ProteinPilot™ 5.x Software: Incorrect Result Output for Instrument Names in the Group File


Date: 03/16/2018
Categories: Academia Omics , Pharma CRO , ProteinPilot Software

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For research use only. Not for use in diagnostic procedures.


Answer

Analyst® TF software companion applications like PeakView® and ProteinPilot™ software the incorrect mass spectrometer name in its group file output file. When a TripleTOF® 5600 system was selected, the group file contains the name QSTAR® Elite instead for system information. This causes the wrong results to be output; if the incorrect instrument name is used, then the incorrect tolerance settings are applied.

Use the following workaround: 
Edit the ParameterTranslation file by copying the TripleTOF 5600 instrument parameters into the QSTAR Elite parameter section. The group files will still say QSTAR Elite, but the proper tolerance settings will be applied. There is no risk to this modification unless actively running searches of both TripleTOF 5600 and QSTAR Elite data. (In which case, toggle between the two parameter translation files.)
 

In the section of the ParameterTranslation file below:
<INSTRUMENT xml:id="INSTRUMENT:12" name="QSTAR Elite ESI" ionization="ESI" taglet_ef="EF_CURVE:1" fraglet_correction="1" quant_threshold_sn="5"> 
<AUTO_CALIBRATION ms="true" msms="true" msmstolsdratio="4" mstolsdratio="4" type="dalton" squareroot="true" /> 
<MSTOLERANCE VALUE="0.2" TYPE="dalton"/> 
<MSMSTOLERANCE VALUE="0.2" TYPE="dalton"/> 
<MS_STANDARD_DEVIATION VALUE="0.0076" TYPE="dalton"/> 
<MSMS_STANDARD_DEVIATION VALUE="0.015" TYPE="dalton"/> 
<DEFAULT_CHARGE_STATE charge="2"/> 
<DEFAULT_CHARGE_STATE charge="3"/> 
<DEFAULT_CHARGE_STATE charge="4"/> 
</INSTRUMENT> 
 
Change it to:
<INSTRUMENT xml:id="INSTRUMENT:12" name="QSTAR Elite ESI" ionization="ESI" taglet_ef="EF_CURVE:1" fraglet_correction="1" quant_threshold_sn="5"> 
<AUTO_CALIBRATION ms="true" msms="true" msmstolsdratio="2.75" mstolsdratio="7" type="dalton" squareroot="true"/> 
<MSTOLERANCE VALUE="0.05" TYPE="dalton"/> 
<MSMSTOLERANCE VALUE="0.1" TYPE="dalton"/> 
<MS_STANDARD_DEVIATION VALUE="0.0011" TYPE="dalton"/> 
<MSMS_STANDARD_DEVIATION VALUE="0.01" TYPE="dalton"/>
<DEFAULT_CHARGE_STATE charge="2"/> 
<DEFAULT_CHARGE_STATE charge="3"/> 
<DEFAULT_CHARGE_STATE charge="4"/> 
</INSTRUMENT> 

Please go to C:\Program Files\AB SCIEX\ProteinPilot\WorkflowDirectory, and back up the existing ParameterTranslation.xml, file and then copy in the edited version.