calculate_rg: Calculate the radius of gyration from FFF-MALS data

In bentrueman/fffprocessr: Process FFF-UV-MALS-ICP-MS Data

Calculate the radius of gyration from FFF-MALS data

Description

Calculate the radius of gyration from FFF-MALS data

Usage

calculate_rg(
  data,
  window = 0.1,
  method = "zimm",
  order = 2,
  calibration = mals_calib
)

Arguments

data	A tibble generated by load_mals().
window	The time interval on which to return calculated radii.
method	Use method "zimm" or "watt". Method "watt" is experimental.
order	Order of polynomial fit for method = "watt"
calibration	A data frame with three columns: number (angle number), theta (angle), and coefficient (MALS instrument calibration constant).

Value

A tibble generated by load_mals() with additional columns 'timeslice', 'theta', 'rayleigh_ratio', and either 'rg_zimm' or 'rg_watt'.

Examples

path <- system.file("extdata/mals", package = "fffprocessr")
mals_data <- load_mals(path = path)
calculate_rg(mals_data)

bentrueman/fffprocessr documentation built on June 23, 2024, 1:23 a.m.