dotProdSpectra: dot product calculation

In JosieLHayes/adductomicsR: Processing of adductomic mass spectral datasets

Description

hierarchical clustering (complete method see hclust). Dissimilarity metric based on 1-dot product spectral similarity. Retention time and mass groups are therefore further subdivided based on spectral similarity. If outlying mass spectra have been erroneously grouped then these will be reclassified.

Usage

dotProdSpectra(adductSpectra = NULL, nCores = NULL, 
minDotProdSpec = 0.8, maxGroups = 10)

Arguments

adductSpectra	AdductSpec object
nCores	numeric the number of cores to use for parallel computation. The default is to use 1 core.
minDotProdSpec	numeric minimum dot product score
maxGroups	numeric maximum number of groups to include from the dendrogram.

Value

adductSpectra AdductSpec object

JosieLHayes/adductomicsR documentation built on May 5, 2019, 9:43 p.m.