diff xcms_xcmsSet.r @ 37:9ada611dd63f draft

planemo upload for repository https://github.com/workflow4metabolomics/xcms commit 3922356e5edae763800a4311146e2fdeb52c296e
author lecorguille
date Fri, 31 Aug 2018 08:59:03 -0400
parents d39b9aff9cf7
children e8d7395a70b2
line wrap: on
line diff
--- a/xcms_xcmsSet.r	Thu Apr 05 18:05:45 2018 -0400
+++ b/xcms_xcmsSet.r	Fri Aug 31 08:59:03 2018 -0400
@@ -83,6 +83,10 @@
 if (exists("filterAcquisitionNumParam"))  raw_data <- filterAcquisitionNum(raw_data, filterAcquisitionNumParam[1]:filterAcquisitionNumParam[2])
 if (exists("filterRtParam")) raw_data <- filterRt(raw_data, filterRtParam)
 if (exists("filterMzParam")) raw_data <- filterMz(raw_data, filterMzParam)
+#Apply this filter only if file contain MS and MSn
+if(length(unique(msLevel(raw_data)))!= 1){
+	raw_data <- filterMsLevel(raw_data,msLevel=1)
+}
 
 cat("\t\t\tChromatographic peak detection\n")
 # clear the arguement list to remove unexpected key/value as singlefile_galaxyPath or method ...