findknots: Find knots and resolve charge state

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

Find knots and resolve charge state

Description

Find knots and resolve charge state

Usage

findknots(features, .zs = 1:4, ppmwid = 4, rtwid = 1, cd = 13.00335 -
  12)

Arguments

features	data.frame Rows are features. Columns are "cc"
.zs	integer A vector containing the absolute value of the possible charges.
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.

See Also

findzknots

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