find.Unique.mzs: find.Unique.mzs

In BowenNCSU/xMSanalyzer: xMSanalyzer: R package for data analysis, comparison, and annotation of metabolomics data.

Description

This function finds unique m/zs between two datasets.

Usage

find.Unique.mzs(dataA, dataB, mz.thresh = 10, time.thresh = NA, alignment.tool)

Arguments

dataA	apLCMS or XCMS feature table for dataset A
dataB	apLCMS or XCMS feature table for dataset B
mz.thresh	Maximum m/z difference (+/-) ppm
time.thresh	Maximum retention time difference (+/-) seconds
alignment.tool	Name of the feature alignment tool eg: "apLCMS" or "XCMS" or "NA" Use "NA" if the input matrix includes only m/z or both m/z and retnetion time values.

Details

The find.Unique.mzs function operates on two sets of feature lists with m/z for each feature, denoted by L1 and L2, and iterates over all m/z values in L1 to find those that are within a user defined m/z (ppm) threshold in L2.

Value

A list is returned:

uniqueA	Unique m/zs in dataA
uniqueB	Unique m/zs in dataB

Author(s)

Karan Uppal <[e-mail]>

See Also

apLCMS.align, XCMS.align, find.Overlapping.mzs

BowenNCSU/xMSanalyzer documentation built on May 24, 2019, 7:36 a.m.