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")
)
#> ✔ [20ms] orbi_read_isox() loaded 6449 peaks for 1 compound (HSO4-) with 5
#> isotopocules (M0, 33S, 17O, 34S, and 18O) from testfile_flow.isox
#> ✔ [57ms] orbi_read_isox() read .isox data from 1 file
#> ✔ [5ms] orbi_simplify_isox() kept columns filepath, filename, scan.no,
#> time.min, compound, isotopocule, ions.incremental, tic, and it.ms
#> ✔ [11ms] orbi_filter_isox() filtered the dataset by filenames (s3744),
#> compounds (HSO4-), and isotopocules (M0, 34S, 18O) and removed a total of
#> 5159/6449 rows (80.0%)