create_state_comparison_dataset: Creates comparison uptake dataset

In HaDeX2: Analysis and Visualisation of Hydrogen/Deuterium Exchange Mass Spectrometry Data

Creates comparison uptake dataset

Description

Calculates deuterium uptake values for selected biological states in selected time point of measurements.

Usage

create_state_comparison_dataset(
  dat,
  protein = unique(dat[["Protein"]])[1],
  states = unique(dat[["State"]]),
  time_0 = min(dat[["Exposure"]]),
  time_t = unique(dat[["Exposure"]])[3],
  time_100 = max(dat[["Exposure"]]),
  deut_part = 0.9
)

Arguments

dat	data imported by the read_hdx function.
protein	chosen protein.
states	vector of states (for chosen protein), for which the calculations are done.
time_0	minimal exchange control time point of measurement [min].
time_t	time point of the measurement for which the calculations are done [min].
time_100	maximal exchange control time point of measurement [min].
deut_part	deuterium percentage in solution used in experiment, value from range [0, 1].

Details

Function create_state_comparison_dataset is a wrapper for calculate_state_uptake function, calls this function for all (default) or chosen states in states vector.

Value

a data.frame object.

See Also

read_hdx calculate_state_uptake

Examples

comparison_dat <- create_state_comparison_dataset(alpha_dat)
head(comparison_dat)

HaDeX2 documentation built on Feb. 9, 2026, 5:07 p.m.