The MassHunter Productivity App allows a lab manager to add their own methods in addition to the default method. This document will outline some considerations to make when adding custom methods.
1. Method Alignment Error Checking
From the perspective of the Productivity App, a single method consists of an acquisition and analysis method pair, which is what allows the app to automatically analyze the acquired data. Because of this paradigm, the app will perform a thorough vetting of the two methods before import so that a user can be assured that all compounds declared in the acquisition method can be properly analyzed. The app will verify that:
- All compounds in the acquisition method are contained in the analysis method
- All transition information is identical between the methods for all compounds in the acquisition method
- All ISTD compounds in the analysis method exist in the acquisition method for all compounds in the acquisition method that have associated ISTDs
These rules allow the analysis method to contain more compounds than the acquisition method because the extraneous compounds will simply be removed upon analysis. If there are any issues with the two methods, a message will display describing the issues and the methods will not be added to the App.
2. Modifying and Added Custom Method
When a method pair is added to the Productivity App, the app creates a private copy of the method file so that even if you make modifications to the original method, the changes will not affect the method referenced by the app. This was done to ensure the methods are locked once they are added to the app. If you do need to modify a method for any reason, you will need to modify the original method and re-add the modified method to the app. If only the analysis method needs modification, you can simply swap the analysis method from the focused run method (the same validation will apply, see above):
However, if you modify the acquisition method, you will need to remove the old method and re-add both the modified acquisition method and associated analysis method. If all you need to do is adjust the RT values for the method, you can use the RT Tune function offered by the app. For more info, see Tuning Retention Times in the MassHunter Productivity App.
3. ISTD Mapping Import
Any ISTD compound mapping is controlled entirely by the analysis method. If there is ISTD mapping information, the application will use the mapping for method validation (see above) as well as specialized ISTD compound management. Because ISTD compounds are required purely for analysis and are not a target compound of interest, the app will manage ISTD compounds in the following ways:
- When managing compound groups, the app will automatically add any ISTD compounds to the group when you add their mapped target compounds:
- When selecting compounds for acquisition and analysis, ISTD compounds will be hidden and cannot be selected on their own. If a target compound is selected that has an ISTD, that ISTD will automatically be selected as well and will appear in the Analysis Setup panel on the right:
4. Compound Group Import
Compound groups will be automatically imported from the acquisition method, if they have already been defined. The app will treat names separated by commas as different groups. For more information on how compound groups can be used, see Optimizing Efficiency with Compound Groups in the MassHunter Productivity App.
5. Compound Metadata Import
When a method is added to the App, the compound information is imported so that it can be displayed in the compound selection page. If you want to display CAS numbers and formulas alongside the compound name, you can provide a CSV file titled "CompoundMetadata" that contains a list of compound names, CAS numbers, and formulas. For an example of this metadata file, see the installed copy of the default acquisition method at <MassHunter Home>\Methods\Productivity App.