# load isoorbi library
library(isoorbi)
A basic data processing example
# Path to a test file included in the isoorbi pacakge
<- system.file(package = "isoorbi", "extdata", "testfile_flow.isox")
file_path
# Read .isox test data
<- file_path |> orbi_read_isox()
df
# Keep only most important columns; equivalent to simplify check box in IsoX
<- df |> orbi_simplify_isox()
df.simple
# Filter the data
<- df.simple |>
df.filtered orbi_filter_isox(
time_min = 0,
time_max = 1,
compounds = "HSO4-",
isotopocules = c("M0", "34S", "18O")
)
# Clean the data by removing noise and outliers
<- df.filtered |>
df.clean orbi_filter_satellite_peaks() |>
orbi_filter_weak_isotopocules(min_percent = 10) |>
orbi_filter_scan_intensity(outlier_percent = 10)
# Define base peak and calculate the results table
<- df.clean |>
df.results orbi_define_basepeak(basepeak_def = "M0")|>
orbi_summarize_results(ratio_method = "sum")