data by simplified least square procedure”. Anal. Chem 1972;  44(11): 1906–1909.

1964 (1)

A. Savitzky and M.J.E. Golay, “Smoothing and Differentiation of Data by Simplified Least Squares Procedures”. Anal. Chem 1964;  36(8): 1627–1639.

Baer, C.D.

C.D. Baer and C.W. Brown, “Identifying the Source of Weathered Petroleum: Matching Infrared Spectra with Correlation Coefficients”. Appl. Spectrosc 1977;  31(6): 524–527.

Barton, F.E.

J.B. Loudermilk, D.A. Himmelsbach, F.E. Barton, and J.A. de Haseth, “Novel Search Algorithms for a Mid-Infrared Spectral Library of Cotton Contaminants”. Appl. Spectrosc 2008;  62(6): 661–670.

Blackburn, D.H.

S.J. Choquette, E.S. Etz, W.S. Hurst, D.H. Blackburn, and S.D. Leigh, “Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation”. Appl. Spectrosc 2007;  61(2): 117–129.

Bowie, B.T.

B.T. Bowie and P.R. Griffiths, “Determination of the Resolution of a Multichannel Raman Spectrometer Using Fourier Transform Raman Spectra”. Appl. Spectrosc 2003;  57(2): 190–196.

Brown, C.W.

C.D. Baer and C.W. Brown, “Identifying the Source of Weathered Petroleum: Matching Infrared Spectra with Correlation Coefficients”. Appl. Spectrosc 1977;  31(6): 524–527.

Buhse, L.F.

J.D. Rodriguez, B.J. Westenberger, L.F. Buhse, and J.F. Kauffman, “Standardization of Raman Spectra for Transfer of Spectral Libraries Across Different Instruments”. Analyst 2011;  136(20): 4232–4240.

Choquette, S.J.

S.J. Choquette, E.S. Etz, W.S. Hurst, D.H. Blackburn, and S.D. Leigh, “Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation”. Appl. Spectrosc 2007;  61(2): 117–129.

D’Orazio, M.

M. D’Orazio and B. Schrader, “Calibration of the absolute spectral response of Raman spectrometers”. J. Raman Spectrosc 1974;  2(6): 585–592.

de Haseth, J.A.

J.B. Loudermilk, D.A. Himmelsbach, F.E. Barton, and J.A. de Haseth, “Novel Search Algorithms for a Mid-Infrared Spectral Library of Cotton Contaminants”. Appl. Spectrosc 2008;  62(6): 661–670.

Deltour, J.

J. Steinier, Y. Termonia, and J. Deltour, “Smoothing and differentiation of data by simplified least square procedure”. Anal. Chem 1972;  44(11): 1906–1909.

Etz, E.S.

S.J. Choquette, E.S. Etz, W.S. Hurst, D.H. Blackburn, and S.D. Leigh, “Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation”. Appl. Spectrosc 2007;  61(2): 117–129.

Frank, C.J.

M. Fryling, C.J. Frank, and R.L. McCreery, “Intensity Calibration and Sensitivity Comparisons for CCD/Raman Spectrometers”. Appl. Spectrosc 1993;  47(12): 1965–1974.

Frost, K.J.

K.J. Frost and R.L. McCreery, “Calibration of Raman Spectrometer Instrument Response Function with Luminescence Standards: An Update”. Appl. Spectrosc 1998;  52(12): 1614–1618.

Fryling, M.

M. Fryling, C.J. Frank, and R.L. McCreery, “Intensity Calibration and Sensitivity Comparisons for CCD/Raman Spectrometers”. Appl. Spectrosc 1993;  47(12): 1965–1974.

Golay, M.J.E.

A. Savitzky and M.J.E. Golay, “Smoothing and Differentiation of Data by Simplified Least Squares Procedures”. Anal. Chem 1964;  36(8): 1627–1639.

Griffiths, P.R.

B.T. Bowie and P.R. Griffiths, “Determination of the Resolution of a Multichannel Raman Spectrometer Using Fourier Transform Raman Spectra”. Appl. Spectrosc 2003;  57(2): 190–196.

Himmelsbach, D.A.

J.B. Loudermilk, D.A. Himmelsbach, F.E. Barton, and J.A. de Haseth, “Novel Search Algorithms for a Mid-Infrared Spectral Library of Cotton Contaminants”. Appl. Spectrosc 2008;  62(6): 661–670.

