prepare_hdxviewer_export: Prepares data export for HDX-Viewer

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

Prepares data export for HDX-Viewer

Description

This function produces the data in format suitable for HDX-Viewer. If necessary, this result can be downloaded as the csv file with download indicator set to true.

Usage

prepare_hdxviewer_export(
  x_dat,
  differential = FALSE,
  fractional = TRUE,
  theoretical = FALSE,
  download = FALSE,
  file_path = tempdir()
)

Arguments

x_dat	one state deuterium uptake data or differential uptake data
differential	indicator of x_dat type
fractional	indicator if fractional values are used
theoretical	indicator if theoretical values are used
download	indicator if the result should be downloaded as csv file
file_path	path for saving downloaded file

Value

a data.frame object

Examples

# disabled due to long execution time 

kin_dat <- create_uptake_dataset(alpha_dat, states = "Alpha_KSCN" )
aggregated_dat <- create_aggregated_uptake_dataset(kin_dat)
diff_uptake_dat <- create_diff_uptake_dataset(alpha_dat)
diff_aggregated_dat <- create_aggregated_diff_uptake_dataset(diff_uptake_dat)
prepare_hdxviewer_export(aggregated_dat, differential = FALSE)
# prepare_hdxviewer_export(aggregated_dat, differential = TRUE) # shouldnt work
prepare_hdxviewer_export(diff_aggregated_dat, differential = TRUE)
# prepare_hdxviewer_export(aggregated_dat, differential = FALSE, download = TRUE) # writes a file

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