xcmsFragments: Constructor for xcmsFragments objects which holds Tandem MS...

In sneumann/xcms: LC-MS and GC-MS Data Analysis

Constructor for xcmsFragments objects which holds Tandem MS peaks

Description

EXPERIMANTAL FEATURE

xcmsFragments is an object similar to xcmsSet, which holds peaks picked (or collected) from one or several xcmsRaw objects.

There are still discussions going on about the exact API for MS$^n$ data, so this is likely to change in the future. The code is not yet pipeline-ified.

Usage

xcmsFragments(xs, ...)

Arguments

xs	A xcmsSet-class object which contains picked ms1-peaks from one or several experiments
...	further arguments to the collect method

Details

After running collect(xFragments,xSet) The peaktable of the xcmsFragments includes the ms1Peaks from all experinemts stored in a xcmsSet-object. Further it contains the relevant MSn-peaks from the xcmsRaw-objects, which were created temporarily with the paths in xcmsSet.

Value

An xcmsFragments object.

Author(s)

Joachim Kutzera, Steffen Neumann, [e-mail]

See Also

xcmsFragments-class, collect

sneumann/xcms documentation built on Nov. 23, 2024, 6:53 p.m.