WSD: Weighted Spectral Difference

In clstacy/WeightedSpectralDifference: Calculation of Weighted Spectral Difference of Circular Dichroism Curves Across Ranges of pH and Temperature

Description

Input data must be in tidy format. This function calculates Weighted Spectral Difference for preprocessed data that has been made with WSD_dataprep or otherwise tidy preprocessed data. Output is a tidy data.frame with all WSD (and SD) values for input raw data.

Usage

WSD(
  data,
  control_temp,
  control_pH,
  units = NULL,
  min_wavelength,
  max_wavelength
)

Arguments

data	A tidy 5 column dataframe containing wavelength, temperature, Molar Elipticity or Radians Measures from Circular Dichroism Experiment, pH, and protein ID columns
control_temp	Temperature of control condition from which to calculate weighted spectral difference
control_pH	pH of control condition from which to calculate weighted spectral difference
units	(unsupported) The units of input data. Defaults to Molar Elipticity. Options: "MolElip", "Radians", etc
min_wavelength	lowest wavelength (from first column of dataframe) to include in weighted spectral difference calculation
max_wavelength	highest wavelength (from first column of dataframe) to include in weighted spectral difference calculation

Value

A tidy data.frame that contains WSD estimates for each condition tested

clstacy/WeightedSpectralDifference documentation built on Dec. 19, 2021, 5:16 p.m.