fillPeaks.MSW-methods: Integrate areas of missing peaks in FTICR-MS data

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

Integrate areas of missing peaks in FTICR-MS data

Description

For each sample, identify peak groups where that sample is not represented. For each of those peak groups, integrate the signal in the region of that peak group and create a new peak.

Arguments

object

the xcmsSet object

Details

After peak grouping, there will always be peak groups that do not include peaks from every sample. This method produces intensity values for those missing samples by integrating raw data in peak group region. In a given group, the start and ending m/z values for integration are defined by the median start and end points of the other detected peaks.

Value

A xcmsSet objects with filled in peak groups.

Methods

object = "xcmsSet"

fillPeaks.MSW(object)

Note

In contrast to the fillPeaks.chrom method the maximum intensity reported in column "maxo" is not the maximum intensity measured in the expected peak area (defined by columns "mzmin" and "mzmax"), but the largest intensity of mz value(s) closest to the "mzmed" of the feature.

See Also

xcmsSet-class, getPeaks fillPeaks

sneumann/xcms documentation built on Dec. 19, 2024, 5:22 a.m.