Skip to main content
Erschienen in: Wood Science and Technology 5-6/2009

01.08.2009 | Original

Determination of specific gravity of green Pinus taeda samples by near infrared spectroscopy: comparison of pre-processing methods using multivariate figures of merit

verfasst von: Christian R. Mora, Laurence R. Schimleck

Erschienen in: Wood Science and Technology | Ausgabe 5-6/2009

Einloggen

Aktivieren Sie unsere intelligente Suche, um passende Fachinhalte oder Patente zu finden.

search-config
loading …

Abstract

Near infrared diffuse reflectance was used for the determination of specific gravity in green Pinus taeda L. wood samples representing simulated increment cores obtained at breast height and merchantable green logs. The effects of using three pre-processing methods (second derivative, multiplicative scatter correction, and orthogonal signal correction) to reduce the scatter observed in the original spectra were evaluated. The effectiveness of each method was assessed in terms of the average predictive ability of the models and in terms of multivariate figures of merit derived from net analyte signal theory. Specific gravity was successfully modeled using green wood samples. No differences in predictive ability among models were found, although more parsimonious regressions were obtained using transformed spectra. The incorporation of figures of merit for the characterization of calibration models proved to be a valuable tool for understanding the effects of the pre-processing alternatives on the final results.

Sie haben noch keine Lizenz? Dann Informieren Sie sich jetzt über unsere Produkte:

Springer Professional "Technik"

Online-Abonnement

Mit Springer Professional "Technik" erhalten Sie Zugriff auf:

  • über 67.000 Bücher
  • über 390 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Maschinenbau + Werkstoffe




 

Jetzt Wissensvorsprung sichern!

Springer Professional "Wirtschaft+Technik"

Online-Abonnement

Mit Springer Professional "Wirtschaft+Technik" erhalten Sie Zugriff auf:

  • über 102.000 Bücher
  • über 537 Zeitschriften

aus folgenden Fachgebieten:

  • Automobil + Motoren
  • Bauwesen + Immobilien
  • Business IT + Informatik
  • Elektrotechnik + Elektronik
  • Energie + Nachhaltigkeit
  • Finance + Banking
  • Management + Führung
  • Marketing + Vertrieb
  • Maschinenbau + Werkstoffe
  • Versicherung + Risiko

Jetzt Wissensvorsprung sichern!

