Simulating data processing for an advanced ion mobility mass spectrometer

We have designed and implemented a Cray XD 1-based simulation of data capture and signal processing for an advanced Ion Mobility mass spectrometer (Hadamard transform Ion Mobility). Our simulation is a hybrid application that uses both an FPGA component and a CPU-based software component to simulate Ion Mobility mass spectrometry data processing. The FPGA component includes data capture and accumulation, as well as a more sophisticated deconvolution algorithm based on a PNNL-developed enhancement to standard Hadamard transform Ion Mobility spectrometry. The software portion is in charge of streaming data to the FPGA and collecting results. We expect the computational and memory addressing logic of the FPGA component to be portable to an instrument-attached FPGA board that can be interfaced with a Hadamard transform Ion Mobility mass spectrometer.