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Simulations software

We have implemented two in-house software packages: QMS2 for 3D modelling of quadrupole mass filters and linear ion traps and LIT2 for 3D modelling of linear ion traps.

Both programs are based on the boundary element method (BEM) that provides very high electrostatic field accuracy even when a coarse electrode grid is used. Compared to commercial packages, our software has a separate field solving program for high computational efficiency and supports much larger numbers of ions ~1E7 ions (QMS2) and ~5E5 ions (LIT2).

Mass peak optimisation through UV ratio for m/z 4 ions obtained using QMS2 3D program

Mass  peak optimisation through UV ratio for m/z 4 ions obtained using QMS2 3D program.

Mass window isolation for m/z 304 ions with 99% UV ratio in a non-scanning LIT obtained using LIT2 3D program

Mass window isolation for m/z 304 ions with 99% UV ratio in a non-scanning LIT obtained using LIT2 3D program.

References

  1. Effects of Mechanical Tolerances on QMF Performance for Operation in the Third Stability Zone
  2. A Method of Computing Accurate 3D Fields of a Quadrupole Mass Filter and Their Use for Prediction of Filter Behavior