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	<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/api.php?action=feedcontributions&amp;feedformat=atom&amp;user=Nkessler</id>
	<title>BRF-Software - User contributions [en]</title>
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	<updated>2026-04-30T04:25:48Z</updated>
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	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3515</id>
		<title>MeltDBWiki</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3515"/>
		<updated>2011-10-31T15:28:49Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: /* Contact */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
== MeltDB - Metabolomics Software Platform ==&lt;br /&gt;
&lt;br /&gt;
MeltDB is a web based framework for the storage, analysis and visualization of &lt;br /&gt;
metabolomic datasests and their integration with experimental data from &lt;br /&gt;
transcriptomics, genomics and proteomics.&lt;br /&gt;
&lt;br /&gt;
Please also have a look at the [http://www.cebitec.uni-bielefeld.de/groups/brf/software/meltdb_info MeltDB website] for general information.&lt;br /&gt;
&lt;br /&gt;
== Important information for users of Firefox 3 ==&lt;br /&gt;
&lt;br /&gt;
* [[Firefox3|Read this if you experience trouble accessing the MeltDB login page with Firefox 3]].&lt;br /&gt;
&lt;br /&gt;
== NEW: MeltDB ScreenCast Tutorials ==&lt;br /&gt;
&lt;br /&gt;
* [https://meltdb.cebitec.uni-bielefeld.de/cgi-bin/tutorials.cgi Video tutorials for the MeltDB web interface].&lt;br /&gt;
&lt;br /&gt;
== MeltDB Tutorials &amp;amp; HowTos ==&lt;br /&gt;
&lt;br /&gt;
* [[MeltDBWiki/UploadChromas|Upload your chromatogram data in netCDF, mzXML or mzDATA format]].&lt;br /&gt;
* [[MeltDBWiki/ChromaGroups|Organize your chromatograms in replicate groups]].&lt;br /&gt;
* [[MeltDBWiki/DefineExperiment|Combine your chromatogram groups to experiments]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentTIC|Review your raw datasets and evaluate the quality of the chromatograms]].&lt;br /&gt;
* [[MeltDBWiki/ImportXcalibur|Upload your preprocessed results from Xcalibur]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentalFactors|Define your experimental factors according to the recommendations of the MSI]].&lt;br /&gt;
* [[MeltDBWiki/PerformFBCA|Perform chromatogram alignments using the star like feature based approach of MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/PeakDetection|Detect peaks in your chromatograms using MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/RIManual|NEW: Annotate Retention Indices manually.]].&lt;br /&gt;
* [[MeltDBWiki/DatabaseSearch|Search in MS databases and generate Observations for your Peaks.]].&lt;br /&gt;
* [[MeltDBWiki/Profiling|Perform the MeltDB profiling analysis.]].&lt;br /&gt;
* [[MeltDBWiki/HowTos|Run PCA analysis on sample experiment]].&lt;br /&gt;
* [[MeltDBWiki/ConvertingCDF|Converting Thermo Finnigan RAW files to netCDF format]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB Sample Scripts ==&lt;br /&gt;
* [[MeltDBWiki/ListAnnotations|List all annotated peaks of a chromatogram.]]&lt;br /&gt;
&lt;br /&gt;
== Documentation ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de/doc/index.html Core API]&lt;br /&gt;
* [[MeltDBWiki/ClassDiagram|The MeltDB class hierarchy]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB login page ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de meltdb.cebitec.uni-bielefeld.de]&lt;br /&gt;
&lt;br /&gt;
== Misc ==&lt;br /&gt;
* [[MeltDBWiki/RoundingMZ|Rounding m/z values]]&lt;br /&gt;
&lt;br /&gt;
== Contact ==&lt;br /&gt;
Please send an e-mail for account requests or questions concerning the use of MeltDB to:&lt;br /&gt;
meltdb[AT]CeBiTec[DOT]Uni-Bielefeld[DOT]de&lt;br /&gt;
&lt;br /&gt;
For bug reports, please use our bug reporting system [http://bugs.cebitec.uni-bielefeld.de BugZilla].&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3514</id>
		<title>MeltDBWiki</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3514"/>
		<updated>2011-10-31T15:25:20Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: /* MeltDB Tutorials &amp;amp; HowTos */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
== MeltDB - Metabolomics Software Platform ==&lt;br /&gt;
&lt;br /&gt;
MeltDB is a web based framework for the storage, analysis and visualization of &lt;br /&gt;
metabolomic datasests and their integration with experimental data from &lt;br /&gt;
transcriptomics, genomics and proteomics.&lt;br /&gt;
&lt;br /&gt;
Please also have a look at the [http://www.cebitec.uni-bielefeld.de/groups/brf/software/meltdb_info MeltDB website] for general information.&lt;br /&gt;
&lt;br /&gt;
== Important information for users of Firefox 3 ==&lt;br /&gt;
&lt;br /&gt;
* [[Firefox3|Read this if you experience trouble accessing the MeltDB login page with Firefox 3]].&lt;br /&gt;
&lt;br /&gt;
== NEW: MeltDB ScreenCast Tutorials ==&lt;br /&gt;
&lt;br /&gt;
* [https://meltdb.cebitec.uni-bielefeld.de/cgi-bin/tutorials.cgi Video tutorials for the MeltDB web interface].&lt;br /&gt;
&lt;br /&gt;
== MeltDB Tutorials &amp;amp; HowTos ==&lt;br /&gt;
&lt;br /&gt;
* [[MeltDBWiki/UploadChromas|Upload your chromatogram data in netCDF, mzXML or mzDATA format]].&lt;br /&gt;
* [[MeltDBWiki/ChromaGroups|Organize your chromatograms in replicate groups]].&lt;br /&gt;