Literatur
Zurück zum Zitat Blanco M, Coello J, Iturriaga H, Maspoch S, de la Pezuela C (1997) Effect of data preprocessing methods in near-infrared diffuse reflectance spectroscopy for the determination of the active compound in a pharmaceutical preparation. Appl Spectrosc 51(2):240–246CrossRef Blanco M, Coello J, Iturriaga H, Maspoch S, de la Pezuela C (1997) Effect of data preprocessing methods in near-infrared diffuse reflectance spectroscopy for the determination of the active compound in a pharmaceutical preparation. Appl Spectrosc 51(2):240–246CrossRef
Zurück zum Zitat Booksh KS, Kowalski BR (1994) Theory of analytical chemistry. Anal Chem 66(15):782A–791ACrossRef Booksh KS, Kowalski BR (1994) Theory of analytical chemistry. Anal Chem 66(15):782A–791ACrossRef
Zurück zum Zitat Bro R, Andersen CM (2003) Theory of net analyte signal vectors in inverse regression. J Chemometrics 17(12):646–652CrossRef Bro R, Andersen CM (2003) Theory of net analyte signal vectors in inverse regression. J Chemometrics 17(12):646–652CrossRef
Zurück zum Zitat Brown CD, Vega-Montoto L, Wentzell PD (2000) Derivative preprocessing and optimal corrections for baseline drift in multivariate calibration. Appl Spectrosc 54(7):1055–1068CrossRef Brown CD, Vega-Montoto L, Wentzell PD (2000) Derivative preprocessing and optimal corrections for baseline drift in multivariate calibration. Appl Spectrosc 54(7):1055–1068CrossRef
Zurück zum Zitat Esbensen KH (2002) Multivariate data analysis in practice, 5th edn edn. CAMO Process AS, Oslo Esbensen KH (2002) Multivariate data analysis in practice, 5th edn edn. CAMO Process AS, Oslo
Zurück zum Zitat Evans R (1994) Rapid measurement of the transverse dimensions of tracheids in radial wood sections from Pinus radiata. Holzforschung 48(2):168–172CrossRef Evans R (1994) Rapid measurement of the transverse dimensions of tracheids in radial wood sections from Pinus radiata. Holzforschung 48(2):168–172CrossRef
Zurück zum Zitat Evans R, Stringer S, Kibblewhite RP (2000) Variation of microfibril angle, density and fibre orientation in twenty-nine Eucalyptus nitens trees. Appita J 53(6):450–457 Evans R, Stringer S, Kibblewhite RP (2000) Variation of microfibril angle, density and fibre orientation in twenty-nine Eucalyptus nitens trees. Appita J 53(6):450–457
Zurück zum Zitat Faber NM (1998) Efficient computation of net analyte signal vector in inverse multivariate calibration models. Anal Chem 70(23):5108–5110CrossRef Faber NM (1998) Efficient computation of net analyte signal vector in inverse multivariate calibration models. Anal Chem 70(23):5108–5110CrossRef
Zurück zum Zitat Faber NM (1999) Multivariate sensitivity for the interpretation of the effect of spectral pretreatment methods on near-infrared calibration model predictions. Anal Chem 71(3):557–565CrossRef Faber NM (1999) Multivariate sensitivity for the interpretation of the effect of spectral pretreatment methods on near-infrared calibration model predictions. Anal Chem 71(3):557–565CrossRef
Zurück zum Zitat Geladi P, McDougall D, Martens H (1985) Linearization and scatter-correction for near-infrared reflectance spectra of meat. Appl Spectrosc 39(3):491–500CrossRef Geladi P, McDougall D, Martens H (1985) Linearization and scatter-correction for near-infrared reflectance spectra of meat. Appl Spectrosc 39(3):491–500CrossRef
Zurück zum Zitat Lorber A (1986) Error propagation and figures of merit for quantification by solving matrix equations. Anal Chem 58(6):1167–1172CrossRef Lorber A (1986) Error propagation and figures of merit for quantification by solving matrix equations. Anal Chem 58(6):1167–1172CrossRef
Zurück zum Zitat Lorber A, Faber K, Kowalski BR (1997) Net analyte signal calculation in multivariate calibration. Anal Chem 69(8):1620–1626CrossRef Lorber A, Faber K, Kowalski BR (1997) Net analyte signal calculation in multivariate calibration. Anal Chem 69(8):1620–1626CrossRef
Zurück zum Zitat Martens H, Næs T (1989) Multivariate calibration. Wiley, Chichester Martens H, Næs T (1989) Multivariate calibration. Wiley, Chichester
Zurück zum Zitat Mevik BH, Cederkvist HR (2004) Mean squared error of prediction (MSEP) estimates for principal component regression (PCR) and partial least squares regression (PLSR). J Chemometrics 18(9):422–429CrossRef Mevik BH, Cederkvist HR (2004) Mean squared error of prediction (MSEP) estimates for principal component regression (PCR) and partial least squares regression (PLSR). J Chemometrics 18(9):422–429CrossRef
Zurück zum Zitat Mevik BH, Wehrens R (2007) The pls package: principal component and partial least squares regression in R. J Stat Softw 18(2):23 Mevik BH, Wehrens R (2007) The pls package: principal component and partial least squares regression in R. J Stat Softw 18(2):23
Zurück zum Zitat Mora CR, Schimleck LR (2008) On the selection of samples for multivariate regression analysis: application to near infrared (NIR) calibration models for the prediction of pulp yield in Eucalyptus nitens. Can J For Res 38(10):2626–2634CrossRef Mora CR, Schimleck LR (2008) On the selection of samples for multivariate regression analysis: application to near infrared (NIR) calibration models for the prediction of pulp yield in Eucalyptus nitens. Can J For Res 38(10):2626–2634CrossRef
