1. Rdisop
  2. Commit 243a45070de3045f10db283196095d576bee0e64
Browse code

fixed electron mass

git-svn-id: file:///home/git/hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/Rdisop@65324 bc3139a8-67e5-0310-9ffc-ced21a209358

Steffen Neumann authored on 21/04/2012 19:20:05
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ChangeLog
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+2012-04-21  Steffen Neumann  <sneumann@ipb-halle.de>
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+
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+	* R/elements.R (initializeCharges): Fixed electron mass
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+
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 2012-03-28  Steffen Neumann  <sneumann@ipb-halle.de>
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 	* Added citations in package and documentation
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DESCRIPTION
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 Package: Rdisop
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 Title: Decomposition of Isotopic Patterns
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-Version: 1.17.0
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-Date: 2012-03-30
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+Version: 1.17.1
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+Date: 2012-04-21
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 Author: Anton Pervukhin <apervukh@minet.uni-jena.de>, Steffen Neumann <sneumann@ipb-halle.de>
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 Maintainer: Steffen Neumann <sneumann@ipb-halle.de>
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 Description: Identification of metabolites using high precision mass
R/elements.R
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@@ -158,8 +158,8 @@ initializePSE <- function() {
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 }
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 initializeCharges <- function() {
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-    positive <- list(name="+", mass=0, isotope = list(mass=c(-0.005485), abundance=c(1)))
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-    negative <- list(name="-", mass=0, isotope = list(mass=c(+0.005485), abundance=c(1)))
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+    positive <- list(name="+", mass=0, isotope = list(mass=c(-0.00054858), abundance=c(1)))
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+    negative <- list(name="-", mass=0, isotope = list(mass=c(+0.00054858), abundance=c(1)))
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     list(positive, negative)
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 }
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