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Hello armel - thank you for your interest. I'm not sure what is wrong with your script at the moment. But I wanted to raise two possibilities for solving this problem that are simpler than programming custom code.
1.) Agilent just released a new program called the "MassHunter Productivity App" which does exactly this. It uses your existing QQQ Acquisition and Quant methods to enable your lab analysts to rapidly acquire and analyze the data. A core component of this software are compound groups which let you configure panels of compounds to be acquired, analyzed, and reported via Quant without needing to change any method parameters! One simply defines the compound panels one wants to run - and only those compounds will be acquired/reported.
Read more about the MassHunter Productivity App here: MassHunter Productivity App Resources
And here: MassHunter Productivity App | Agilent
Note - while the app is marketed as a 'pesticide screening' tool. The core component of the offering can be used with any routine QQQ acquisition method (including environmental systems). If you're interested let me know and we can get one of our product specialists to give you a demo.
2.) Within Quant - it is possible to use Compound Groups to filter what get's sent to the report. In your Quant method editor - you can select which samples and which compounds are reported. Would this meet your need?
Thank you for your answer.
In fact, we have production constraints that make impossible to use compound groups so we think that your software solution"MassHunter Productivity App Resources" will have the same drawbacks because each time each sample has different compound groups.
Our idea is to use the costum action to "filter" the compounds by sample according to our data system.
We wondering if it's possible to make a Environnemtal test in Visual Studio with script written in C# (not python) by using a specially step that we didn't find in the documentation.We'll do it by not compilate but it's not friendly.
But for now we try to understand how it's work and which files are involved in MassHunter. The issue is maybe simpler than we think (just a .xml file. should be updated)
Can you help us understand how it work. Many thanks in advance for your collaboration
Hi Armel -
I'm afraid I can't be of much further assistance directly. However - we can recommend an out-side contractor consultant - unaffiliated with Agilent - who can assist with these kinds of issues. If you're interested - please send me a direct message (you have to "follow me" in this system in order to send me a DM) and I can provide you with the details.
If you are interested in pursuing the built-in compound group functionality with Quant - or the MassHunter Productivity App - please let me know.
I miss something about C# debugging in visual studio. Python debugging is described really well and it works just as described. But I really preffer C# and i miss something. When I even run Agilent supplied scripts written in C# in a debugging of MassHunter instance I get an exception. How should I start debugging?
Can you, please, help me?
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I'm afraid I can't help you with programmatic debugging like this - it's beyond what we are capable of supporting. However - we can recommend an out-side contractor consultant - unaffiliated with Agilent - who can assist with these kinds of issues. If you're interested - please send me a direct message (you have to "follow me" in this system in order to send me a DM) and I can provide you with the details.
I would really appreciate it.