From 6cae7fce65afae049e8f593149dee5fa98eb25ba Mon Sep 17 00:00:00 2001 From: fleisch Date: Fri, 3 Jan 2025 16:11:14 +0100 Subject: [PATCH] release 6.1.0 --- chemistry_base/src/main/resources/sirius.build.properties | 2 +- .../src/main/resources/csi_fingerid.build.properties | 2 +- .../isotope_pattern_analysis.auto.config | 3 ++- sirius_cli/src/main/resources/sirius_frontend.build.properties | 2 +- 4 files changed, 5 insertions(+), 4 deletions(-) diff --git a/chemistry_base/src/main/resources/sirius.build.properties b/chemistry_base/src/main/resources/sirius.build.properties index 8dca55973..c5b7b26e1 100644 --- a/chemistry_base/src/main/resources/sirius.build.properties +++ b/chemistry_base/src/main/resources/sirius.build.properties @@ -2,6 +2,6 @@ de.unijena.bioinf.sirius.build.cplex_version=12.7.1 de.unijena.bioinf.sirius.build.glpk_version=1.7.0 de.unijena.bioinf.sirius.build.gurobi_version=9.1.1 de.unijena.bioinf.sirius.build.cbc_version=2.10.8.29 -de.unijena.bioinf.sirius.version=5.2.0-SNAPSHOT +de.unijena.bioinf.sirius.version=5.2.0 de.unijena.bioinf.sirius.chem.adducts.positive=[M+H]+,[M]+,[M+K]+,[M+Na]+,[M+H-H2O]+,[M+Na2-H]+,[M+2K-H]+,[M+NH4]+,[M+H3O]+,[M+MeOH+H]+,[M+ACN+H]+,[M+2ACN+H]+,[M+IPA+H]+,[M+ACN+Na]+,[M+DMSO+H]+,[M-H4O2+H]+,[2M+H]+,[2M+Na]+,[2M+K]+ de.unijena.bioinf.sirius.chem.adducts.negative=[M-H]-,[M]-,[M+K-2H]-,[M+Cl]-,[M-H2O-H]-,[M+Na-2H]-,[M+FA-H]-,[M+Br]-,[M+Hac-H]-,[M+TFA-H]-,[M+ACN-H]-,[M-ClH-H]-,[M-CH2O3-H]-,[M+H2O-H]-,[M-CH3-H]-,[M-CO2-H]-,[M-H3N-H]-,[2M-H]-,[2M+Cl]-,[2M+Br]- diff --git a/fingerid_base_oss/src/main/resources/csi_fingerid.build.properties b/fingerid_base_oss/src/main/resources/csi_fingerid.build.properties index e53dd5cdc..c1f520bb1 100644 --- a/fingerid_base_oss/src/main/resources/csi_fingerid.build.properties +++ b/fingerid_base_oss/src/main/resources/csi_fingerid.build.properties @@ -1,6 +1,6 @@ # de.unijena.bioinf.fingerid.customdb.version=3 -de.unijena.bioinf.fingerid.version=3.0.8-SNAPSHOT +de.unijena.bioinf.fingerid.version=3.0.8 # ### Server props # REST (DB) settings diff --git a/isotope_pattern/isotope_pattern_analysis/src/main/resources/de.unijena.bioinf.ms.defaults/isotope_pattern_analysis.auto.config b/isotope_pattern/isotope_pattern_analysis/src/main/resources/de.unijena.bioinf.ms.defaults/isotope_pattern_analysis.auto.config index 63a891f71..b13fecd6e 100644 --- a/isotope_pattern/isotope_pattern_analysis/src/main/resources/de.unijena.bioinf.ms.defaults/isotope_pattern_analysis.auto.config +++ b/isotope_pattern/isotope_pattern_analysis/src/main/resources/de.unijena.bioinf.ms.defaults/isotope_pattern_analysis.auto.config @@ -8,4 +8,5 @@ IsotopicIntensitySettings.minimalIntensityToConsider = 0.01 IsotopicIntensitySettings.absoluteIntensityError = 0.02 # The average relative deviation between theoretical and measured intensity of isotope peaks. # Do not change this parameter without a good reason! -IsotopicIntensitySettings.relativeIntensityError = 0.08 \ No newline at end of file +IsotopicIntensitySettings.relativeIntensityError = 0.08 + diff --git a/sirius_cli/src/main/resources/sirius_frontend.build.properties b/sirius_cli/src/main/resources/sirius_frontend.build.properties index ba3d1d1ae..61d20a6c8 100644 --- a/sirius_cli/src/main/resources/sirius_frontend.build.properties +++ b/sirius_cli/src/main/resources/sirius_frontend.build.properties @@ -1,5 +1,5 @@ #here you can provide properties that may be needed during build- AND during runtime and should not be editable by the user at runtime -de.unijena.bioinf.siriusFrontend.version=6.1.0-SNAPSHOT +de.unijena.bioinf.siriusFrontend.version=6.1.0 # de.unijena.bioinf.sirius.http.job.fingerprint.limit = 5000 de.unijena.bioinf.sirius.http.job.canopus.limit = 5000