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Lua Workshop 2016: Mass spectrometry assay optimization using functional patterns - Bennett Kalafut

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Published on Dec 3, 2016

Determination of fragment ions and tuning of compound-specific ion source and ion-optical parameters is a necessary step in the development of specific and sensitive tandem mass spectrometry assays. Using embedded Lua, we have automated this optimization process for Thermo Fisher Scientific's TSQ Quantiva and TSQ Endura mass spectrometers. Treating the combination of optimizations as function composition and higher-order functions as composable iterators has allowed us to adopt programming concepts from functional languages such as map, filter, reduce, and function decorators/functionals. This has resulted in a simple and flexible design, easily extendable to accommodate new peripherals and new user options such as loop flow injection of samples. I will present this design, including what we do to remove or hide state and side-effects.

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