annotations2tab: Conversion of a list of annotation results into a table

In rwehrens/metaMS: MS-based metabolomics annotation pipeline

Conversion of a list of annotation results into a table

Description

Function annotations2tab converts the output of matchSamples2DB into a table, in the case of multiple DB hits for one pseudospectrum distinguishing the “best” hit from the “alternative” hits. Function makeAnnotation prepares a data.frame object with the correct number of rows. Both functions are not meant to be called directly by the user.

Usage

annotations2tab(annlist, matches)
makeAnnotation(n)

Arguments

annlist	Annotation list, output of matchSamples2DB.
matches	Object containing all match factors - needed to distinguish the best match from the rest in the case of a double annotation.
n	Number of rows in the annotation data.frame (possibly zero).

Value

A three-column data.frame, containing the numbers of the pseudospectrum in the experimental data, the numbers of the best hits in the DB, and finally the alternative hits ain the DB

Author(s)

Ron Wehrens

rwehrens/metaMS documentation built on Feb. 27, 2023, 5:13 a.m.