
Flag minor satellite peaks Flags minor signals for an isotopocule that matches multiple peaks within its exact mass +/- tolerance interval in the same scan. These are often small satellite peaks generated by the Fourier transform. However, if there are satelite peaks of high intensity or very many satellite peaks, it can indicate that the m/z and tolerance setting used for identifying isotopcules need to be revisited. Visualize the flagged satellite peaks with orbi_plot_satellite_peaks()
.
Source: R/processing.R
orbi_flag_satellite_peaks.Rd
Flag minor satellite peaks
Flags minor signals for an isotopocule that matches multiple peaks within its exact mass +/- tolerance interval in the same scan. These are often small satellite peaks generated by the Fourier transform.
However, if there are satelite peaks of high intensity or very many satellite peaks, it can indicate that the m/z and tolerance setting used for identifying isotopcules need to be revisited.
Visualize the flagged satellite peaks with orbi_plot_satellite_peaks()
.
Arguments
- dataset
An aggregated dataset or a data frame of peaks (i.e. works directly after
orbi_identify_isotopocules()
as well as with a tibble from orbi_get_data(peaks = everything()) or when reading from an IsoX file)
Value
same object as provided in dataset
with new column is_satellite_peak
that flags satellite peaks
Examples
fpath <- system.file("extdata", "testfile_flow.isox", package = "isoorbi")
df <-
orbi_read_isox(file = fpath) |>
orbi_simplify_isox() |>
orbi_flag_satellite_peaks()
#> ✔ [21ms] orbi_read_isox() loaded 6449 peaks for 1 compound (HSO4-) with 5
#> isotopocules (M0, 33S, 17O, 34S, and 18O) from testfile_flow.isox
#> ✔ [9ms] orbi_simplify_isox() kept columns filepath, filename, scan.no,
#> time.min, compound, isotopocule, ions.incremental, tic, and it.ms
#> ✔ [120ms] orbi_flag_satellite_peaks() confirmed there are no satellite peaks