* [[MeltDBWiki/DefineExperiment|Combine your chromatogram groups to experiments]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentTIC|Review your raw datasets and evaluate the quality of the chromatograms]].&lt;br /&gt;
* [[MeltDBWiki/ImportXcalibur|Upload your preprocessed results from Xcalibur]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentalFactors|Define your experimental factors according to the recommendations of the MSI]].&lt;br /&gt;
* [[MeltDBWiki/PerformFBCA|Perform chromatogram alignments using the star like feature based approach of MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/PeakDetection|Detect peaks in your chromatograms using MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/RIManual|NEW: Annotate Retention Indices manually.]].&lt;br /&gt;
* [[MeltDBWiki/DatabaseSearch|Search in MS databases and generate Observations for your Peaks.]].&lt;br /&gt;
* [[MeltDBWiki/Profiling|Perform the MeltDB profiling analysis.]].&lt;br /&gt;
* [[MeltDBWiki/HowTos|Run PCA analysis on sample experiment]].&lt;br /&gt;
* [[MeltDBWiki/ConvertingCDF|Converting Thermo Finnigan RAW files to netCDF format]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB Sample Scripts ==&lt;br /&gt;
* [[MeltDBWiki/ListAnnotations|List all annotated peaks of a chromatogram.]]&lt;br /&gt;
&lt;br /&gt;
== Documentation ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de/doc/index.html Core API]&lt;br /&gt;
* [[MeltDBWiki/ClassDiagram|The MeltDB class hierarchy]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB login page ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de meltdb.cebitec.uni-bielefeld.de]&lt;br /&gt;
&lt;br /&gt;
== Misc ==&lt;br /&gt;
* [[MeltDBWiki/RoundingMZ|Rounding m/z values]]&lt;br /&gt;
&lt;br /&gt;
== Contact ==&lt;br /&gt;
Please send an e-mail for account requests or questions concerning the use of MeltDB to:&lt;br /&gt;
[[MailTo(meltdb AT cebitec DOT uni DASH bielefeld DOT de)]]&lt;br /&gt;
&lt;br /&gt;
For bug reports, please use our bug reporting system [http://bugs.cebitec.uni-bielefeld.de BugZilla].&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3513</id>
		<title>MeltDBWiki</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3513"/>
		<updated>2011-10-31T15:25:05Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: /* NEW: MeltDB ScreenCast Tutorials */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
== MeltDB - Metabolomics Software Platform ==&lt;br /&gt;
&lt;br /&gt;
MeltDB is a web based framework for the storage, analysis and visualization of &lt;br /&gt;
metabolomic datasests and their integration with experimental data from &lt;br /&gt;
transcriptomics, genomics and proteomics.&lt;br /&gt;
&lt;br /&gt;
Please also have a look at the [http://www.cebitec.uni-bielefeld.de/groups/brf/software/meltdb_info MeltDB website] for general information.&lt;br /&gt;
&lt;br /&gt;
== Important information for users of Firefox 3 ==&lt;br /&gt;
&lt;br /&gt;
* [[Firefox3|Read this if you experience trouble accessing the MeltDB login page with Firefox 3]].&lt;br /&gt;
&lt;br /&gt;
== NEW: MeltDB ScreenCast Tutorials ==&lt;br /&gt;
&lt;br /&gt;
* [https://meltdb.cebitec.uni-bielefeld.de/cgi-bin/tutorials.cgi Video tutorials for the MeltDB web interface].&lt;br /&gt;
&lt;br /&gt;
== MeltDB Tutorials &amp;amp; [[HowTos]] ==&lt;br /&gt;
&lt;br /&gt;
* [[MeltDBWiki/UploadChromas|Upload your chromatogram data in netCDF, mzXML or mzDATA format]].&lt;br /&gt;
* [[MeltDBWiki/ChromaGroups|Organize your chromatograms in replicate groups]].&lt;br /&gt;
* [[MeltDBWiki/DefineExperiment|Combine your chromatogram groups to experiments]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentTIC|Review your raw datasets and evaluate the quality of the chromatograms]].&lt;br /&gt;
* [[MeltDBWiki/ImportXcalibur|Upload your preprocessed results from Xcalibur]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentalFactors|Define your experimental factors according to the recommendations of the MSI]].&lt;br /&gt;
* [[MeltDBWiki/PerformFBCA|Perform chromatogram alignments using the star like feature based approach of MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/PeakDetection|Detect peaks in your chromatograms using MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/RIManual|NEW: Annotate Retention Indices manually.]].&lt;br /&gt;
* [[MeltDBWiki/DatabaseSearch|Search in MS databases and generate Observations for your Peaks.]].&lt;br /&gt;
* [[MeltDBWiki/Profiling|Perform the MeltDB profiling analysis.]].&lt;br /&gt;
* [[MeltDBWiki/HowTos|Run PCA analysis on sample experiment]].&lt;br /&gt;
* [[MeltDBWiki/ConvertingCDF|Converting Thermo Finnigan RAW files to netCDF format]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB Sample Scripts ==&lt;br /&gt;
* [[MeltDBWiki/ListAnnotations|List all annotated peaks of a chromatogram.]]&lt;br /&gt;
&lt;br /&gt;
== Documentation ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de/doc/index.html Core API]&lt;br /&gt;
* [[MeltDBWiki/ClassDiagram|The MeltDB class hierarchy]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB login page ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de meltdb.cebitec.uni-bielefeld.de]&lt;br /&gt;
&lt;br /&gt;
== Misc ==&lt;br /&gt;
* [[MeltDBWiki/RoundingMZ|Rounding m/z values]]&lt;br /&gt;
&lt;br /&gt;
== Contact ==&lt;br /&gt;
Please send an e-mail for account requests or questions concerning the use of MeltDB to:&lt;br /&gt;
[[MailTo(meltdb AT cebitec DOT uni DASH bielefeld DOT de)]]&lt;br /&gt;
&lt;br /&gt;
For bug reports, please use our bug reporting system [http://bugs.cebitec.uni-bielefeld.de BugZilla].&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3512</id>
		<title>MeltDBWiki</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3512"/>
		<updated>2011-10-31T15:24:12Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: /* NEW: MeltDB ScreenCast Tutorials */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
== MeltDB - Metabolomics Software Platform ==&lt;br /&gt;
&lt;br /&gt;
MeltDB is a web based framework for the storage, analysis and visualization of &lt;br /&gt;
metabolomic datasests and their integration with experimental data from &lt;br /&gt;
transcriptomics, genomics and proteomics.&lt;br /&gt;
&lt;br /&gt;
Please also have a look at the [http://www.cebitec.uni-bielefeld.de/groups/brf/software/meltdb_info MeltDB website] for general information.&lt;br /&gt;
&lt;br /&gt;
== Important information for users of Firefox 3 ==&lt;br /&gt;
&lt;br /&gt;
* [[Firefox3|Read this if you experience trouble accessing the MeltDB login page with Firefox 3]].&lt;br /&gt;
&lt;br /&gt;
== NEW: MeltDB [[ScreenCast]] Tutorials ==&lt;br /&gt;
&lt;br /&gt;
* [https://meltdb.cebitec.uni-bielefeld.de/cgi-bin/tutorials.cgi Video tutorials for the MeltDB web interface].&lt;br /&gt;
&lt;br /&gt;
== MeltDB Tutorials &amp;amp; [[HowTos]] ==&lt;br /&gt;
&lt;br /&gt;
* [[MeltDBWiki/UploadChromas|Upload your chromatogram data in netCDF, mzXML or mzDATA format]].&lt;br /&gt;
* [[MeltDBWiki/ChromaGroups|Organize your chromatograms in replicate groups]].&lt;br /&gt;
* [[MeltDBWiki/DefineExperiment|Combine your chromatogram groups to experiments]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentTIC|Review your raw datasets and evaluate the quality of the chromatograms]].&lt;br /&gt;
* [[MeltDBWiki/ImportXcalibur|Upload your preprocessed results from Xcalibur]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentalFactors|Define your experimental factors according to the recommendations of the MSI]].&lt;br /&gt;
* [[MeltDBWiki/PerformFBCA|Perform chromatogram alignments using the star like feature based approach of MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/PeakDetection|Detect peaks in your chromatograms using MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/RIManual|NEW: Annotate Retention Indices manually.]].&lt;br /&gt;
* [[MeltDBWiki/DatabaseSearch|Search in MS databases and generate Observations for your Peaks.]].&lt;br /&gt;
* [[MeltDBWiki/Profiling|Perform the MeltDB profiling analysis.]].&lt;br /&gt;
* [[MeltDBWiki/HowTos|Run PCA analysis on sample experiment]].&lt;br /&gt;
* [[MeltDBWiki/ConvertingCDF|Converting Thermo Finnigan RAW files to netCDF format]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB Sample Scripts ==&lt;br /&gt;
* [[MeltDBWiki/ListAnnotations|List all annotated peaks of a chromatogram.]]&lt;br /&gt;
&lt;br /&gt;
== Documentation ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de/doc/index.html Core API]&lt;br /&gt;
* [[MeltDBWiki/ClassDiagram|The MeltDB class hierarchy]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB login page ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de meltdb.cebitec.uni-bielefeld.de]&lt;br /&gt;
&lt;br /&gt;
== Misc ==&lt;br /&gt;
* [[MeltDBWiki/RoundingMZ|Rounding m/z values]]&lt;br /&gt;
&lt;br /&gt;
== Contact ==&lt;br /&gt;
Please send an e-mail for account requests or questions concerning the use of MeltDB to:&lt;br /&gt;
[[MailTo(meltdb AT cebitec DOT uni DASH bielefeld DOT de)]]&lt;br /&gt;
&lt;br /&gt;
For bug reports, please use our bug reporting system [http://bugs.cebitec.uni-bielefeld.de BugZilla].&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3511</id>
		<title>MeltDBWiki</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki&amp;diff=3511"/>
		<updated>2011-10-31T15:23:43Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: /* NEW: MeltDB ScreenCast Tutorials */&lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
== MeltDB - Metabolomics Software Platform ==&lt;br /&gt;
&lt;br /&gt;
MeltDB is a web based framework for the storage, analysis and visualization of &lt;br /&gt;
metabolomic datasests and their integration with experimental data from &lt;br /&gt;
transcriptomics, genomics and proteomics.&lt;br /&gt;
&lt;br /&gt;
Please also have a look at the [http://www.cebitec.uni-bielefeld.de/groups/brf/software/meltdb_info MeltDB website] for general information.&lt;br /&gt;
&lt;br /&gt;
== Important information for users of Firefox 3 ==&lt;br /&gt;
&lt;br /&gt;
* [[Firefox3|Read this if you experience trouble accessing the MeltDB login page with Firefox 3]].&lt;br /&gt;
&lt;br /&gt;
== NEW: MeltDB [[ScreenCast]] Tutorials ==&lt;br /&gt;
&lt;br /&gt;
* [https://meltdb.cebitec.uni-bielefeld.de/cgi-bin/tutorials.cgi|Video tutorials for the MeltDB web interface].&lt;br /&gt;
&lt;br /&gt;
== MeltDB Tutorials &amp;amp; [[HowTos]] ==&lt;br /&gt;
&lt;br /&gt;
* [[MeltDBWiki/UploadChromas|Upload your chromatogram data in netCDF, mzXML or mzDATA format]].&lt;br /&gt;
* [[MeltDBWiki/ChromaGroups|Organize your chromatograms in replicate groups]].&lt;br /&gt;
