ex.cliqueGroups: Example m/z processed data

In cliqueMS: Annotation of Isotopes, Adducts and Fragmentation Adducts for in-Source LC/MS Metabolomics Data

Description

This dataset contains a mass sprectrometry data of metabolite standards MS1 analyses were performed using an UHPLC system (1290 series, Agilent Technologies) coupled to a 6550 ESI-QTOF MS (Agilent Technologies) operated in positive (ESI+) electrospray ionization mode.

The metabolites in this set are the following: (-)riboflavine, 1,2-distearoyl-sn-glycero-3-phosphocholine, biotin, cholic acid, deoxycholic acid, L-methionine sulfoxide, thymine and uracil

Usage

ex.cliqueGroups

Format

It is an 'xcmsSet' object of one sample with 276 features. Has obtained with parameters ppm = 15, method = "centWave", peakwidth = c(5,20), snthresh = 10. then features have been splitted into cliques with getCliques, with default parameters and filter = T. Before getCliques it was used set.seed(1).

cliqueMS documentation built on May 1, 2019, 6:32 p.m.