From: SourceForge.net <no...@so...> - 2012-01-26 13:57:02
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Patches item #3480072, was opened at 2012-01-26 05:57 Message generated for change (Tracker Item Submitted) made by beisken You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: master Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: sbeisken (beisken) Assigned to: Nobody/Anonymous (nobody) Summary: Updated isotope abundance values Initial Comment: According to the IUPAC technical report 2009, the representative isotope abundances of Nitrogen and Chlorine are slightly wrong -> Updated. Is there any official reference for the isotopes.xml file? It would be good to link the isotopes.xml file with a particular version of the IUPAC technical report about atomic weights and isotopic compositions. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 |
From: SourceForge.net <no...@so...> - 2012-01-26 20:01:24
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Patches item #3480072, was opened at 2012-01-26 05:57 Message generated for change (Comment added) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: master Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: sbeisken (beisken) Assigned to: Nobody/Anonymous (nobody) Summary: Updated isotope abundance values Initial Comment: According to the IUPAC technical report 2009, the representative isotope abundances of Nitrogen and Chlorine are slightly wrong -> Updated. Is there any official reference for the isotopes.xml file? It would be good to link the isotopes.xml file with a particular version of the IUPAC technical report about atomic weights and isotopic compositions. ---------------------------------------------------------------------- >Comment By: Egon Willighagen (egonw) Date: 2012-01-26 12:01 Message: We use the Blue Obelisk Data Repository: https://sourceforge.net/projects/bodr/ I have filed a report there too: https://sourceforge.net/tracker/?group_id=189199&atid=928369 Are you happy to provide this data as CCZero? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 |
From: SourceForge.net <no...@so...> - 2012-01-27 10:35:08
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Patches item #3480072, was opened at 2012-01-26 05:57 Message generated for change (Comment added) made by beisken You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: master Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: sbeisken (beisken) Assigned to: Nobody/Anonymous (nobody) Summary: Updated isotope abundance values Initial Comment: According to the IUPAC technical report 2009, the representative isotope abundances of Nitrogen and Chlorine are slightly wrong -> Updated. Is there any official reference for the isotopes.xml file? It would be good to link the isotopes.xml file with a particular version of the IUPAC technical report about atomic weights and isotopic compositions. ---------------------------------------------------------------------- >Comment By: sbeisken (beisken) Date: 2012-01-27 02:35 Message: Okay, thanks. Do you happen to know where the Blue Obelisk Data Repository gets its data from? Happy to provide the data as CCZero. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2012-01-26 12:01 Message: We use the Blue Obelisk Data Repository: https://sourceforge.net/projects/bodr/ I have filed a report there too: https://sourceforge.net/tracker/?group_id=189199&atid=928369 Are you happy to provide this data as CCZero? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 |
From: SourceForge.net <no...@so...> - 2012-01-27 10:35:20
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Patches item #3480072, was opened at 2012-01-26 05:57 Message generated for change (Comment added) made by beisken You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: master Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: sbeisken (beisken) Assigned to: Nobody/Anonymous (nobody) Summary: Updated isotope abundance values Initial Comment: According to the IUPAC technical report 2009, the representative isotope abundances of Nitrogen and Chlorine are slightly wrong -> Updated. Is there any official reference for the isotopes.xml file? It would be good to link the isotopes.xml file with a particular version of the IUPAC technical report about atomic weights and isotopic compositions. ---------------------------------------------------------------------- Comment By: sbeisken (beisken) Date: 2012-01-27 02:35 Message: Okay, thanks. Do you happen to know where the Blue Obelisk Data Repository gets its data from? Happy to provide the data as CCZero. ---------------------------------------------------------------------- Comment By: sbeisken (beisken) Date: 2012-01-27 02:35 Message: Okay, thanks. Do you happen to know where the Blue Obelisk Data Repository gets its data from? Happy to provide the data as CCZero. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2012-01-26 12:01 Message: We use the Blue Obelisk Data Repository: https://sourceforge.net/projects/bodr/ I have filed a report there too: https://sourceforge.net/tracker/?group_id=189199&atid=928369 Are you happy to provide this data as CCZero? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 |
