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Add an Isotope Distribution Calculator.
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‎openchrom/features/net.openchrom.msd.extensions.cdk.feature/.project

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<?xml version="1.0" encoding="UTF-8"?>
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<projectDescription>
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<name>net.openchrom.msd.extensions.cdk.feature</name>
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<comment></comment>
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<projects>
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</projects>
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<buildSpec>
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<buildCommand>
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<name>org.eclipse.pde.FeatureBuilder</name>
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<arguments>
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</arguments>
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</buildCommand>
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</buildSpec>
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<natures>
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<nature>org.eclipse.pde.FeatureNature</nature>
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</natures>
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</projectDescription>

‎openchrom/features/net.openchrom.msd.extensions.cdk.feature/.settings/org.eclipse.core.resources.prefs

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eclipse.preferences.version=1
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encoding/<project>=UTF-8

‎openchrom/features/net.openchrom.msd.extensions.cdk.feature/build.properties

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bin.includes = feature.xml

‎openchrom/features/net.openchrom.msd.extensions.cdk.feature/feature.xml

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<?xml version="1.0" encoding="UTF-8"?>
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<feature
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id="net.openchrom.msd.extensions.cdk.feature"
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label="CDK Mass Spectrometry"
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version="1.5.3.qualifier"
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provider-name="Lablicate GmbH"
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license-feature="com.lablicate.license"
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license-feature-version="1.5.3.qualifier">
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<description url="https://www.openchrom.net">
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Mass Spectrometry Chemistry Development Kit
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</description>
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<copyright url="https://www.lablicate.net">
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Copyright (c) 2025 Lablicate GmbH.
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</copyright>
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<license url="%licenseURL">
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%license
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</license>
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<plugin
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id="net.openchrom.msd.extensions.cdk.ui"
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version="0.0.0"/>
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<plugin
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id="net.openchrom.msd.extensions.cdk"
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version="0.0.0"/>
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</feature>

‎openchrom/features/net.openchrom.platform.feature/feature.xml

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id="net.openchrom.chromatogram.xxd.report.supplier.pdf.ui.feature"
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version="0.0.0"/>
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<includes
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id="net.openchrom.msd.extensions.cdk.feature"
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version="0.0.0"/>
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<plugin
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id="net.openchrom.rcp.compilation.community.ui"
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version="0.0.0"/>

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/.classpath

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<?xml version="1.0" encoding="UTF-8"?>
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<classpath>
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<classpathentry kind="con" path="org.eclipse.jdt.launching.JRE_CONTAINER/org.eclipse.jdt.internal.debug.ui.launcher.StandardVMType/JavaSE-21"/>
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<classpathentry kind="con" path="org.eclipse.pde.core.requiredPlugins"/>
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<classpathentry kind="src" path="src"/>
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<classpathentry kind="output" path="bin"/>
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</classpath>

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/.gitignore

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/bin
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‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/.project

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<?xml version="1.0" encoding="UTF-8"?>
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<projectDescription>
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<name>net.openchrom.msd.extensions.cdk.ui</name>
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<comment></comment>
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<projects>
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</projects>
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<buildSpec>
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<buildCommand>
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<name>org.eclipse.jdt.core.javabuilder</name>
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<arguments>
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</arguments>
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</buildCommand>
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<buildCommand>
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<name>org.eclipse.pde.ManifestBuilder</name>
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<arguments>
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</arguments>
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</buildCommand>
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<buildCommand>
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<name>org.eclipse.pde.SchemaBuilder</name>
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<arguments>
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</arguments>
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</buildCommand>
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<buildCommand>
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<name>org.eclipse.pde.ds.core.builder</name>
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<arguments>
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</arguments>
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</buildCommand>
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</buildSpec>
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<natures>
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<nature>org.eclipse.pde.PluginNature</nature>
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<nature>org.eclipse.jdt.core.javanature</nature>
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</natures>
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</projectDescription>

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/.settings/org.eclipse.core.resources.prefs

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eclipse.preferences.version=1
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encoding/<project>=UTF-8

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/.settings/org.eclipse.jdt.core.prefs

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eclipse.preferences.version=1
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org.eclipse.jdt.core.compiler.codegen.targetPlatform=21
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org.eclipse.jdt.core.compiler.compliance=21
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org.eclipse.jdt.core.compiler.problem.assertIdentifier=error
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org.eclipse.jdt.core.compiler.problem.enablePreviewFeatures=disabled
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org.eclipse.jdt.core.compiler.problem.enumIdentifier=error
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org.eclipse.jdt.core.compiler.problem.reportPreviewFeatures=warning
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org.eclipse.jdt.core.compiler.release=enabled
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org.eclipse.jdt.core.compiler.source=21

