1 Convention

Purpose of groups of functions in the package:

• calculate_* - calculates one specific value. e.q. deuterium uptake values for specific time point.
• create_* - creates a dataset for set of values e.q. multiple time points.
• plot_* - plots a visualization of provided data, accepts calculate_* and create_* outputs.
• show_* - subsets the dataset to show specific values, accepts calculate_* and create_* outputs.

Variables:

• deut_uptake - deuterium uptake [Da]
• frac_deut_uptake - fractional deuterium uptake [%]
• theo_deut_uptake - theoretical deuterium uptake [Da]
• theo_frac_deut_uptake - theoretical fractional deuterium uptake [%]
• diff_deut_uptake - differential deuterium uptake [Da]
• frac_diff_deut_uptake - theoretical differential fractional deuterium uptake [%]
• theo_diff_deut_uptake - differential deuterium uptake [Da]
• theo_frac_diff_deut_uptake - theoretical differential fractional deuterium uptake [%]

2 Example of use

dat <- read_hdx(system.file(package = "HaDeX2", "HaDeX/data/alpha.csv"))

uptake_dat <- create_state_uptake_dataset(dat)

plot_butterfly(uptake_dat)

plot_chiclet(uptake_dat)