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Code usage

1 Convention
2 Example of use
- 2.1 Read data file
- 2.2 Different forms of visualization

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

2.1 Read data file

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

2.2 Different forms of visualization

Create data frame with uptake values for state in all time points:

uptake_dat <- create_state_uptake_dataset(dat)

Butterfly:

plot_butterfly(uptake_dat)

Chiclet:

plot_chiclet(uptake_dat)

These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.