Description Usage Arguments Value Examples
filtering isotopically labeled analytes according to RT and mass differences
1 2 |
iso1 |
the first labled atom in precusor ion. |
n11 |
the maximum numbers of the first labled atoms expected in the labeled intermediates. |
n12 |
the minimum numbers of the first labled atoms expected in the labeled intermediates. |
iso2 |
the second labled atom in the same precusor ion, default value 'NO' (not exist). |
n21 |
the maximum numbers of the second labled atoms expected in the labeled intermediates, default value 0. |
n22 |
the minimum numbers of the second labled atoms expected in the labeled intermediates, default value 0. |
exp.base |
the control group (fed with unlabled precusor). |
exp.iso |
isotope labeled group. |
ppm |
m/z tolarance, default value 30. |
rt.dif |
retention time tolarance, default value 6 seconds. |
poly |
polymer of the feeding precursor derived metabolites, e.g. dimer poly = 2, trimer poly =3, default value 1. |
results containing unlabled and their corresponding labled analytes, with RT and labeling information.
1 2 3 4 5 6 7 8 | data(lcms)
explist <- prefilter(lcms, subgroup = c("B", "C", "D"), unlabel = "B")
exp.B <- explist$B
exp.C <- explist$C
exp.D <- explist$D
iso.C <- diso(iso1 = 'H2', n11 = 4, n12 = 2, exp.base = exp.B, exp.iso = exp.C)
iso.D <- diso(iso1 = 'C13', n11 = 9, n12 = 6, iso2 = 'N15', n21 = 1, n22 = 0,
exp.base = iso.C[,1:3], exp.iso = exp.D)
|
Add the following code to your website.
For more information on customizing the embed code, read Embedding Snippets.