prepare_dataset: Calculate data

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

Description

Calculates values for visualization from input data file - both experimental and theoretical. All parameters are needed.

Usage

prepare_dataset(
  dat,
  in_state_first,
  chosen_state_first,
  out_state_first,
  in_state_second,
  chosen_state_second,
  out_state_second
)

Arguments

dat	data frame with data from DynamX file
in_state_first	string in form "state_time" for first state in in time
chosen_state_first	string in form "state_time" for chosen state in in time
out_state_first	string in form "state_time" for first state in out time
in_state_second	string in form "state_time" for second state in in time
chosen_state_second	string in form "state_time" for second state in chosen time
out_state_second	string in form "state_time" for second state in out time

Details

...

This is the first version - multi-state calculations are not supported.

Value

data frame with calculated values

See Also

read_hdx

Examples

# load example data
dat <- read_hdx(system.file(package = "HaDeX", "HaDeX/data/KD_180110_CD160_HVEM.csv"))

# prepare dataset for states `CD160` and `CD160_HVEM` in given time parameters
prepare_dataset(dat,
                in_state_first = "CD160_0.001",
                chosen_state_first = "CD160_1",
                out_state_first = "CD160_1440",
                in_state_second = "CD160_HVEM_0.001",
                chosen_state_second = "CD160_HVEM_1",
                out_state_second = "CD160_HVEM_1440") 

HaDeX documentation built on Aug. 12, 2021, 5:20 p.m.