From: SourceForge.net <no...@so...> - 2012-01-27 10:46:20
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Patches item #3480072, was opened at 2012-01-26 05:57 Message generated for change (Comment added) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: master Group: None Status: Open Resolution: None Priority: 5 Private: No Submitted By: sbeisken (beisken) Assigned to: Nobody/Anonymous (nobody) Summary: Updated isotope abundance values Initial Comment: According to the IUPAC technical report 2009, the representative isotope abundances of Nitrogen and Chlorine are slightly wrong -> Updated. Is there any official reference for the isotopes.xml file? It would be good to link the isotopes.xml file with a particular version of the IUPAC technical report about atomic weights and isotopic compositions. ---------------------------------------------------------------------- >Comment By: Egon Willighagen (egonw) Date: 2012-01-27 02:46 Message: BODR gets the data from IUPAC recommendations and other source... In the BODR source code repository you'll find *.bibxml files with the details... ---------------------------------------------------------------------- Comment By: sbeisken (beisken) Date: 2012-01-27 02:35 Message: Okay, thanks. Do you happen to know where the Blue Obelisk Data Repository gets its data from? Happy to provide the data as CCZero. ---------------------------------------------------------------------- Comment By: sbeisken (beisken) Date: 2012-01-27 02:35 Message: Okay, thanks. Do you happen to know where the Blue Obelisk Data Repository gets its data from? Happy to provide the data as CCZero. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2012-01-26 12:01 Message: We use the Blue Obelisk Data Repository: https://sourceforge.net/projects/bodr/ I have filed a report there too: https://sourceforge.net/tracker/?group_id=189199&atid=928369 Are you happy to provide this data as CCZero? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 |
From: SourceForge.net <no...@so...> - 2012-02-03 21:21:12
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Patches item #3480072, was opened at 2012-01-26 05:57 Message generated for change (Comment added) made by egonw You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. >Category: cdk-1.4.x Group: None >Status: Closed >Resolution: Accepted Priority: 5 Private: No Submitted By: sbeisken (beisken) Assigned to: Nobody/Anonymous (nobody) Summary: Updated isotope abundance values Initial Comment: According to the IUPAC technical report 2009, the representative isotope abundances of Nitrogen and Chlorine are slightly wrong -> Updated. Is there any official reference for the isotopes.xml file? It would be good to link the isotopes.xml file with a particular version of the IUPAC technical report about atomic weights and isotopic compositions. ---------------------------------------------------------------------- >Comment By: Egon Willighagen (egonw) Date: 2012-02-03 13:21 Message: Was applied to cdk-1.4.x. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2012-01-27 02:46 Message: BODR gets the data from IUPAC recommendations and other source... In the BODR source code repository you'll find *.bibxml files with the details... ---------------------------------------------------------------------- Comment By: sbeisken (beisken) Date: 2012-01-27 02:35 Message: Okay, thanks. Do you happen to know where the Blue Obelisk Data Repository gets its data from? Happy to provide the data as CCZero. ---------------------------------------------------------------------- Comment By: sbeisken (beisken) Date: 2012-01-27 02:35 Message: Okay, thanks. Do you happen to know where the Blue Obelisk Data Repository gets its data from? Happy to provide the data as CCZero. ---------------------------------------------------------------------- Comment By: Egon Willighagen (egonw) Date: 2012-01-26 12:01 Message: We use the Blue Obelisk Data Repository: https://sourceforge.net/projects/bodr/ I have filed a report there too: https://sourceforge.net/tracker/?group_id=189199&atid=928369 Are you happy to provide this data as CCZero? ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=320024&aid=3480072&group_id=20024 |