getSirius: getSirius

View source: R/Functions_SIRIUS.R

getSiriusR Documentation

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.