findzknots: Find knots - sets of features with defined spacing and...

In pattilabwu/Credential3.1: An bioinformatics tool for biologically-relavent feature extraction features and untargeted metabolomics method optimization.

Find knots - sets of features with defined spacing and retention time.

Description

Find knots - sets of features with defined spacing and retention time.

Usage

findzknots(features, .z = 1, ppmwid = 5, rtwid = 1, cd = 13.00335 - 12)

Arguments

features	data.frame Rows are features. Columns are "cc"
.z	integer Charge state to assume
ppmwid	numeric The maximum mass error in ppm.
rtwid	numeric The maximum retention time difference in seconds.
cd	numeric The mass spacing to search for (defaults to C13 - C12)

Value

list A list with values "cc_knot" and "knot". cc_knot contains the features assignments to a knot. knot contains aggregate information about each knot.

pattilabwu/Credential3.1 documentation built on April 30, 2022, 12:48 p.m.