* [[MeltDBWiki/DefineExperiment|Combine your chromatogram groups to experiments]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentTIC|Review your raw datasets and evaluate the quality of the chromatograms]].&lt;br /&gt;
* [[MeltDBWiki/ImportXcalibur|Upload your preprocessed results from Xcalibur]].&lt;br /&gt;
* [[MeltDBWiki/ExperimentalFactors|Define your experimental factors according to the recommendations of the MSI]].&lt;br /&gt;
* [[MeltDBWiki/PerformFBCA|Perform chromatogram alignments using the star like feature based approach of MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/PeakDetection|Detect peaks in your chromatograms using MeltDB.]].&lt;br /&gt;
* [[MeltDBWiki/RIManual|NEW: Annotate Retention Indices manually.]].&lt;br /&gt;
* [[MeltDBWiki/DatabaseSearch|Search in MS databases and generate Observations for your Peaks.]].&lt;br /&gt;
* [[MeltDBWiki/Profiling|Perform the MeltDB profiling analysis.]].&lt;br /&gt;
* [[MeltDBWiki/HowTos|Run PCA analysis on sample experiment]].&lt;br /&gt;
* [[MeltDBWiki/ConvertingCDF|Converting Thermo Finnigan RAW files to netCDF format]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB Sample Scripts ==&lt;br /&gt;
* [[MeltDBWiki/ListAnnotations|List all annotated peaks of a chromatogram.]]&lt;br /&gt;
&lt;br /&gt;
== Documentation ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de/doc/index.html Core API]&lt;br /&gt;
* [[MeltDBWiki/ClassDiagram|The MeltDB class hierarchy]]&lt;br /&gt;
&lt;br /&gt;
== MeltDB login page ==&lt;br /&gt;
* [http://meltdb.cebitec.uni-bielefeld.de meltdb.cebitec.uni-bielefeld.de]&lt;br /&gt;
&lt;br /&gt;
== Misc ==&lt;br /&gt;
* [[MeltDBWiki/RoundingMZ|Rounding m/z values]]&lt;br /&gt;
&lt;br /&gt;
== Contact ==&lt;br /&gt;
Please send an e-mail for account requests or questions concerning the use of MeltDB to:&lt;br /&gt;
[[MailTo(meltdb AT cebitec DOT uni DASH bielefeld DOT de)]]&lt;br /&gt;
&lt;br /&gt;
For bug reports, please use our bug reporting system [http://bugs.cebitec.uni-bielefeld.de BugZilla].&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$cdfhist.png&amp;diff=3510</id>
		<title>File:MeltDBWiki$$RoundingMZ$cdfhist.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$cdfhist.png&amp;diff=3510"/>
		<updated>2011-10-31T15:19:15Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$mzfrac.png&amp;diff=3509</id>
		<title>File:MeltDBWiki$$RoundingMZ$mzfrac.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$mzfrac.png&amp;diff=3509"/>
		<updated>2011-10-31T15:19:08Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$histmz.png&amp;diff=3508</id>
		<title>File:MeltDBWiki$$RoundingMZ$histmz.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$histmz.png&amp;diff=3508"/>
		<updated>2011-10-31T15:19:01Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$scatter.png&amp;diff=3507</id>
		<title>File:MeltDBWiki$$RoundingMZ$scatter.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$scatter.png&amp;diff=3507"/>
		<updated>2011-10-31T15:18:54Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$histweight.png&amp;diff=3506</id>
		<title>File:MeltDBWiki$$RoundingMZ$histweight.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RoundingMZ$histweight.png&amp;diff=3506"/>
		<updated>2011-10-31T15:18:46Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$ClassDiagram$classes2.png&amp;diff=3505</id>
		<title>File:MeltDBWiki$$ClassDiagram$classes2.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$ClassDiagram$classes2.png&amp;diff=3505"/>
		<updated>2011-10-31T15:15:17Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$ConvertingCDF$converter2.png&amp;diff=3504</id>
		<title>File:MeltDBWiki$$ConvertingCDF$converter2.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$ConvertingCDF$converter2.png&amp;diff=3504"/>
		<updated>2011-10-31T15:14:04Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$ConvertingCDF$converter.png&amp;diff=3503</id>
		<title>File:MeltDBWiki$$ConvertingCDF$converter.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$ConvertingCDF$converter.png&amp;diff=3503"/>
		<updated>2011-10-31T15:13:54Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$HowTos$pca.png&amp;diff=3502</id>
		<title>File:MeltDBWiki$$HowTos$pca.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$HowTos$pca.png&amp;diff=3502"/>
		<updated>2011-10-31T15:12:34Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$HowTos$carbon_sources.png&amp;diff=3501</id>
		<title>File:MeltDBWiki$$HowTos$carbon sources.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$HowTos$carbon_sources.png&amp;diff=3501"/>
		<updated>2011-10-31T15:12:25Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$HowTos$experiments.png&amp;diff=3500</id>
		<title>File:MeltDBWiki$$HowTos$experiments.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$HowTos$experiments.png&amp;diff=3500"/>
		<updated>2011-10-31T15:12:16Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/HowTos&amp;diff=3499</id>
		<title>MeltDBWiki/HowTos</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/HowTos&amp;diff=3499"/>
		<updated>2011-10-31T15:12:05Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
&amp;lt;!-- ##language:en --&amp;gt;&lt;br /&gt;
== Using the public MeltDB experiments ==&lt;br /&gt;
&lt;br /&gt;
* Login to the public MeltDB project using the guest account:&lt;br /&gt;
   [http://meltdb.cebitec.uni-bielefeld.de/cgi-bin/meltdb.cgi?login=guest&amp;amp;chksum=h/Zx4JEg6sz0I6hi97ZfsA&amp;amp;project=MeltDB_Public MeltDB guest login]&lt;br /&gt;
&lt;br /&gt;
* To analyze the publicly available datasets in MeltDB, please select &#039;Browse/Analyse an existing Experiment&#039; from the start page.&lt;br /&gt;
&lt;br /&gt;
 [[Image:MeltDBWiki$$UploadChromas$startpage.png]]&lt;br /&gt;
&lt;br /&gt;
* Select the &#039;Three carbon sources&#039; experiment by clicking on the folder icon to the left.&lt;br /&gt;
&lt;br /&gt;
 [[Image:MeltDBWiki$$HowTos$experiments.png]]&lt;br /&gt;
&lt;br /&gt;
* The textual display of the experiment is presented and a number of potential actions together with their short descriptions are listed below.&lt;br /&gt;
&lt;br /&gt;
 [[Image:MeltDBWiki$$HowTos$carbon_sources.png]]&lt;br /&gt;
&lt;br /&gt;
* Please select &#039;Show PCA&#039; to start the PCA analysis on the previously imported peaks found by Xcalibur preprocessing methods.&lt;br /&gt;
* Select all chromatograms and a list of metabolites and click the &#039;Compute PCA&#039; button. If you would like to log-transform the measured and normalized metabolite values, mark the &#039;log&#039; checkbox.&lt;br /&gt;
&lt;br /&gt;
 [[Image:MeltDBWiki$$HowTos$pca.png]]&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$pca-profiling.png&amp;diff=3498</id>
		<title>File:MeltDBWiki$$Profiling$pca-profiling.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$pca-profiling.png&amp;diff=3498"/>
		<updated>2011-10-31T15:09:13Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$profiling.png&amp;diff=3497</id>
		<title>File:MeltDBWiki$$Profiling$profiling.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$profiling.png&amp;diff=3497"/>
		<updated>2011-10-31T15:09:04Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$fbca.png&amp;diff=3496</id>
		<title>File:MeltDBWiki$$Profiling$fbca.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$fbca.png&amp;diff=3496"/>
		<updated>2011-10-31T15:08:58Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$alignment.png&amp;diff=3495</id>
		<title>File:MeltDBWiki$$Profiling$alignment.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$alignment.png&amp;diff=3495"/>
		<updated>2011-10-31T15:08:51Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$tic.png&amp;diff=3494</id>
		<title>File:MeltDBWiki$$Profiling$tic.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$tic.png&amp;diff=3494"/>
		<updated>2011-10-31T15:08:40Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$xcms.png&amp;diff=3493</id>
		<title>File:MeltDBWiki$$Profiling$xcms.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$xcms.png&amp;diff=3493"/>
		<updated>2011-10-31T15:08:33Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$ra.png&amp;diff=3492</id>
		<title>File:MeltDBWiki$$Profiling$ra.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$Profiling$ra.png&amp;diff=3492"/>
		<updated>2011-10-31T15:08:18Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$jobstatus3.png&amp;diff=3491</id>
		<title>File:MeltDBWiki$$DatabaseSearch$jobstatus3.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$jobstatus3.png&amp;diff=3491"/>
		<updated>2011-10-31T15:05:39Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$jobstatus2.png&amp;diff=3490</id>
		<title>File:MeltDBWiki$$DatabaseSearch$jobstatus2.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$jobstatus2.png&amp;diff=3490"/>
		<updated>2011-10-31T15:05:31Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$jobstatus1.png&amp;diff=3489</id>
		<title>File:MeltDBWiki$$DatabaseSearch$jobstatus1.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$jobstatus1.png&amp;diff=3489"/>
		<updated>2011-10-31T15:05:19Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$runtool1.png&amp;diff=3488</id>
		<title>File:MeltDBWiki$$DatabaseSearch$runtool1.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$runtool1.png&amp;diff=3488"/>
		<updated>2011-10-31T15:05:06Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/DatabaseSearch&amp;diff=3487</id>
		<title>MeltDBWiki/DatabaseSearch</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/DatabaseSearch&amp;diff=3487"/>
		<updated>2011-10-31T15:04:57Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
&amp;lt;!-- ##language:en --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Perform preprocessing methods using MeltDB: [[DatabaseSearch]] ==&lt;br /&gt;
&lt;br /&gt;
* After logging in to MeltDB, navigate to your experiment or chromatogram. Make sure that peaks have already been predicted for your datasets.&lt;br /&gt;
* Select &#039;Run Analysis&#039; from the list of possible actions.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$runtool1.png]] &lt;br /&gt;
&lt;br /&gt;
* A list of applicable tools defined in your MeltDB project is presented. Select e.g. the &#039;CosineGMD&#039; tool to perform a mass spectral search in the public Golm Metabolite Database. The database contains GC/MS mass spectra together with textual descriptions of the measured substances. For several mass spectra in the GMD the Retention Indices according to Kovat&#039;s method are given. Hit the &#039;Submit Job&#039; button.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$runtool2.png]]&lt;br /&gt;
&lt;br /&gt;
* The job is submitted to a compute cluster and you can observe its progress via the &#039;Show job status&#039; dialog.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus1.png]]&lt;br /&gt;
&lt;br /&gt;
* Open the respective job from the list and review the state of the computation. State 5 represents finished jobs, state 3 represents running and state 6 represents failed jobs. A message regarding the current status provides additional information.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus2.png]]&lt;br /&gt;
&lt;br /&gt;
* After the computation is finished, use e.g. the &#039;Show TIC&#039; or &#039;Show 2D&#039; action to navigate to the detected peaks in your chromatograms. MeltDB creates Observations for each peak having a mass spectrum which matches entries in the Golm Metabolite database. The closer the score is to 1.0, the more similiar are the mass spectra. According to the configuration of the CosineGMD tool, several matches may be stored in MeltDB and have been associated to the individual peaks.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus3.png]]&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$runtool2.png&amp;diff=3486</id>
		<title>File:MeltDBWiki$$DatabaseSearch$runtool2.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$DatabaseSearch$runtool2.png&amp;diff=3486"/>
		<updated>2011-10-31T15:04:34Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/DatabaseSearch&amp;diff=3485</id>
		<title>MeltDBWiki/DatabaseSearch</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/DatabaseSearch&amp;diff=3485"/>
		<updated>2011-10-31T15:04:14Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
&amp;lt;!-- ##language:en --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Perform preprocessing methods using MeltDB: [[DatabaseSearch]] ==&lt;br /&gt;
&lt;br /&gt;
* After logging in to MeltDB, navigate to your experiment or chromatogram. Make sure that peaks have already been predicted for your datasets.&lt;br /&gt;
* Select &#039;Run Analysis&#039; from the list of possible actions.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$RIManual$rimanual.png]] &lt;br /&gt;
&lt;br /&gt;
* A list of applicable tools defined in your MeltDB project is presented. Select e.g. the &#039;CosineGMD&#039; tool to perform a mass spectral search in the public Golm Metabolite Database. The database contains GC/MS mass spectra together with textual descriptions of the measured substances. For several mass spectra in the GMD the Retention Indices according to Kovat&#039;s method are given. Hit the &#039;Submit Job&#039; button.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$runtool2.png]]&lt;br /&gt;
&lt;br /&gt;
* The job is submitted to a compute cluster and you can observe its progress via the &#039;Show job status&#039; dialog.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus1.png]]&lt;br /&gt;
&lt;br /&gt;
* Open the respective job from the list and review the state of the computation. State 5 represents finished jobs, state 3 represents running and state 6 represents failed jobs. A message regarding the current status provides additional information.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus2.png]]&lt;br /&gt;
&lt;br /&gt;
* After the computation is finished, use e.g. the &#039;Show TIC&#039; or &#039;Show 2D&#039; action to navigate to the detected peaks in your chromatograms. MeltDB creates Observations for each peak having a mass spectrum which matches entries in the Golm Metabolite database. The closer the score is to 1.0, the more similiar are the mass spectra. According to the configuration of the CosineGMD tool, several matches may be stored in MeltDB and have been associated to the individual peaks.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus3.png]]&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/DatabaseSearch&amp;diff=3484</id>
		<title>MeltDBWiki/DatabaseSearch</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/DatabaseSearch&amp;diff=3484"/>
		<updated>2011-10-31T15:03:49Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
&amp;lt;!-- ##language:en --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Perform preprocessing methods using MeltDB: [[DatabaseSearch]] ==&lt;br /&gt;
&lt;br /&gt;
* After logging in to MeltDB, navigate to your experiment or chromatogram. Make sure that peaks have already been predicted for your datasets.&lt;br /&gt;
* Select &#039;Run Analysis&#039; from the list of possible actions.&lt;br /&gt;
&lt;br /&gt;
  [[MeltDBWiki$$RIManual$rimanual.png]] &lt;br /&gt;
&lt;br /&gt;
* A list of applicable tools defined in your MeltDB project is presented. Select e.g. the &#039;CosineGMD&#039; tool to perform a mass spectral search in the public Golm Metabolite Database. The database contains GC/MS mass spectra together with textual descriptions of the measured substances. For several mass spectra in the GMD the Retention Indices according to Kovat&#039;s method are given. Hit the &#039;Submit Job&#039; button.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$runtool2.png]]&lt;br /&gt;
&lt;br /&gt;
* The job is submitted to a compute cluster and you can observe its progress via the &#039;Show job status&#039; dialog.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus1.png]]&lt;br /&gt;
&lt;br /&gt;
