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comparison spectral_matching.R @ 13:4acad02faf32 draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit e6935a8c6a3da23f47a753ab5a8159fa9d165535
author tomnl
date Fri, 11 May 2018 06:08:10 -0400
parents 1a88758357ed
children
comparison
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12:225009d1f603 13:4acad02faf32
1 library(msPurity) 1 library(msPurity)
2 library(msPurityData)
2 library(optparse) 3 library(optparse)
3 print(sessionInfo()) 4 print(sessionInfo())
4 5
5 6
6 option_list <- list( 7 option_list <- list(
7 make_option(c("-o", "--out_dir"), type="character"), 8 make_option(c("-o", "--out_dir"), type="character"),
8 make_option("--target_db_pth", type="character"), 9 make_option("--target_db_pth", type="character"),
9 make_option("--library_db_pth", type="character"), 10 make_option("--library_db_pth", type="character", default=NA),
10 make_option("--ra_thres_l", default=0), 11 make_option("--ra_thres_l", default=0),
11 make_option("--ra_thres_t", default=2), 12 make_option("--ra_thres_t", default=2),
12 make_option("--cores", default=1), 13 make_option("--cores", default=1),
13 make_option("--pol", default='positive'), 14 make_option("--pol", default='positive'),
14 make_option("--ppm_tol_prod", default=10), 15 make_option("--ppm_tol_prod", default=10),