Description Usage Arguments Value References Examples
Title This function is come form R package named "metaMS". The original name of this function is "read.msp" Beacuse of this function have bug when reading msp files with some complicated compound name. So I changed it to fit my objective. Function reads an msp file, and returns one list of compounds. Argument only.org allow to exclude all molecular formulas with non-organic elements. What exactly are organic elements can be defined with the optional argument org.set. A second optional argument indicates which fields should never be converted into numbers, even if possible.
1 2 3 4 5 6 |
file, |
the msp file |
only.org |
FALSE |
org.set |
c("C", "H", "D", "N", "O", "P", "S") |
noNumbers |
NULL |
mspData
This function is come form R package named "metaMS". The original name of this function is "read.msp"
1 2 | mspData <- readMsp(file =
system.file("extdata/database","MoNA-export-MetaboBASE.msp", package = "MetEx"))
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