filterSOI — filterSOI • RHermes

Performs a series of filters and quality checks to a given SOI list, removing unwanted SOIs in the process.

filterSOI(struct, id, minint = 10000, isofidelity)

# S4 method for RHermesExp,numeric
filterSOI(struct, id, minint = 10000, isofidelity)

Arguments

struct	The RHermesExp object to which the SOI list will be saved.
id	ID of the SOI list to be filtered/checked.
minint	Minimun SOI intensity. All SOIs below this value will be removed from the SOI list
isofidelity	Boolean. Whether to perform an isotopic fidelity check.

Value

A filtered SOI list.

Author

Roger Gine

Examples

struct <- readRDS(system.file("extdata", "exampleObject.rds",
                             package = "RHermes"))
struct <- filterSOI(struct, id = 1, minint = 10000, isofidelity = TRUE)
#> Computing isotopic elution similarity:
#> Calculating isotope similarity:
#> Calculating isotopic fidelity metrics:
#> Removing confirmed isotope entries:
#> Recalculating peaklist for plotting:
#> Calculating adduct similarity: