`fgcz_timsTof_addContent.bash` - identify/log instrument config used for data recording #4
The timsTof Pro is/will be used in combination with different LCs. Currently, we have data recorded using:
Additional LCs might be added in the future.
The instrument control software (Hystar) logs the used/active instrument config in a file named configuration.hss
located in the *.d folder. The XML-formatted file looks like below for a config using timsTof Pro & nanoElute:
<?xml version='1.0'?>
<!--Version: 6.2-->
<root>
<GeneralData Author="" Description="" />
<AdditionalData>
<SelectedWorkflow>LCMS</SelectedWorkflow>
</AdditionalData>
<ModuleInfo ModuleName="Bruker OTOF MS a01a5212-3085-49bf-97cd-c314112dbb7c" ModuleDescription="" ModuleIndex="1" PluginVersion="2" CfgFileType="MS" ModuleSettings="<!--?xml version="1.0"?-->
<root><Description Value="Setting for MS"/><Interface Short="compass" Long="internal software connection"/><PluginProperties><PluginVersion>2.0</PluginVersion><ModuleName></ModuleName><SetToStandby>True</SetToStandby><ShutDownOnExit>True</ShutDownOnExit><ErrorShutDown>True</ErrorShutDown></PluginProperties><CategoryOffered><CategoryType Name="MSControl" Type="MS" DisplayName="timsTOF Pro SN:1854399.00100"/></CategoryOffered><Parameters SerialNo="1854399.00100" Type="otof-series" ProductName="timsTOF Pro"/></root>
">
<DeviceInfo Name="MSControl" Additional="" Type="MS" Category="MS" MainPump="False" TimeOffset="0" DisplayName="timsTOF Pro SN:1854399.00100">
<!--Version: 1.0-->
</DeviceInfo>
</ModuleInfo>
<ModuleInfo ModuleName="Bruker nanoElute e8bfba5b-24f2-4b49-84f2-15970def1cbb" ModuleDescription="" ModuleIndex="2" PluginVersion="2" CfgFileType="SYSTEM" ModuleSettings="<!--?xml version="1.0"?--><root xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema"><Description>Bruker nanoElute Hardware Settings</Description><PluginProperties><PluginVersion>2.0</PluginVersion><ModuleName>Bruker nanoElute e8bfba5b-24f2-4b49-84f2-15970def1cbb</ModuleName><UseStopFlow>FALSE</UseStopFlow><ShutdownOnExit>TRUE</ShutdownOnExit></PluginProperties><CategoryOffered><CategoryType Name="Pump" Type="PUMP" DisplayName="Gradient Pump" /><CategoryType Name="Autosampler" Type="ALS" DisplayName="Autosampler" /></CategoryOffered><ModuleData><HardwareProfile><Autosampler><DeviceIP>192.168.254.210</DeviceIP><Slot1TrayType>VT54</Slot1TrayType><Slot2TrayType>VT54</Slot2TrayType><SampleTrayTemperature>Low</SampleTrayTemperature></Autosampler><LC><DeviceIP>192.168.254.211</DeviceIP></LC><IsSimulate>false</IsSimulate><IsPressurePSI>true</IsPressurePSI><UseIdleProcedure>true</UseIdleProcedure></HardwareProfile></ModuleData></root>">
<DeviceInfo Name="Autosampler" Additional="" Type="ALS" Category="ALS" MainPump="False" TimeOffset="0" DisplayName="Autosampler">
<!--Version: 1.0-->
</DeviceInfo>
<DeviceInfo Name="Pump" Additional="" Type="PUMP" Category="PUMP" MainPump="True" TimeOffset="0" DisplayName="Gradient Pump">
<!--Version: 1.0-->
</DeviceInfo>
</ModuleInfo>
</root>
timsTof Pro & Evosep One:
<?xml version='1.0'?>
<!--Version: 6.2-->
<root>
<GeneralData Author="" Description="" />
<AdditionalData>
<SelectedWorkflow>LCMS</SelectedWorkflow>
</AdditionalData>
<ModuleInfo ModuleName="Agilent ICF System 514a2d76-fd9e-4732-92f5-86b7b1c15d43" ModuleDescription="" ModuleIndex="1" PluginVersion="2" CfgFileType="SYSTEM" ModuleSettings="<root><Description Value="Settings for Agilent ICF System" /><PluginProperties><PluginVersion>2.0</PluginVersion><ModuleName>Agilent ICF System 514a2d76-fd9e-4732-92f5-86b7b1c15d43</ModuleName><UseStopFlow>FALSE</UseStopFlow><NoManualStart>FALSE</NoManualStart><SetToStandby>TRUE</SetToStandby><ShutDownOnExit>TRUE</ShutDownOnExit><ErrorShutDown>TRUE</ErrorShutDown></PluginProperties><Interface Short="LAN" Long="connected via LAN" /><CategoryOffered><CategoryType Name="ICF SAMPLER 1 (SAMPLER0-EVOSEP_ONE-)" Type="ALS" ID="SAMPLER0" DisplayName="SAMPLER EVOSEP_ONE-" /></CategoryOffered><OriginalAgilentConfigurationString>&lt;InstrumentConfig xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema" schemaVersion="1.0.3"&gt;&lt;PackageID&gt;EvosepOneDriver&lt;/PackageID&gt;&lt;Module&gt;&lt;CategoryID&gt;EVOSEP_ONE&lt;/CategoryID&gt;&lt;Name&gt;Evosep One&lt;/Name&gt;&lt;ModuleType&gt;EVOSEP_ONE&lt;/ModuleType&gt;&lt;FirmwareRevision&gt;n/a&lt;/FirmwareRevision&gt;&lt;RapidControlConfiguration&gt;&amp;lt;?xml version="1.0" encoding="utf-16"?&amp;gt;&amp;lt;ConfigurationObject xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:xsd="http://www.w3.org/2001/XMLSchema"&amp;gt;&amp;lt;VersionNumber&amp;gt;1&amp;lt;/VersionNumber&amp;gt;&amp;lt;DeviceName&amp;gt;Evosep One&amp;lt;/DeviceName&amp;gt;&amp;lt;ConnectionInfo&amp;gt;&amp;lt;Address&amp;gt;172.17.17.1&amp;lt;/Address&amp;gt;&amp;lt;Details /&amp;gt;&amp;lt;SharedPort&amp;gt;false&amp;lt;/SharedPort&amp;gt;&amp;lt;SubAddress&amp;gt;172.17.17.2&amp;lt;/SubAddress&amp;gt;&amp;lt;Type&amp;gt;TCPIP&amp;lt;/Type&amp;gt;&amp;lt;/ConnectionInfo&amp;gt;&amp;lt;AutoIdleFlow&amp;gt;true&amp;lt;/AutoIdleFlow&amp;gt;&amp;lt;Address&amp;gt;172.17.17.1&amp;lt;/Address&amp;gt;&amp;lt;SerialNumber&amp;gt;S00030&amp;lt;/SerialNumber&amp;gt;&amp;lt;/ConfigurationObject&amp;gt;&lt;/RapidControlConfiguration&gt;&lt;IsInjector&gt;true&lt;/IsInjector&gt;&lt;HasPretreatment&gt;false&lt;/HasPretreatment&gt;&lt;/Module&gt;&lt;/InstrumentConfig&gt;</OriginalAgilentConfigurationString></root>">
<DeviceInfo Name="ICF SAMPLER 1 (SAMPLER0-EVOSEP_ONE-)" Additional="" Type="ALS" Category="ALS" MainPump="False" TimeOffset="0" DisplayName="SAMPLER EVOSEP_ONE-">
<!--Version: 1.0-->
</DeviceInfo>
</ModuleInfo>
<ModuleInfo ModuleName="Bruker OTOF MS aca38f5d-2092-4673-9bb6-ee8ca65888f8" ModuleDescription="" ModuleIndex="2" PluginVersion="2" CfgFileType="MS" ModuleSettings="<!--?xml version="1.0"?-->
<root><Description Value="Setting for MS"/><Interface Short="compass" Long="internal software connection"/><PluginProperties><PluginVersion>2.0</PluginVersion><ModuleName></ModuleName><SetToStandby>True</SetToStandby><ShutDownOnExit>True</ShutDownOnExit><ErrorShutDown>True</ErrorShutDown></PluginProperties><CategoryOffered><CategoryType Name="MSControl" Type="MS" DisplayName="timsTOF Pro SN:1854399.00100"/></CategoryOffered><Parameters SerialNo="1854399.00100" Type="otof-series" ProductName="timsTOF Pro"/></root>
">
<DeviceInfo Name="MSControl" Additional="" Type="MS" Category="MS" MainPump="False" TimeOffset="0" DisplayName="timsTOF Pro SN:1854399.00100">
<!--Version: 1.0-->
</DeviceInfo>
</ModuleInfo>
</root>
Since downstream processes in the backend might need to be aware of the used config (especially automated system monitoring), we should keep track.
Edited by Christian Panse