Probabilistic Quotient normalization — normalize

Probabilistic Quoteint Normalization estimates for each spectra the the most likely quotient derived form the ratio of the signal distribution and that of a reference spectrum.

normalize_probQuotient(x, ...)

# S3 method for collection
normalize_probQuotient(x, ref = NULL, skip = FALSE, ...)

Arguments

x	A`collection` object
...	further arguments passed to or from other methods(not currenctly used).
ref	A reference spectra. Will use the median spectrum of the collection if set to `NULL`.
skip	Skip the creation of of processor step. If TRUE, this step will not be added to the list of processing steps. Typically reserved for nested function calls.

Value

An updated version of collection.

References

Dieterle, F., Ross, A., Schlotterbeck, G., & Senn, H. (2006). Probabilistic Quotient Normalization as Robust Method to Account for Dilution of Complex Biological Mixtures. Application in1H NMR Metabonomics. Analytical Chemistry, 78(13), 4281–4290. doi:10.1021/ac051632c https://pubmed.ncbi.nlm.nih.gov/16808434/

Examples

library(tidySpectR)

normalize_probQuotient(fa_nmr)
#> Spectra collection containing 6 entries.
#> Number of bins: 2250 
#> Limits: -2.123166e-05 8.999979 
#> Labels: conventional organic 
#> 
#> Processing:
#> Step 1 / 1 : probabilisticQuotient_normalization 

# Provifding a reference spectrum
med <- median_spectrum(fa_nmr)
normalize_probQuotient(fa_nmr, ref = med)
#> Spectra collection containing 6 entries.
#> Number of bins: 2250 
#> Limits: -2.123166e-05 8.999979 
#> Labels: conventional organic 
#> 
#> Processing:
#> Step 1 / 1 : probabilisticQuotient_normalization