WSD_dataprep: Prepare Raw Data for Weighted Spectral Difference

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

Description

This function takes mulitple data.frame objects (or a list of data.frame objects) in wide format and prepares data for calculation of WSD.

Usage

WSD_dataprep(..., pH, Temp = NULL, ID)

Arguments

...	input in your raw dataframe(s) either in a single list or as seperate inputs (see example).
pH	a numeric or vector corresponding to pH for each data.frame input into the function
Temp	Default NULL if columns of data represent temperatures. a numeric or vector corresponding to Temp condition for each data.frame input into the function
ID	Identifier string of specimen being sampled, or vector of strings if multiple proteins compared simultaneously. Used for grouping for WSD comparison

Value

A tidy dataframe with 5 colummns corresponding to: Wavelength, Temperature, MolarElipticity, pH, and ID for each measurement.

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