A basic filter function orbi_filter_isox()
for file names, isotopocules, compounds and time ranges. Default value for all parameters is NULL, i.e. no filter is applied.
Usage
orbi_filter_isox(
dataset,
filenames = NULL,
compounds = NULL,
isotopocules = NULL,
time_min = NULL,
time_max = NULL
)
Arguments
- dataset
The IsoX data to be filtered
- filenames
Vector of file names to keep, keeps all if set to
NULL
(the default)- compounds
Vector of compounds to keep, keeps all if set to
NULL
(the default)- isotopocules
Vector of isotopocules to keep, keeps all if set to
NULL
(the default)- time_min
Minimum retention time in minutes (
time.min
), no minimum if set toNULL
(the default)- time_max
Maximum retention time in minutes (
time.min
), no maximum if set toNULL
(the default)
Examples
fpath <- system.file("extdata", "testfile_flow.isox", package = "isoorbi")
df <-
orbi_read_isox(file = fpath) |>
orbi_simplify_isox() |>
orbi_filter_isox(
filenames = c("s3744"),
compounds = "HSO4-",
isotopocules = c("M0", "34S", "18O")
)
#> orbi_read_isox() is loading .isox data from 1 file(s)...
#> - loaded 6449 peaks for 1 compounds (HSO4-) with 5 isotopocules (M0, 33S,
#> 17O, 34S, 18O) from testfile_flow.isox in 0.02 seconds.
#> orbi_simplify_isox() will keep only columns 'filepath', 'filename',
#> 'scan.no', 'time.min', 'compound', 'isotopocule', 'ions.incremental',
#> 'tic', 'it.ms'...
#> ...complete in 0.00 seconds.
#> orbi_filter_isox() is filtering the dataset by filenames (s3744), compounds
#> (HSO4-), isotopocules (M0, 34S, 18O)...
#> ...removed 5159/6449 rows (80.0%) in 0.00 seconds.