* Open the respective job from the list and review the state of the computation. State 5 represents finished jobs, state 3 represents running and state 6 represents failed jobs. A message regarding the current status provides additional information.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus2.png]]&lt;br /&gt;
&lt;br /&gt;
* After the computation is finished, use e.g. the &#039;Show TIC&#039; or &#039;Show 2D&#039; action to navigate to the detected peaks in your chromatograms. MeltDB creates Observations for each peak having a mass spectrum which matches entries in the Golm Metabolite database. The closer the score is to 1.0, the more similiar are the mass spectra. According to the configuration of the CosineGMD tool, several matches may be stored in MeltDB and have been associated to the individual peaks.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus3.png]]&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/DatabaseSearch&amp;diff=3483</id>
		<title>MeltDBWiki/DatabaseSearch</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/DatabaseSearch&amp;diff=3483"/>
		<updated>2011-10-31T15:03:34Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
&amp;lt;!-- ##language:en --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
== Perform preprocessing methods using MeltDB: [[DatabaseSearch]] ==&lt;br /&gt;
&lt;br /&gt;
* After logging in to MeltDB, navigate to your experiment or chromatogram. Make sure that peaks have already been predicted for your datasets.&lt;br /&gt;
* Select &#039;Run Analysis&#039; from the list of possible actions.&lt;br /&gt;
&lt;br /&gt;
  [[MeltDBWiki$$RIManual$rimanual.png ]] &lt;br /&gt;
&lt;br /&gt;
* A list of applicable tools defined in your MeltDB project is presented. Select e.g. the &#039;CosineGMD&#039; tool to perform a mass spectral search in the public Golm Metabolite Database. The database contains GC/MS mass spectra together with textual descriptions of the measured substances. For several mass spectra in the GMD the Retention Indices according to Kovat&#039;s method are given. Hit the &#039;Submit Job&#039; button.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$runtool2.png]]&lt;br /&gt;
&lt;br /&gt;
* The job is submitted to a compute cluster and you can observe its progress via the &#039;Show job status&#039; dialog.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus1.png]]&lt;br /&gt;
&lt;br /&gt;
* Open the respective job from the list and review the state of the computation. State 5 represents finished jobs, state 3 represents running and state 6 represents failed jobs. A message regarding the current status provides additional information.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus2.png]]&lt;br /&gt;
&lt;br /&gt;
* After the computation is finished, use e.g. the &#039;Show TIC&#039; or &#039;Show 2D&#039; action to navigate to the detected peaks in your chromatograms. MeltDB creates Observations for each peak having a mass spectrum which matches entries in the Golm Metabolite database. The closer the score is to 1.0, the more similiar are the mass spectra. According to the configuration of the CosineGMD tool, several matches may be stored in MeltDB and have been associated to the individual peaks.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$DatabaseSearch$jobstatus3.png]]&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RIManual$ritic.png&amp;diff=3482</id>
		<title>File:MeltDBWiki$$RIManual$ritic.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RIManual$ritic.png&amp;diff=3482"/>
		<updated>2011-10-31T15:00:49Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RIManual$riui2.png&amp;diff=3481</id>
		<title>File:MeltDBWiki$$RIManual$riui2.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RIManual$riui2.png&amp;diff=3481"/>
		<updated>2011-10-31T15:00:42Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RIManual$riui.png&amp;diff=3480</id>
		<title>File:MeltDBWiki$$RIManual$riui.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RIManual$riui.png&amp;diff=3480"/>
		<updated>2011-10-31T15:00:35Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RIManual$rimanual.png&amp;diff=3479</id>
		<title>File:MeltDBWiki$$RIManual$rimanual.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$RIManual$rimanual.png&amp;diff=3479"/>
		<updated>2011-10-31T15:00:25Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PeakDetection$jobstatus3.png&amp;diff=3478</id>
		<title>File:MeltDBWiki$$PeakDetection$jobstatus3.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PeakDetection$jobstatus3.png&amp;diff=3478"/>
		<updated>2011-10-31T14:58:51Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PeakDetection$jobstatus2.png&amp;diff=3477</id>
		<title>File:MeltDBWiki$$PeakDetection$jobstatus2.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PeakDetection$jobstatus2.png&amp;diff=3477"/>
		<updated>2011-10-31T14:58:44Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PeakDetection$jobstatus1.png&amp;diff=3476</id>
		<title>File:MeltDBWiki$$PeakDetection$jobstatus1.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PeakDetection$jobstatus1.png&amp;diff=3476"/>
		<updated>2011-10-31T14:58:37Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PeakDetection$runtool1.png&amp;diff=3475</id>
		<title>File:MeltDBWiki$$PeakDetection$runtool1.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PeakDetection$runtool1.png&amp;diff=3475"/>