Hurst, W.S.

S.J. Choquette, E.S. Etz, W.S. Hurst, D.H. Blackburn, and S.D. Leigh, “Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation”. Appl. Spectrosc 2007;  61(2): 117–129.

Kaminski, R.

F.J. Purcell, R. Kaminski, and E. Russavage, “Radiometric Correction of Raman Spectra”. Appl. Spectrosc 1980;  34(3): 323–326.

Kauffman, J.F.

J.D. Rodriguez, B.J. Westenberger, L.F. Buhse, and J.F. Kauffman, “Standardization of Raman Spectra for Transfer of Spectral Libraries Across Different Instruments”. Analyst 2011;  136(20): 4232–4240.

Leigh, S.D.

S.J. Choquette, E.S. Etz, W.S. Hurst, D.H. Blackburn, and S.D. Leigh, “Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation”. Appl. Spectrosc 2007;  61(2): 117–129.

Loudermilk, J.B.

J.B. Loudermilk, D.A. Himmelsbach, F.E. Barton, and J.A. de Haseth, “Novel Search Algorithms for a Mid-Infrared Spectral Library of Cotton Contaminants”. Appl. Spectrosc 2008;  62(6): 661–670.

McCreery, R.L.

K.J. Frost and R.L. McCreery, “Calibration of Raman Spectrometer Instrument Response Function with Luminescence Standards: An Update”. Appl. Spectrosc 1998;  52(12): 1614–1618.

K.G. Ray and R.L. McCreery, “Simplified Calibration of Instrument Response Function for Raman Spectrometers Based on Luminescent Intensity Standards”. Appl. Spectrosc 1997;  51(1): 108–116.

M. Fryling, C.J. Frank, and R.L. McCreery, “Intensity Calibration and Sensitivity Comparisons for CCD/Raman Spectrometers”. Appl. Spectrosc 1993;  47(12): 1965–1974.

Purcell, F.J.

F.J. Purcell, R. Kaminski, and E. Russavage, “Radiometric Correction of Raman Spectra”. Appl. Spectrosc 1980;  34(3): 323–326.

Ray, K.G.

K.G. Ray and R.L. McCreery, “Simplified Calibration of Instrument Response Function for Raman Spectrometers Based on Luminescent Intensity Standards”. Appl. Spectrosc 1997;  51(1): 108–116.

Rodriguez, J.D.

J.D. Rodriguez, B.J. Westenberger, L.F. Buhse, and J.F. Kauffman, “Standardization of Raman Spectra for Transfer of Spectral Libraries Across Different Instruments”. Analyst 2011;  136(20): 4232–4240.

Russavage, E.

F.J. Purcell, R. Kaminski, and E. Russavage, “Radiometric Correction of Raman Spectra”. Appl. Spectrosc 1980;  34(3): 323–326.

Savitzky, A.

A. Savitzky and M.J.E. Golay, “Smoothing and Differentiation of Data by Simplified Least Squares Procedures”. Anal. Chem 1964;  36(8): 1627–1639.

Schrader, B.

M. D’Orazio and B. Schrader, “Calibration of the absolute spectral response of Raman spectrometers”. J. Raman Spectrosc 1974;  2(6): 585–592.

Steinier, J.

J. Steinier, Y. Termonia, and J. Deltour, “Smoothing and differentiation of data by simplified least square procedure”. Anal. Chem 1972;  44(11): 1906–1909.

Termonia, Y.

J. Steinier, Y. Termonia, and J. Deltour, “Smoothing and differentiation of data by simplified least square procedure”. Anal. Chem 1972;  44(11): 1906–1909.

Westenberger, B.J.

J.D. Rodriguez, B.J. Westenberger, L.F. Buhse, and J.F. Kauffman, “Standardization of Raman Spectra for Transfer of Spectral Libraries Across Different Instruments”. Analyst 2011;  136(20): 4232–4240.

Anal. Chem (2)

A. Savitzky and M.J.E. Golay, “Smoothing and Differentiation of Data by Simplified Least Squares Procedures”. Anal. Chem 1964;  36(8): 1627–1639.

J. Steinier, Y. Termonia, and J. Deltour, “Smoothing and differentiation of data by simplified least square procedure”. Anal. Chem 1972;  44(11): 1906–1909.

