Mixture: Mixture Data
In JOPS: Practical Smoothing with P-Splines
Mixture R Documentation
Mixture Data
Description
The mixture data were obtained in an unpublished experiment in
2001 by Zhenyu Wang at University of Amsterdam, under the
supervision of Age Smilde. We are grateful for the permission
to use the data.
Usage
data(Mixture)
Format
A list consisting of the following:
fractionsa 34 x 3 matrix of mixure fractions (rows sum to unity):
Water (subboiled demi water (self made)),
1,2ethanediol (99.8% Sigma-Aldrich Germany),
3amino1propanol (99% Merk Schuchardt Germany)
xspectraspectra array, 34 (observations) x 401 (wavelenths
channels) x 12 (temperatures (C):
30, 35, 37.5, 40, 45, 47.5, 50, 55, 60, 62.5, 65, 70 )
wlwavelengths for the spectra, 700 to 1100 (nm), by 1nm.
Details
The following instruments and chemicals were used in the
experiment: HP 8453 spectrophotometer (Hewlett-Packard, Palo
Alto, CA); 2cm closed quartz cuvette with glass thermostatable
jacket; Pt-100 temperature sensor; Neslab microprocessor EX-111 circulator bath;
UV-visible Chemstation software (Rev A.02.04) on a
Hewlett-Packard Vectra XM2 PC.
References
Eilers, P. H. C., and Marx, B. D. (2003). Multivariate calibration with temperature interaction
using two-dimensional penalized signal regression. Chemometrics and
Intellegent Laboratory Systems, 66, 159–174.
Marx, B. D., Eilers, P. H. C., and Li, B. (2011). Multidimensional single-index signal
regression. Chemometrics and Intelligent Laboratory Systems, 109(2), 120–130.
[see the Appendix within]
Zhenyou Wang and Age Smilde, Univeristy of Amsterdam,
The Netherlands. Personal communication.
JOPS documentation built on Sept. 8, 2023, 5:42 p.m.
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| Mixture | R Documentation |
Mixture Data
Description
The mixture data were obtained in an unpublished experiment in 2001 by Zhenyu Wang at University of Amsterdam, under the supervision of Age Smilde. We are grateful for the permission to use the data.
Usage
data(Mixture)
Format
A list consisting of the following:
fractionsa 34 x 3 matrix of mixure fractions (rows sum to unity):
Water(subboiled demi water (self made)),1,2ethanediol(99.8% Sigma-Aldrich Germany),3amino1propanol(99% Merk Schuchardt Germany)xspectraspectra array, 34 (observations) x 401 (wavelenths channels) x 12 (temperatures (C): 30, 35, 37.5, 40, 45, 47.5, 50, 55, 60, 62.5, 65, 70 )
wlwavelengths for the spectra, 700 to 1100 (nm), by 1nm.
Details
The following instruments and chemicals were used in the experiment: HP 8453 spectrophotometer (Hewlett-Packard, Palo Alto, CA); 2cm closed quartz cuvette with glass thermostatable jacket; Pt-100 temperature sensor; Neslab microprocessor EX-111 circulator bath; UV-visible Chemstation software (Rev A.02.04) on a Hewlett-Packard Vectra XM2 PC.
References
Eilers, P. H. C., and Marx, B. D. (2003). Multivariate calibration with temperature interaction using two-dimensional penalized signal regression. Chemometrics and Intellegent Laboratory Systems, 66, 159–174.
Marx, B. D., Eilers, P. H. C., and Li, B. (2011). Multidimensional single-index signal regression. Chemometrics and Intelligent Laboratory Systems, 109(2), 120–130. [see the Appendix within]
Zhenyou Wang and Age Smilde, Univeristy of Amsterdam, The Netherlands. Personal communication.
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