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/.settings/org.eclipse.pde.ds.annotations.prefs

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eclipse.preferences.version=1
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enabled=true
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generateBundleActivationPolicyLazy=true
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path=OSGI-INF
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validationErrorLevel=error
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validationErrorLevel.missingImplicitUnbindMethod=error

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/META-INF/MANIFEST.MF

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Manifest-Version: 1.0
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Bundle-ManifestVersion: 2
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Bundle-Name: CDK Mass Spectrometry UI
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Bundle-SymbolicName: net.openchrom.msd.extensions.cdk.ui;singleton:=true
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Bundle-Version: 1.5.3.qualifier
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Bundle-Activator: net.openchrom.msd.extensions.cdk.ui.Activator
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Bundle-Vendor: OpenChrom
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Require-Bundle: org.eclipse.ui;bundle-version="3.207.100",
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org.eclipse.core.runtime;bundle-version="3.33.0",
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org.eclipse.ui.views;bundle-version="3.6.0",
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org.eclipse.chemclipse.logging;bundle-version="0.9.0",
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org.eclipse.chemclipse.support;bundle-version="0.9.0",
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org.eclipse.chemclipse.support.ui;bundle-version="0.9.0",
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net.openchrom.thirdparty.cdk;bundle-version="2.10.0",
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net.openchrom.msd.extensions.cdk;bundle-version="1.5.3",
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org.eclipse.chemclipse.ux.extension.ui;bundle-version="0.9.0",
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org.eclipse.chemclipse.rcp.ui.icons;bundle-version="0.9.0",
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org.eclipse.chemclipse.ux.extension.xxd.ui;bundle-version="0.9.0",
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org.eclipse.chemclipse.model;bundle-version="0.9.0",
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org.eclipse.chemclipse.msd.model;bundle-version="0.9.0",
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org.eclipse.chemclipse.msd.swt.ui;bundle-version="0.9.0",
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org.eclipse.swtchart.extensions;bundle-version="1.1.0",
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org.eclipse.chemclipse.chromatogram.msd.filter.supplier.xpass;bundle-version="0.9.0"
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Bundle-RequiredExecutionEnvironment: JavaSE-21
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Bundle-ActivationPolicy: lazy
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Automatic-Module-Name: net.openchrom.msd.extensions.cdk.ui
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Model-Fragment: fragment.e4xmi
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Import-Package: jakarta.inject;version="[2.0.0,3.0.0)"

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/OSGI-INF/l10n/bundle_en.properties

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#Properties file

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/build.properties

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bin.includes = META-INF/,\
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.,\
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OSGI-INF/,\
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plugin.xml,\
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fragment.e4xmi
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source.. = src/
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output.. = bin/

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/fragment.e4xmi

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<?xml version="1.0" encoding="ASCII"?>
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<fragment:ModelFragments xmi:version="2.0" xmlns:xmi="http://www.omg.org/XMI" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:basic="http://www.eclipse.org/ui/2010/UIModel/application/descriptor/basic" xmlns:fragment="http://www.eclipse.org/ui/2010/UIModel/fragment" xmi:id="_3IeOkDG_Ee6Tv4Js7LTvsw">
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<fragments xsi:type="fragment:StringModelFragment" xmi:id="_1wpoEDzYEe6hp9DJU-acIA" featurename="descriptors" parentElementId="xpath:/">
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<elements xsi:type="basic:PartDescriptor" xmi:id="_4LerwDzYEe6hp9DJU-acIA" elementId="net.openchrom.msd.extensions.cdk.ui.partdescriptor.isotopeDistributionCalculatorPart" label="Isotope Distribution Calculator" iconURI="platform:/plugin/org.eclipse.chemclipse.rcp.ui.icons/icons/16x16/info.png" tooltip="Calculate isotopic patterns from molecular formulas." closeable="true" contributionURI="bundleclass://net.openchrom.msd.extensions.cdk.ui/net.openchrom.msd.extensions.cdk.ui.parts.IsotopeDistributionCalculatorPart"/>
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</fragments>
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</fragment:ModelFragments>

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/plugin.xml

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<?xml version="1.0" encoding="UTF-8"?>
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<plugin>
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<extension
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point="org.eclipse.ui.preferencePages">
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<page
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name="Chemistry Development Kit (CDK) MS Tools"
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category="org.eclipse.chemclipse.rcp.app.ui.preferences.settingsPreferencePage"
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class="net.openchrom.msd.extensions.cdk.ui.preferences.PreferencePage"
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id="net.openchrom.msd.extensions.cdk.ui.preferences.preferencePage">
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</page>
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</extension>
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</plugin>

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/src/net/openchrom/msd/extensions/cdk/ui/Activator.java

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/*******************************************************************************
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* Copyright (c) 2025 Lablicate GmbH.
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*
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* All rights reserved. This program and the accompanying materials
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* are made available under the terms of the Eclipse Public License v1.0
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* which accompanies this distribution, and is available at
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* http://www.eclipse.org/legal/epl-v10.html
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*
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* Contributors:
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* Philip Wenig - initial API and implementation
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*******************************************************************************/
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package net.openchrom.msd.extensions.cdk.ui;
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import org.eclipse.chemclipse.support.ui.activator.AbstractActivatorUI;
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import org.osgi.framework.BundleContext;
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import net.openchrom.msd.extensions.cdk.preferences.PreferenceSupplier;
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public class Activator extends AbstractActivatorUI {
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private static Activator plugin;
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@Override
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public void start(BundleContext context) throws Exception {
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super.start(context);
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plugin = this;
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initializePreferenceStore(PreferenceSupplier.INSTANCE());
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}
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@Override
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public void stop(BundleContext context) throws Exception {
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plugin = null;
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super.stop(context);
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}
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public static Activator getDefault() {
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return plugin;
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}
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}

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/src/net/openchrom/msd/extensions/cdk/ui/parts/IsotopeDistributionCalculatorPart.java

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/*******************************************************************************
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* Copyright (c) 2025 Lablicate GmbH.
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*
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* All rights reserved. This program and the accompanying materials
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* are made available under the terms of the Eclipse Public License v1.0
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* which accompanies this distribution, and is available at
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* http://www.eclipse.org/legal/epl-v10.html
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*
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* Contributors:
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* Matthias Mailänder - initial API and implementation
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*******************************************************************************/
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package net.openchrom.msd.extensions.cdk.ui.parts;
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import org.eclipse.swt.SWT;
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import org.eclipse.swt.widgets.Composite;
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import net.openchrom.msd.extensions.cdk.ui.swt.ExtendedIsotopeDistributionCalculatorUI;
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import jakarta.inject.Inject;
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public class IsotopeDistributionCalculatorPart {
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@Inject
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public IsotopeDistributionCalculatorPart(Composite parent) {
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new ExtendedIsotopeDistributionCalculatorUI(parent, SWT.NONE);
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}
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}

‎openchrom/plugins/net.openchrom.msd.extensions.cdk.ui/src/net/openchrom/msd/extensions/cdk/ui/preferences/PreferencePage.java

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/*******************************************************************************
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* Copyright (c) 2025 Lablicate GmbH.
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*
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* All rights reserved. This program and the accompanying materials
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* are made available under the terms of the Eclipse Public License v1.0
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* which accompanies this distribution, and is available at
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* http://www.eclipse.org/legal/epl-v10.html
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*
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* Contributors:
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* Matthias Mailänder - initial API and implementation
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*******************************************************************************/
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package net.openchrom.msd.extensions.cdk.ui.preferences;
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import org.eclipse.chemclipse.support.ui.preferences.fieldeditors.DoubleFieldEditor;
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import org.eclipse.jface.preference.FieldEditorPreferencePage;
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import org.eclipse.ui.IWorkbench;
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import org.eclipse.ui.IWorkbenchPreferencePage;
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import net.openchrom.msd.extensions.cdk.preferences.PreferenceSupplier;
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import net.openchrom.msd.extensions.cdk.ui.Activator;
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public class PreferencePage extends FieldEditorPreferencePage implements IWorkbenchPreferencePage {
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public PreferencePage() {
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super(GRID);
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setPreferenceStore(Activator.getDefault().getPreferenceStore());
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setTitle("CDK");
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setDescription("Mass Spectometry using the Chemistry Development Kit");
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}
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@Override
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public void createFieldEditors() {
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addField(new DoubleFieldEditor(PreferenceSupplier.P_MIN_INTENSITY, "Minimum Isotope Intensity", getFieldEditorParent()));
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}
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@Override
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public void init(IWorkbench workbench) {
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}
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}

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