getCOSmat: Estimate cosine angles between the vectors representing...

In lauzikaite/massFlowR: LC-MS Data Pre-Processing

Description

Function estimates cosine angles between matching dataset and template peak-groups. Function is applied to a single rt region(bin) and is used in parallel on multiple rt regions. Function is applied to rt region within do_alignPEAKS function.

Usage

getCOSmat(ds_bin, ds_var, tmp_bin, tmp_var, mz_err, rt_err, bins)

Arguments

ds_bin	data.frame for the single rt region of the dataset.
ds_var	character indicating the column name for peak grouping information in the dataset.
tmp_bin	data.frame for the single rt region of the template
tmp_var	character indicating the column name for peak grouping information in the template.
mz_err	numeric specifying the window for peak matching in the MZ dimension.
rt_err	numeric specifying the window for peak matching in the RT dimension.
bins	numeric defying step size used in peak-group spectra binning and vector generation.

Value

Function returns a list with two entries:

• matrix with obtained cosines between all dataset and template peak-groups.

• list with matching template peaks for every peak-group in the dataset.

lauzikaite/massFlowR documentation built on April 29, 2020, 9:45 a.m.