credentialknots: Heuristic search for knots which satisfy credentialing...

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

Heuristic search for knots which satisfy credentialing filters

Description

Heuristic search for knots which satisfy credentialing filters

Usage

credentialknots(Knots, ppmwid = 9, rtwid = 1, mpc = c(12, 120),
  ratio = 1/1, ratio.lim = 0.1, maxnmer = 4, cd = 13.00335 - 12,
  .zs = 1:4)

Arguments

Knots	data.frame Rows are knots.
ppmwid	numeric The maximum mass error in ppm.
rtwid	numeric The maximum retention time difference in seconds.
mpc	numeric Vector containing the minimum and maximum allowable mass per carbon.
ratio	numeric The ratio of U12C/U13C.
ratio.lim	numeric The maximum deviation from that ratio.
maxnmer	integer The biggest n-mer to search for.
cd	numeric The mass spacing to search for (defaults to C13 - C12)
.zs	charge states to be considered

Value

list A list with values "knot_quipu" and "quipu". knot_quipu assigns feature knots to quipu - credentialed groups. quipu contains aggregate information about each credentialed group.

See Also

findknots

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