Mercurial > repos > tomnl > anticipated_purity_lcms

diff spectral_matching.R @ 2:b83bcc259b76 draft

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planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 2e847122cf605951c334858455fc1d3ebdb189e9-dirty
author tomnl
date Tue, 27 Mar 2018 11:41:49 -0400
parents dc00b7222a3c
children e05068fe15a1
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--- a/spectral_matching.R	Tue Mar 27 05:32:57 2018 -0400
+++ b/spectral_matching.R	Tue Mar 27 11:41:49 2018 -0400
@@ -1,5 +1,7 @@
 library(msPurity)
 library(optparse)
+print(sessionInfo())
+
 
 option_list <- list(
   make_option(c("-o", "--out_dir"), type="character"),
@@ -92,4 +94,4 @@
 print(cmd)
 scan_hits <- DBI::dbGetQuery(con, cmd)
 
-write.table(scan_hits, file.path(opt$out_dir, 'scan_hits.tsv'), row.names=FALSE, sep='\t')
\ No newline at end of file
+write.table(scan_hits, file.path(opt$out_dir, 'scan_hits.tsv'), row.names=FALSE, sep='\t')