prioritizer: Prioritize Samples

View source: R/fct_prioritizer.R

prioritizerR Documentation

Prioritize Samples

Description

Prioritize Samples

Usage

prioritizer(
  pool,
  dendrogram,
  h = NULL,
  k = NULL,
  fractionMetabolitePeaksToRetain,
  minFrequency = 0,
  minNumber = NA,
  smallMolLowerMassCutoff = 200,
  smallMolUpperMassCutoff = 2000,
  smallMolSnr = 10,
  tolerance = 0.002,
  method = "strict"
)

Arguments

pool

pool connection to IDBac database

dendrogram

dendrogram object to be cut, doesn't necessarily have to be protein dendrogram but labels should be the same as the small molecule data labels

h

numeric scalar (OR a vector) with a height where the tree should be cut.

k

numeric scalar (OR a vector) with the number of clusters the tree should be cut into.

fractionMetabolitePeaksToRetain

fraction of small molecule peaks to "capture" when selecting isolates

minFrequency

percent of peaks that must be present in sample replicates (0 to 1)

minNumber

double, remove all peaks which occur in less than minNumber MassPeaks objects. It is an absolute threshold.

smallMolLowerMassCutoff

lower mass cutoff for small molecule spectra

smallMolUpperMassCutoff

upper mass cutoff for small molecule spectra

smallMolSnr

minimum SNR for small molecule spectra

tolerance

double, maximal relative deviation of a peak position (mass) to be considered as identical. Must be multiplied by 10^-6 for ppm, e.g. use tolerance=5e-6 for 5 ppm.

method

bin creation rule. "strict" creates bins never containing two or more peaks of the sampe sample. "relaxed" allows multiple peaks of the same sample in one bin.

Value

prioritization list


chasemc/IDBacApp documentation built on Oct. 22, 2022, 2:52 a.m.