mspParser: Parse .MSP file to list

In qiangziMS/test08:

Description

Parse .MSP file to list

Usage

mspParser(x = range_idx["5"], quantile_2 = c(0.05, 0.95),
  cpdLib = "kegg", iso1 = 0, iso2 = 1:4, lib_vct = lib,
  nbTol = 0.8, mz_tol = 0.01, mz_only = T, ignoreInt = T, ...)

Arguments

x	index of compound info. (list/vector/tibble)
quantile_2	isotope proportion quantile
cpdLib	library for calculate isotope proportion
lib_vct	.MSP file lines in (vector), without blank lines
nbTol	merge mz tolerance
mz_tol	mz tolerance of isotope
mz_only	ignore isotope proportion, use mz only
...	not used

Value

list with compound info. vector and mz/intensity tibble

Examples

NULL

qiangziMS/test08 documentation built on May 5, 2019, 6:55 p.m.