groupnames-XCMSnExp: Generate unique group (feature) names based on mass and...

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

Generate unique group (feature) names based on mass and retention time

Description

groupnames generates names for the identified features from the correspondence analysis based in their mass and retention time. This generates feature names that are equivalent to the group names of the old user interface (aka xcms1).

Usage

## S4 method for signature 'XCMSnExp'
groupnames(object, mzdec = 0, rtdec = 0, template = NULL)

Arguments

object	XCMSnExp object containing correspondence results.
mzdec	integer(1) with the number of decimal places to use for m/z ( defaults to 0).
rtdec	integer(1) with the number of decimal places to use for the retention time (defaults to 0).
template	character with existing group names whose format should be emulated.

Value

character with unique names for each feature in object. The format is ⁠M(m/z)T(time in seconds)⁠.

See Also

XCMSnExp.

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