Description Usage Arguments Details Author(s) References See Also Examples
Sets the relation between the retention times and indexes for a chromatographic method to be used
1 2 | setChrmMethod(method=c("alk.var5","alk.mdn35",
"fame.var5","fame.mdn35"), rt, ri, name="ChromMethod #1")
|
method |
The chromatographic method type to be used, currently, only ALK-VAR5 (alk.var5) type is available. However, this method is compatible with both Alkalanes and FAMEs, but only for chromatographic methods using VAR5-type columns. |
rt |
The retention times (RT) of the reference standards. |
ri |
The retention indexes (RI) of the reference standards. |
name |
The name of the chromatographic method, for further information. |
This function allows initializing a chromatographic method to be used with BaitMet. Please, see BaitMet vignette for more details. To open the vignette, execute the following code in R: vignette("BaitMetManual", package="baitmet")
Xavier Domingo-Almenara. xavier.domingo@urv.cat
[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.
1 2 3 4 5 6 7 8 9 10 | # To set a new chromatographic method, simply
# indicate the retention time and indexes of the
# compounds to be used as a reference for a given
# chromatographic method.
ChrM.Plasma <- setChrmMethod(method="alk.var5",
rt=c(8.39, 10.759, 13.271, 15.604, 17.751, 19.685,
21.471, 23.126, 24.645), ri=c(1225.27, 1326.95,
1526.31, 1729.57, 1928.52, 2131.7, 2342.06,
2548.56, 2739.86))
|
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.