Analyst (1)

J.D. Rodriguez, B.J. Westenberger, L.F. Buhse, and J.F. Kauffman, “Standardization of Raman Spectra for Transfer of Spectral Libraries Across Different Instruments”. Analyst 2011;  136(20): 4232–4240.

Appl. Spectrosc (8)

C.D. Baer and C.W. Brown, “Identifying the Source of Weathered Petroleum: Matching Infrared Spectra with Correlation Coefficients”. Appl. Spectrosc 1977;  31(6): 524–527.

J.B. Loudermilk, D.A. Himmelsbach, F.E. Barton, and J.A. de Haseth, “Novel Search Algorithms for a Mid-Infrared Spectral Library of Cotton Contaminants”. Appl. Spectrosc 2008;  62(6): 661–670.

B.T. Bowie and P.R. Griffiths, “Determination of the Resolution of a Multichannel Raman Spectrometer Using Fourier Transform Raman Spectra”. Appl. Spectrosc 2003;  57(2): 190–196.

F.J. Purcell, R. Kaminski, and E. Russavage, “Radiometric Correction of Raman Spectra”. Appl. Spectrosc 1980;  34(3): 323–326.

M. Fryling, C.J. Frank, and R.L. McCreery, “Intensity Calibration and Sensitivity Comparisons for CCD/Raman Spectrometers”. Appl. Spectrosc 1993;  47(12): 1965–1974.

K.G. Ray and R.L. McCreery, “Simplified Calibration of Instrument Response Function for Raman Spectrometers Based on Luminescent Intensity Standards”. Appl. Spectrosc 1997;  51(1): 108–116.

K.J. Frost and R.L. McCreery, “Calibration of Raman Spectrometer Instrument Response Function with Luminescence Standards: An Update”. Appl. Spectrosc 1998;  52(12): 1614–1618.

S.J. Choquette, E.S. Etz, W.S. Hurst, D.H. Blackburn, and S.D. Leigh, “Relative Intensity Correction of Raman Spectrometers: NIST SRMs 2241 through 2243 for 785 nm, 532 nm, and 488 nm/514.5 nm Excitation”. Appl. Spectrosc 2007;  61(2): 117–129.

J. Raman Spectrosc (1)

M. D’Orazio and B. Schrader, “Calibration of the absolute spectral response of Raman spectrometers”. J. Raman Spectrosc 1974;  2(6): 585–592.

Other (6)

ASTM International. “ASTM E2529–06(2014), Standard Guide for Testing the Resolution of a Raman Spectrometer”. 2014. https://www.astm.org/Standards/E2529.htm [accessed 27 Jan 2017].

S.R. Lowry. “Automated Spectral Searching in Infrared, Raman and Near-Infrared Spectroscopy”. In: J.M. Chalmers, P.R. Griffiths, editors. Handbook of Vibrational Spectroscopy. Chichester, UK: John Wiley and Sons, 2002, Vol. 3, pp. 1948–1961.

J.M. Shaver. “Chemometrics for Raman Spectroscopy”. In I.R. Lewis, H.G.M. Edwards, editors. Handbook of Raman Spectroscopy. New York: CRC Press, 2001. Chap. 7, pp. 275–306.

J. Reader, C.H. Corliss, W.L. Wiese, G.A. Martin. “Wavelengths and Transition Probabilities for Atoms and Atomic Ions”. National Standard References Data Services, National Bureau of Standards (U.S.) 68 (1980); http://physics.nist.gov/PhysRefData/Handbook/index.html [accessed 12 May 2015].

ASTM International. “Standard Guide for Raman Shift Standards for Spectrometer Calibration”. In ASTM Annual Book of Standards 2006 (NIST, Gaithersburg, MD, 2006), vol. 3.06, Molecular Spectroscopy, E1840-96.

R.L. McCreery. “Raman Spectroscopy for Chemical Analysis”. In: J.D. Winefordner, editor. Chemical Analysis, A Series of Monographs of Analytical Chemistry and Its Applications. New York: Wiley-Interscience, 2000, vol. 157, Chap. 10, pp. 251–291.

Cited By

Optica participates in Crossref's Cited-By Linking service. Citing articles from Optica Publishing Group journals and other participating publishers are listed here.


Select as filters


Select Topics Cancel
© Copyright 2022 | Optica Publishing Group. All Rights Reserved