Predator data station: A fast data acquisition system for advanced FT-ICR MS experiments

Here, we present the Predator data station, a control system for FT-ICR mass spectrometers that champions speed and experimental flexibility while simultaneously providing stability, ease of use, and the ability to integrate more advanced hardware as it becomes available. The Predator is the first FT-ICR MS data station comprised solely of fast PCI. PXI, and yet faster PXI Express-based commercial data acquisition hardware. Increased data transfer speed is required because recorded transient data count increases linearly at higher magnetic field (higher measured frequency) with extended transient duration for FT-ICR MS instruments. The application of new cell designs with additional compensation voltages, experimental techniques to increase resolution, and experimental techniques that minimize/reject variations in ion abundance exemplify the scope of recent Predator data station implementations. When the above techniques are applied simultaneously, the results give rise to sub-30 ppb rms mass error for 5250 assigned peaks in a petroleum FT-ICR mass spectrum. The Predator data station is designed for facile implementation with any FT-ICR MS instrument. The Predator hardware provides 17 analog voltage outputs and 18 digital TTL outputs synchronized to a single timing source. SWIFT, chirp, and single frequency excitation waveforms are generated by a 100 MSample/s arbitrary waveform generator with a minimum 32 MB of onboard memory and the potential of terabytes of virtual memory via first in-first out (FIFO) buffering. Transient detection is facilitated by a 2-channel, 100 MSample/s digitizer with a minimum of 32 MB of onboard memory per channel. FIFO buffering implementation allows TB transient collection as well. Commercial hardware, royalty-free software solutions, and commercially produced custom printed circuit boards (PCB) for the cell controller ensure open availability. The present data complement numerous extant publications: the Predator data station has been the sole data station for the National High Magnetic Field Laboratory (NHMFL) 9.4T FT-ICR MS instrument since July 2004, and several additional Predator data stations are in operation elsewhere. (C) 2011 Elsevier B.V. All rights reserved.