readMsp: Title This function is come form R package named "metaMS"....

In zhengfj1994/MetEx: Targeted extraction from untargeted metabolomics dataset by using metabolomics database

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.

Description

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.

Usage

readMsp(
  file,
  only.org = FALSE,
  org.set = c("C", "H", "D", "N", "O", "P", "S"),
  noNumbers = NULL
)

Arguments

file,	the msp file
only.org	FALSE
org.set	c("C", "H", "D", "N", "O", "P", "S")
noNumbers	NULL

Value

mspData

References

This function is come form R package named "metaMS". The original name of this function is "read.msp"

zhengfj1994/MetEx documentation built on Nov. 19, 2023, 1:34 p.m.