git-svn-id: https://hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/Rdisop@45700 bc3139a8-67e5-0310-9ffc-ced21a209358
s.neumann authored on 02/04/2010 21:19:15
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@@ -1,6 +1,7 @@ |
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2010-04-02 Steffen Neumann <sneumann@ipb-halle.de> |
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* added Selenium to list of elements |
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* added Cobalt to list of elements |
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+ * fixed Selenium abundances and masses |
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2010-02-08 Steffen Neumann <sneumann@ipb-halle.de> |
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* added parameter maxisotopes to getMolecule() and decompose*() |
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@@ -1,6 +1,6 @@ |
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Package: Rdisop |
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Title: Decomposition of Isotopic Patterns |
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-Version: 1.7.3 |
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+Version: 1.7.4 |
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Date: 2010-04-02 |
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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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@@ -116,8 +116,8 @@ initializePSE <- function() {
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mo <- list(name="Mo", mass=91, isotope = list( mass=c(0.906809, 0.0, 0.9050853, 0.9058411, 0.9046785, 0.9060205, 0.905054073, 0.0, 0.907477), |
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abundance=c(0.1484, 0.0, 0.0925, 0.1668, 0.0955, 0.2413, 0.0, 0.0963))) |
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- se <- list(name="Se", mass=79, isotope = list( mass=c(73.9224746, 74, 75.9192120, 76.9199125, 77.9173076, 78, 79.9165196, 81.9166978)-74, |
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- abundance= c( 0.89 , 0.0, 9.37, 7.63, 23.77, 0.0, 49.61, 8.73))) |
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+ se <- list(name="Se", mass=74, isotope = list( mass=c(73.9224746, 74, 75, 75.9192120, 76.9199125, 77.9173076, 79, 79.9165196, 81, 81.9166978)-74, |
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+ abundance=c( 0.89 , 0, 0, 9.37, 7.63, 23.77, 0, 49.61 , 0, 8.73))) |
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list(c,h,d,n,o,p,s, na, k, cl, br, f, i, fe, mg, ca, cd, hg, zn, cu, ni, mn, mo, se, co) |
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} |