Zurück zum Zitat Olivieri A, Faber NM, Ferré J, Boqué R, Kalivas JH, Mark H (2006) Uncertainty estimation and figures of merit for multivariate calibration. Pure Appl Chem 78(3):633–661CrossRef Olivieri A, Faber NM, Ferré J, Boqué R, Kalivas JH, Mark H (2006) Uncertainty estimation and figures of merit for multivariate calibration. Pure Appl Chem 78(3):633–661CrossRef
Zurück zum Zitat Reeves JB, Delwiche SR, Reeves VB (2006) Least squares means multiple comparison testing of reference versus predicted residuals for evaluation of partial least squares spectral calibrations. J Near Infrared Spectrosc 14(6):371–377CrossRef Reeves JB, Delwiche SR, Reeves VB (2006) Least squares means multiple comparison testing of reference versus predicted residuals for evaluation of partial least squares spectral calibrations. J Near Infrared Spectrosc 14(6):371–377CrossRef
Zurück zum Zitat Schimleck LR, Workman JJ Jr (2004) Analysis of timber and paper. In: Roberts C, Workman JJ, Reeves J (eds) Near-infrared spectroscopy in agriculture. American Society of Agronomy, Crop Science Society of America and Soil Science Society of America, Madison, pp 635–646 Schimleck LR, Workman JJ Jr (2004) Analysis of timber and paper. In: Roberts C, Workman JJ, Reeves J (eds) Near-infrared spectroscopy in agriculture. American Society of Agronomy, Crop Science Society of America and Soil Science Society of America, Madison, pp 635–646
Zurück zum Zitat Schimleck LR, Mora C, Daniels RF (2003) Estimation of the physical wood properties of green Pinus taeda radial samples by near infrared spectroscopy. Can J For Res 33(12):2297–2305CrossRef Schimleck LR, Mora C, Daniels RF (2003) Estimation of the physical wood properties of green Pinus taeda radial samples by near infrared spectroscopy. Can J For Res 33(12):2297–2305CrossRef
Zurück zum Zitat Schimleck LR, Mora C, Daniels RF (2004) Estimation of tracheid morphological characteristics of green Pinus taeda L. radial strips by near infrared spectroscopy. Wood Fiber Sci 36(4):527–535 Schimleck LR, Mora C, Daniels RF (2004) Estimation of tracheid morphological characteristics of green Pinus taeda L. radial strips by near infrared spectroscopy. Wood Fiber Sci 36(4):527–535
Zurück zum Zitat Seasholtz MB, Kowalski B (1993) The parsimony principle applied to multivariate calibration. Anal Chim Acta 277(2):165–177CrossRef Seasholtz MB, Kowalski B (1993) The parsimony principle applied to multivariate calibration. Anal Chim Acta 277(2):165–177CrossRef
Zurück zum Zitat Shenk JS, Workman JJ Jr, Westerhaus MO (2008) Application of NIR spectroscopy to agricultural products. In: Burns DA, Ciurczak EW (eds) Handbook of near-infrared analysis, 2nd edn. CRC Press, Boca Raton, pp 347–386 Shenk JS, Workman JJ Jr, Westerhaus MO (2008) Application of NIR spectroscopy to agricultural products. In: Burns DA, Ciurczak EW (eds) Handbook of near-infrared analysis, 2nd edn. CRC Press, Boca Raton, pp 347–386
Zurück zum Zitat Thygesen LG (1994) Determination of dry matter content and basic density of Norway spruce by near infrared reflectance and transmission spectroscopy. J Near Infrared Spectrosc 2(3):127–135CrossRef Thygesen LG (1994) Determination of dry matter content and basic density of Norway spruce by near infrared reflectance and transmission spectroscopy. J Near Infrared Spectrosc 2(3):127–135CrossRef
Zurück zum Zitat Tsuchikawa S (2007) A review of recent near infrared research for wood and paper. Appl Spectrosc Rev 42(1):43–71CrossRef Tsuchikawa S (2007) A review of recent near infrared research for wood and paper. Appl Spectrosc Rev 42(1):43–71CrossRef
Zurück zum Zitat Wentzell PD, Brown CD (2000) Signal processing in analytical chemistry. In: Meyer RA (ed) Encyclopedia of analytical chemistry. Wiley, Chichester, pp 9764–9800 Wentzell PD, Brown CD (2000) Signal processing in analytical chemistry. In: Meyer RA (ed) Encyclopedia of analytical chemistry. Wiley, Chichester, pp 9764–9800
Zurück zum Zitat Wiklund S, Nilsson D, Eriksson L, Sjöström M, Wold S, Faber K (2007) A randomization test for PLS component selection. J Chemometrics 21(10):427–439CrossRef Wiklund S, Nilsson D, Eriksson L, Sjöström M, Wold S, Faber K (2007) A randomization test for PLS component selection. J Chemometrics 21(10):427–439CrossRef
Zurück zum Zitat Wold S, Antti H, Lindgren F, Öhman J (1998) Orthogonal signal correction of near-infrared spectra. Chemom Intell Lab Syst 44(1–2):175–185CrossRef Wold S, Antti H, Lindgren F, Öhman J (1998) Orthogonal signal correction of near-infrared spectra. Chemom Intell Lab Syst 44(1–2):175–185CrossRef
Metadaten
Titel
Determination of specific gravity of green Pinus taeda samples by near infrared spectroscopy: comparison of pre-processing methods using multivariate figures of merit
verfasst von
Christian R. Mora
Laurence R. Schimleck
Publikationsdatum
01.08.2009
Verlag
Springer-Verlag
Erschienen in
Wood Science and Technology / Ausgabe 5-6/2009
Print ISSN: 0043-7719
Elektronische ISSN: 1432-5225
DOI
https://doi.org/10.1007/s00226-008-0235-0

Weitere Artikel der Ausgabe 5-6/2009

Wood Science and Technology 5-6/2009 Zur Ausgabe