Description Usage Arguments Value References Examples
View source: R/retentionTimeCalibration.R
Title Use internal standard retention to cailbrate retention time of metabolites in database.
1 | retentionTimeCalibration(is.tR.file, database.df)
|
is.tR.file, |
the txt file of IS retention times in database and experimental. |
database.df, |
the imported database dataframe. |
calibrated.RT.db
Huan, T. et al. DnsID in MyCompoundID for rapid identification of dansylated amine- and phenol-containing metabolites in LC-MS-based metabolomics. Anal. Chem. 87, 9838-9845 (2015).
1 2 3 4 5 | load(system.file("extdata/testData", "dbDataTest.rda", package = "MetEx"))
calibrated.RT.db <- retentionTimeCalibration(is.tR.file =
system.file("extdata/trCalibration",
"IS-for-tR-calibration.xlsx", package = "MetEx"),
database.df = dbDataTest)
|
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