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glasgowcompbio / vimms

A programmable and modular LC/MS simulator in Python
MIT License
19 stars 6 forks source link

Create a controller that takes an inclusion list #140

Closed sdrogers closed 4 years ago

sdrogers commented 4 years ago

Generally useful, but particularly will allow us to generate an MS2 library for the std mixes

Controller will take m/z and RT ranges for a number of chemicals, a set of CEs and a target number of MS2 acquisitions. It will then try and make this target for each CE for each chemical.