Agilent MassHunter Quantitation Analysis Software

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Presentation transcript:

Agilent MassHunter Quantitation Analysis Software Quant Method Assistant is a standalone Excel workbook that can dynamically generate a valid Quant method from a list of {CompoundName, MZ, RT,…} Please refer to the video : Method Editor - Quant Method Assistant - Advanced.wrf Agilent Technologies MassHunter Quantitative Analysis Software. All the performance, All the time

Text file Excel VBA macro Excel spreadsheet Mass Hunter Quant Agilent MassHunter Quantitative Analysis Software Special Dynamically create Quant method using Excel VBA macro Inputs {compound, MZ} Text file Load New Method from existing file and validate in Quant Method Editor Excel spreadsheet Excel VBA macro Mass Hunter Quant Quant Method Quant Method Assistant is a standalone Excel workbook that can dynamically generate a valid Quant method from a list of {CompoundName, MZ, RT,…} Steps shown… Msxml library Read {compound, MZ} and creates XML document Write out deliverable: Quant method as XML document XML doc All the performance, All the Time

Dynamic Quant Method Creation Target Compound information Excel Quant Method ' Purpose: Create a Quantitation Method ' ' Assumptions: ' Column name match the TargetCompound schema column name ' Column values match the definitions in the QuantitationDataSet ' Steps: ' Create the XML document and protocol ' Read the columns/rows and write out the corresponding XML tagged value ' Each row represents one target compound in the quant method ' Each column represents the setting for that target compound ' Create a simple calibration table necessary for standard quantitation ' Save the document with quantmethod.xml as suffix ' Load this quant method manually into the Quant application ' Extensibility: ' The macro approach was designed for advanced users to extend the capabilities. ' For example: ' Add in additional TargetCompound columns such as SelectedMZ for MRM transitions ' Add in TargetQualifier ions transitions which requires the TargetQualifier table ' Add in ISTD relationships which requires Excel formula logic ' Add in globals such as RelativeISTD analysis ' Error Checking: ' The XML document is written as a set of tagged strings without validation ' Errors in the XML document are discovered when the quant method is loaded using ' Open Method from Existing File... VBA macro writes Quant method (XML document) customizable Excel reformats information from external system into loadable quant method. Agilent Technologies MassHunter Quantitative Analysis Software. All the performance, All the time

Refer to video talking thru steps ' Purpose: Create a Quantitation Method ' ' Assumptions: ' Column name match the TargetCompound schema column name ' Column values match the definitions in the QuantitationDataSet ' Steps: ' Create the XML document and protocol ' Read the columns/rows and write out the corresponding XML tagged value ' Each row represents one target compound in the quant method ' Each column represents the setting for that target compound ' Create a simple calibration table necessary for standard quantitation ' Save the document with quantmethod.xml as suffix ' Load this quant method manually into the Quant application ' Extensibility: ' The macro approach was designed for advanced users to extend the capabilities. ' For example: ' Add in additional TargetCompound columns such as SelectedMZ for MRM transitions ' Add in TargetQualifier ions transitions which requires the TargetQualifier table ' Add in ISTD relationships which requires Excel formula logic ' Add in globals such as RelativeISTD analysis ' Error Checking: ' The XML document is written as a set of tagged strings without validation ' Errors in the XML document are discovered when the quant method is loaded using ' Open Method from Existing File... Agilent Technologies MassHunter Quantitative Analysis Software. All the performance, All the time