Chemometrics

Delaney, Michael F.

doi:10.1021/ac00269a021

Cited by 68 publications

(26 citation statements)

References 75 publications

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“…There is a good selection of very powerful methods available and they show clear advantages in that respect. 'The ultimate goal of curve resolution' as expressed by Delaney [15], 'the deconvolution of an overlapping chromatographic peak into spectrum and concentration profile of each component, without assumptions regarding peak shape, location or identity', has in the meantime been fully met. Nevertheless, model fitting will always be an important instrument in the toolbox of the chemist.…”

Section: Discussionmentioning

confidence: 99%

Target transform fitting: a new method for the non‐linear fitting of multivariate data with separable parameters

Jandanklang

Maeder

Whitson

2001

Journal of Chemometrics

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SUMMARYData fitting is an important technique in chemistry. The number of parameters to be fitted is a most significant aspect: the larger the number, the more difficult the task. A unique combination of target factor analysis with nonlinear data fitting can result in complete or partial separation of the parameters, which can then be fitted independently. Thus, instead of one multiparameter fit, several fits are performed with only one or a few parameters. The procedure can also support model development. Applications in kinetics and chromatography are presented.

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Section: Discussionmentioning

confidence: 99%

Target transform fitting: a new method for the non‐linear fitting of multivariate data with separable parameters

Jandanklang

Maeder

Whitson

2001

Journal of Chemometrics

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“…'The ultimate goal of curve resolution would be to be able to determine the number of components in an overlapping chromatographic peak as well as the spectrum and concentration profile of each compound, without assumption regarding peak shape, location, or identity' [1]. This statement was made in 1984; in the meantime tremendous progress towards that goal has been made.…”

Section: Introductionmentioning

confidence: 99%

On rotational ambiguity in model‐free analyses of multivariate data

Vosough

Mason

Tauler

et al. 2006

Journal of Chemometrics

107

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“…Each mixture was described by a continuous curve, Y(X). The function Y(X) was expressed as a linear combination of two unknown, nonnegative, linearly independent functions such that (1) where f1 and fi were the unknown, non-negative, linearly independent functions with the condition that fi not be a multiple of f2. The cofficients a and p were non-negative variables.…”

Section: Methods Based On Lawton and Sylvestre's Methodsmentioning

confidence: 99%