warpgroupsToXs: A wrapper for integration of warpgroups and packaging as an...

In nathaniel-mahieu/warpgroup: Advanced Alignment, Grouping, and Consensus Peak Bounding of LC/MS Data

Description

warpgroupsToXs returns an xcmsSet with the original groups and peaks replaced by those described in groups.

Usage

warpgroupsToXs(xs, groups, xr.l, ppm.padding = 0.1, min.ppm.width = 0)

Arguments

xs	An xcmsSet object.
groups	The list of warpgroups as output by group.warpgroup(output.groups=TRUE)
xr.l	A list contanining xcmsRaw objects for each sample in the xcmsSet object in order.
ppm.padding	Float. An expansion of the mass window for integration.
min.ppm.width	Float. Any mass windows narrower than this are expanded to this width.

Details

This function simply iterates over each group, integrates the appropriate region from xr.l and packages the results as an xcmsSet.

Value

An xcmsSet with groups and peaks replaced by warpgroup generated ones.

See Also

See https://github.com/nathaniel-mahieu/warpgroup for examples.

nathaniel-mahieu/warpgroup documentation built on May 23, 2019, 12:19 p.m.