get_purity: Calculate mean peak purity
In ethanbass/chromatographR: Chromatographic Data Analysis Toolset

get_purity

R Documentation

Calculate mean peak purity

Estimates peak purity by assessing the dissimilarity of the spectra comprising the peak, using the method described in Stahl 2003.

get_purity(
  x,
  pos,
  weight = 1,
  cutoff = 0.05,
  noise_variance = NULL,
  noise_threshold = 0.01,
  lambdas,
  try = TRUE
)

`x`	A chromatogram in matrix format
`pos`	A vector containing the center, lower and upper bounds of a peak as numeric indices.
`weight`	Weight provided to `get_agilent_threshold`.
`cutoff`	Proportion of maximum absorbance to use as cutoff. Argument to `trim_peak`. Defaults to `.05`.
`noise_variance`	Variance of noise. Argument to `get_agilent_threshold`.
`noise_threshold`	Threshold to define noise. Highest proportion of maximum absorbance. Defaults to `.01`.
`lambdas`	Wavelengths to include in calculations.
`try`	Logical. Whether to estimate the purity or not. Defaults to TRUE.

Returns the mean purity of the peak specified by pos, defined as the proportion of timepoints with purity values below 1.

Ethan Bass

Stahl, Mark. “Peak Purity Analysis in HPLC and CE Using Diode-Array Technology.” Agilent Technologies, April 1, 2003, 16. https://www.agilent.com/cs/library/applications/5988-8647EN.pdf

ethanbass/chromatographR documentation built on April 17, 2025, 10:55 a.m.