		<updated>2011-10-31T14:58:27Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/PerformFBCA&amp;diff=3474</id>
		<title>MeltDBWiki/PerformFBCA</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=MeltDBWiki/PerformFBCA&amp;diff=3474"/>
		<updated>2011-10-31T14:55:06Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;__NOTOC__&lt;br /&gt;
&amp;lt;!-- ##language:en --&amp;gt;&lt;br /&gt;
&lt;br /&gt;
&#039;&#039;&#039;TO BE UPDATED&#039;&#039;&#039;&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
&lt;br /&gt;
== Perform the Feature Based Chromatogram Alignment of MeltDB ==&lt;br /&gt;
&lt;br /&gt;
* After logging in to MeltDB, select your experiment by either a) browsing through the list of available experiments or b) via the search function available at the top.&lt;br /&gt;
&lt;br /&gt;
 a) [[Image:MeltDBWiki$$PerformFBCA$browse.png]]&lt;br /&gt;
&lt;br /&gt;
 b) [[Image:MeltDBWiki$$PerformFBCA$search.png]]&lt;br /&gt;
&lt;br /&gt;
* After selecting your experiment, you can generate a multiple TIC view of the associated chromatograms via the following function:&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$PerformFBCA$tic2.png]] &lt;br /&gt;
&lt;br /&gt;
* The first call to this may take some time since the image needs to be rendered from the raw datasets. Consecutive calls will reuse the generated image. If you change your experiment by adding or removing chromatograms to the chromatogram groups you can repaint the image with the &#039;recreate image&#039; link.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$PerformFBCA$tic.png]]&lt;br /&gt;
&lt;br /&gt;
* Feature based alignment is only possible if a peak detection and/or import was performed on your chromatograms. In order to compute an alignment using the FBCA tool of MeltDB select a representative chromatogram of your experiment. (e.g. click on one peak marked as blue or green spot and select the chromatogram name below). Select the &#039;Compute aligment&#039; action from the chromatogram context menu.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$PerformFBCA$fbca1.png]]&lt;br /&gt;
&lt;br /&gt;
* The FBCA algorithm will generate pairwise alignments of your selected chromatogram with all other chromatograms of the selected experiment. Click &#039;Compute aligment&#039; to start the processing. This may take some time...&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$PerformFBCA$fbca2.png]]&lt;br /&gt;
&lt;br /&gt;
* After the computation is finished, use the &#039;Show alignment&#039; action of your chromatogram to review the results. You can reorder the chromatograms and/or select only subsets of the aligned chromatograms in the dialog. Select the peak detection or importer tools for which you would like to view peaks in the alignment.&lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$PerformFBCA$fbca3.png]]&lt;br /&gt;
&lt;br /&gt;
* The rendering of the aligned image takes some seconds, it allows to quickly spot differences in the aligned chromatograms. &lt;br /&gt;
&lt;br /&gt;
  [[Image:MeltDBWiki$$PerformFBCA$fbca4.png]]&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$fbca4.png&amp;diff=3473</id>
		<title>File:MeltDBWiki$$PerformFBCA$fbca4.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$fbca4.png&amp;diff=3473"/>
		<updated>2011-10-31T14:54:42Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$fbca3.png&amp;diff=3472</id>
		<title>File:MeltDBWiki$$PerformFBCA$fbca3.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$fbca3.png&amp;diff=3472"/>
		<updated>2011-10-31T14:54:33Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$fbca2.png&amp;diff=3471</id>
		<title>File:MeltDBWiki$$PerformFBCA$fbca2.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$fbca2.png&amp;diff=3471"/>
		<updated>2011-10-31T14:54:26Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$fbca1.png&amp;diff=3470</id>
		<title>File:MeltDBWiki$$PerformFBCA$fbca1.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$fbca1.png&amp;diff=3470"/>
		<updated>2011-10-31T14:54:19Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$tic.png&amp;diff=3469</id>
		<title>File:MeltDBWiki$$PerformFBCA$tic.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$tic.png&amp;diff=3469"/>
		<updated>2011-10-31T14:54:07Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$tic2.png&amp;diff=3468</id>
		<title>File:MeltDBWiki$$PerformFBCA$tic2.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$tic2.png&amp;diff=3468"/>
		<updated>2011-10-31T14:53:56Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$search.png&amp;diff=3467</id>
		<title>File:MeltDBWiki$$PerformFBCA$search.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$search.png&amp;diff=3467"/>
		<updated>2011-10-31T14:53:45Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
	<entry>
		<id>https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$browse.png&amp;diff=3466</id>
		<title>File:MeltDBWiki$$PerformFBCA$browse.png</title>
		<link rel="alternate" type="text/html" href="https://wiki.cebitec.uni-bielefeld.de/brf-software/index.php?title=File:MeltDBWiki$$PerformFBCA$browse.png&amp;diff=3466"/>
		<updated>2011-10-31T14:53:32Z</updated>

		<summary type="html">&lt;p&gt;Nkessler: &lt;/p&gt;
&lt;hr /&gt;
&lt;div&gt;&lt;/div&gt;</summary>
		<author><name>Nkessler</name></author>
	</entry>
</feed>