adding an acquisitionNum column to psms - fixes issue #17

sneumann · Feb 5, 2015 · f881535 · f881535
1 parent 9b01612
commit f881535
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Showing 4 changed files with 13 additions and 3 deletions.
diff --git a/DESCRIPTION b/DESCRIPTION
@@ -2,7 +2,7 @@ Package: mzR
 Type: Package
 Title: parser for netCDF, mzXML, mzData and mzML and mzIdentML files
        (mass spectrometry data)
-Version: 2.1.5
+Version: 2.1.6
 Author: Bernd Fischer, Steffen Neumann, Laurent Gatto, Qiang Kou
 Maintainer: Bernd Fischer <bernd.fischer@embl.de>, 
 	    Steffen Neumann <sneumann@ipb-halle.de>, 

diff --git a/NEWS b/NEWS
@@ -1,3 +1,8 @@
+CHANGES IN VERSION 2.1.6
+------------------------
+ o adding an acquisitionNum column to psms (closes issue #17)
+   [2015-02-05 Thu]
+
 CHANGES IN VERSION 2.1.5
 ------------------------
  o don't print '1' to the console when calling get3Dmap

diff --git a/R/methods-mzRident.R b/R/methods-mzRident.R
@@ -4,7 +4,12 @@ setMethod("mzidInfo",
 
 setMethod("psms",
           signature=c("mzRident"),
-          function(object) return(object@backend$getPsmInfo()))
+          function(object) {
+              psms <- object@backend$getPsmInfo()
+              psms$acquisitionNum <-
+                  as.numeric(sub("^.*=([[:digit:]]+)$", "\\1", psms$spectrumID))
+              return(psms)
+          })
 
 setMethod("score",
           signature=c("mzRident"),

diff --git a/R/zzz.R b/R/zzz.R
@@ -1,4 +1,4 @@
-BUILT_RCPP_VERSION = package_version("0.11.2")
+BUILT_RCPP_VERSION = package_version("0.11.4")
 
 .onLoad <-
     function(libname, pkgname) {