README.md

In wilsontom/OptiCal: Optimise Calibrants

OptiCal

Optimise Calibrants

Getting Started

OptiCal can be installed directly from GitHub

remotes::install_github('wilsontom/OptiCal')

The input data needs to be a two column data.frame, with columns named concentration and area

To run the optimisation, use the function

optimised_data <- optimise(calibrant_data, p = 0.6, quad = TRUE)

The p argument (0 - 1) is the minimum proportion of samples that have to be utilised in the calibration models. For example, if the input data is a 10-point calibration curve, and p is 0.6, then each calibration model tested during the optimisation must contain at least 6 samples.

The optimise function will always run a linear model, but if quad = TRUE then a quadratic fit is also included, and the optimum between the tw returned.

wilsontom/OptiCal documentation built on March 24, 2022, 1:20 p.m.