Evolving window orthogonal projections method for two-way data resolution

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Cheng-Jian Xu, Jian-Hui Jiang and Yi-Zeng Liang


Abstract

An evolving window orthogonal projections (EWOP) method is proposed as a new method to resolve two-way bilinear multi-component data into spectra and chromatograms of the pure constituents. The EWOP method has three main distinctive steps: (i) the zero-concentration graph (ZCG) is employed to identify the zero-concentration region directly and accurately; (ii) the so-called residue vector, which is obtained by local orthogonal projection, is used to quantify the relative concentration of a component, avoiding the effect of collinearity significantly; (iii) the component stripping can be done directly to resolve other components. The results of the simulated and real analytical system showed that the EWOP method performs well even in situations when the spectra of chemical compounds are very similar. The proposed method is also helpful for the automatic resolution of the two-way data.


References

  1. Y. Z. Liang, O. M. Kvalheim and R. Manne, Chemom. Intell. Lab. Syst., 1993, 18, 235 CrossRef CAS.
  2. M. Maeder and A. D. Zuberbuhler, Anal. Chim. Acta, 1986, 181, 287 CrossRef CAS.
  3. M. Maeder, Anal. Chem., 1987, 59, 527 CrossRef CAS.
  4. M. Maeder and A. Zilian, Chemom. Intell. Lab. Syst., 1988, 3, 205 CrossRef CAS.
  5. E. R. Malinowski, J. Chemom., 1992, 6, 29 CAS.
  6. W. Den and E. R. Malinowski, J. Chemom., 1993, 7, 89 CAS.
  7. O. M. Kvalheim and Y. Z. Liang, Anal. Chem., 1992, 64, 936 CrossRef CAS.
  8. Y. Z. Liang, O. M. Kvalheim, H. R. Keller, D. L. Massart, P. Kiechle and F. Erni, Anal. Chem., 1992, 64, 946 CrossRef.
  9. Y. Z. Liang and O. M. Kvalheim, Anal. Chim. Acta, 1994, 292, 5 CrossRef CAS.
  10. R. Manne, H. L. Shen and Y. Z. Liang, Chemom. Intell. Lab. Syst., 1999, 46, 171 CrossRef CAS.
  11. H. L. Shen, R. Manne, Q. S. Xu, D. Z. Chen and Y. Z. Liang, Chemom. Intell. Lab. Syst., 1999, 45, 335 CrossRef CAS.
  12. Y. Z. Liang, O. M. Kvalheim, A. Rahmani and R. G. Brereton, J. Chemom., 1993, 7, 15 CAS.
  13. H. R. Keller and D. L. Massart, Anal. Chim. Acta, 1991, 246, 279 CrossRef CAS.
  14. Y. Z. Liang, O. M. Kvalheim, A. Rahmani and R. Brereton, Chemom. Intell. Lab. Syst., 1993, 18, 265 CrossRef CAS.
  15. M. Amrhein, B. Srinivasan, D. Bonvin and M. M. Schumacher, Chemom. Intell. Lab. Syst., 1996, 33, 17 CrossRef CAS.
  16. H. L. Shen, J. H. Wang, Y. Z. Liang, K. Pettersson, M. Josefson, J. Gottfries and F. Lee, Chemom. Intell. Lab. Syst., 1997, 37, 261 CrossRef CAS.
  17. P. J. Gemperline, J. H. Cho and B. Archer, J. Chemom., 1999, 13, 153 CrossRef CAS.
  18. R. Manne, Chemom. Intell. Lab. Syst., 1995, 27, 89 CrossRef CAS.
  19. A. Lorber, Anal. Chem., 1986, 58, 1167 CrossRef CAS.
  20. Y. Z. Liang and O. M. Kvalheim, Chemom. Intell. Lab. Syst., 1993, 20, 115 CrossRef CAS.
  21. F. C. Sanchez, S. C. Rutan, M. D. G. Garcia and D. L. Massart, Chemom. Intell. Lab. Syst., 1997, 36, 153 CrossRef CAS.
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