computeRI: Retetion Index computation
In baitmet: Library Driven Compound Profiling in Gas Chromatography - Mass Spectrometry Data
Description
Usage
Arguments
Details
Value
Author(s)
References
See Also
Description
Computes the Retetion Index by elastic curve or reference standards interpolation
Usage
1
Arguments
Experiment
A 'MetaboSet' S4 object containing the experiment data previously created by newExp, and after being deconvolved using decBaitMet.
ms.library
The same MS library used in the deconvolution step.
IS.alignid
If NULL, the elastic curve modification will be used to compute the RI (no internal standards needed). Otherwise, IS.alignid contains the AlignID number of the compounds to be used as a reference to compute the retention indexes.
Details
See BaitMet vignette for more details. To open the vignette, execute the following code in R:
vignette("BaitMetManual", package="baitmet")
Value
The function returns an updated S4 'MetaboSet' class, where the compounds RI has been computed.
Author(s)
Xavier Domingo-Almenara. xavier.domingo@urv.cat
References
[1] Targeting the untargeted: BaitMet, an R package for GC-MS library-driven compound profiling in metabolomics. Xavier Domingo-Almenara, Alexandre Perera-Lluna, Gabriel Vivo-Truyols, Gabriela Venturini, Maria Vinaixa, Jesus Brezmes. (2016) Submitted.
See Also
baitmet documentation built on May 2, 2019, 11 a.m.
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Description Usage Arguments Details Value Author(s) References See Also
Description
Computes the Retetion Index by elastic curve or reference standards interpolation
Usage
1 |
Arguments
Experiment |
A 'MetaboSet' S4 object containing the experiment data previously created by newExp, and after being deconvolved using decBaitMet. |
ms.library |
The same MS library used in the deconvolution step. |
IS.alignid |
If NULL, the elastic curve modification will be used to compute the RI (no internal standards needed). Otherwise, IS.alignid contains the AlignID number of the compounds to be used as a reference to compute the retention indexes. |
Details
See BaitMet vignette for more details. To open the vignette, execute the following code in R: vignette("BaitMetManual", package="baitmet")
Value
The function returns an updated S4 'MetaboSet' class, where the compounds RI has been computed.
Author(s)
Xavier Domingo-Almenara. xavier.domingo@urv.cat
References
[1] Targeting the untargeted: BaitMet, an R package for GC-MS library-driven compound profiling in metabolomics. Xavier Domingo-Almenara, Alexandre Perera-Lluna, Gabriel Vivo-Truyols, Gabriela Venturini, Maria Vinaixa, Jesus Brezmes. (2016) Submitted.
See Also
R Package Documentation
Browse R Packages
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Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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