getSirius: getSirius

In mjhelf/Metaboseek: Metaboseek platform

getSirius

Description

get SIRIUS results for a given spectrum

Usage

getSirius(outfolder, hash, ts)

Arguments

outfolder	folder with SIRIUS results
hash	hash tag to look for
ts	timestamp to look for

Details

Finds a result folder matching the search terms and reads its contents.

• hash copy of hash

• timestamp copy of ts

• allfiles character vector with all files in outfolder

• summary path of the summary_sirius.csv file

• summary_expanded data.frame read in from the summary_sirius.csv file

• annotations list of all files in the spectra subfolder of the result folder

• trees_dot list of all fragmentation tree .dot files

• trees_json list of all fragmentation tree .json files

• summary_fingerid path of the summary_csi_fingerid.csv file

• summary_fingerid_expanded data.frame read in from the summary_csi_fingerid.csv file

• fingerids list of all files in the csi_fingerid subfolder of the result folder

• fingerprints list of all files in the fingerprints subfolder of the result folder

Value

Returns a list with information for a completed SIRIUS job that matches hash and ts in outfolder

mjhelf/Metaboseek documentation built on April 23, 2022, 12:09 p.m.