Estimates peak purity by assessing the dissimilarity of the spectra comprising the peak, using the method described in Stahl 2003.
Usage
get_purity(
x,
pos,
weight = 1,
cutoff = 0.05,
noise_variance = NULL,
noise_threshold = 0.01,
lambdas,
try = TRUE
)Arguments
- 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.
Value
Returns the mean purity of the peak specified by pos, defined
as the proportion of timepoints with purity values below 1.
References
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