Mercurial > repos > recetox > rmassbank

comparison rmassbank.r @ 2:94d6243033ec draft default tip

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/rmassbank commit 02414aa4c20f249c2069e5e3d587e3a8cda923a8
author recetox
date Thu, 18 May 2023 13:00:47 +0000
parents ef3965a6b927
children
comparison
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1:6fa3c0ba2e66 2:94d6243033ec
19 # /path/to/files/1_3_Trifluoromethylphenyl_piperazin_2819_pos.mzML 19 # /path/to/files/1_3_Trifluoromethylphenyl_piperazin_2819_pos.mzML
20 ############################################################# 20 #############################################################
21 # Load libraries 21 # Load libraries
22 rm(list = ls(all = TRUE)) 22 rm(list = ls(all = TRUE))
23 23
24 suppressMessages(library("RMassBank", warn.conflicts = T, quietly = T)) 24 suppressMessages(library("RMassBank", warn.conflicts = TRUE, quietly = TRUE))
25 25
26 ############################################################# 26 #############################################################
27 # Read arguments 27 # Read arguments
28 args <- commandArgs(trailingOnly = TRUE) 28 args <- commandArgs(trailingOnly = TRUE)
29 29