spec.quality: Calculating spectral quality indices
In kimsche/MetaboMate: All you need for NMR-based metabolic profiling with R!
Description
Usage
Arguments
Value
Author(s)
References
See Also
Description
Calculating spectral quality indices
Usage
1
spec.quality(X, ppm, ppm.noise = c(9.4, 9.5), plot = "interactive")
Arguments
X
NMR matrix, rows represent spectra.
ppm
Matching ppm vector.
ppm.noise
region for noise estimation, must be signal free across all spectra.
plot
Logical indicating if a summary plot should be produced.
Value
Returned is a data frame with TSP line width, residual water signal, normalised baseline estimation (the lower the less baseline fluctuations), estimated signal to noise ratio.
Author(s)
Torben Kimhofer tkimhofer@gmail.com
References
Eilers, P.H.C. (2004), Parametric Time Warping, Analytical Chemistry, 76.2, 404–411.
Bloemberg, T.G., et al. (2010), Improved parametric time warping for Proteomics, Chemometrics and Intelligent Laboratory Systems, 104.1, 65-74.
See Also
kimsche/MetaboMate documentation built on Aug. 8, 2020, 1:14 a.m.
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Description Usage Arguments Value Author(s) References See Also
Description
Calculating spectral quality indices
Usage
1 | spec.quality(X, ppm, ppm.noise = c(9.4, 9.5), plot = "interactive")
|
Arguments
X |
NMR matrix, rows represent spectra. |
ppm |
Matching ppm vector. |
ppm.noise |
region for noise estimation, must be signal free across all spectra. |
plot |
Logical indicating if a summary plot should be produced. |
Value
Returned is a data frame with TSP line width, residual water signal, normalised baseline estimation (the lower the less baseline fluctuations), estimated signal to noise ratio.
Author(s)
Torben Kimhofer tkimhofer@gmail.com
References
Eilers, P.H.C. (2004), Parametric Time Warping, Analytical Chemistry, 76.2, 404–411.
Bloemberg, T.G., et al. (2010), Improved parametric time warping for Proteomics, Chemometrics and Intelligent Laboratory Systems, 104.1, 65-74.
See Also
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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