Publication Details (including relevant citation information):
Journal of Chemometrics, Vol. 13(5), 511-524 (1999)
In order to improve the signal detection and resolution of chemical components with very low concentrations in hyphenated chromatographic two-way data, the effect of measurement noise from the instruments on these two aspects is first investigated in the present paper. A new smoothing technique called the roughness penalty method is introduced to reduce the influence of this measurement noise. Our results show that the proposed method can enhance the detection ability significantly. In addition, the resolved spectra after the roughness penalty smoothing are found to be significantly improved. The performance of the method was assessed using simulated and real hyphenated two-way data.