Description Usage Arguments Value Author(s)
View source: R/HMDB.Annotation.R
Annotation of features using DB.
1 2 3 4 5 | HMDB.Annotation(dataA, max.mz.diff = 10, num_nodes = 2,
queryadductlist = c("M+2H", "M+H+NH4", "M+ACN+2H",
"M+2ACN+2H", "M+H", "M+NH4", "M+Na", "M+ACN+H",
"M+ACN+Na", "M+2ACN+H", "2M+H", "2M+Na", "2M+ACN+H"),
mode = "pos", outloc)
|
dataA |
Feature table from apLCMS or XCMS. The first column should be m/z. |
max.mz.diff |
Mass tolerance in ppm for database matching. eg: 5 |
num_nodes |
Number of cores to be used for parallel processing. e.g.: 2 |
queryadductlist |
List of adducts to be used for searching. eg: c("M+H","M+Na","M+K"), c("positive") for positive adducts, c("negative") for negative adducts c("all") for all adducts |
mode |
Ionization mode. e.g.: "pos" or "neg" |
outloc |
Output folder location |
An object with annotation results
Karan Uppal <kuppal2@emory.edu>
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