Abstract: In some embodiments, a tandem (MS/MS) mass spectrometry method includes selecting a collision-induced dissociation (CID) voltage amplitude and a q-parameter value for a quadrupole ion trap to optimize a daughter ion fragmentation process for a given parent ion mass-to-charge (m/z) ratio. The q and CID voltage values may be selected according to a look-up table and/or using approximate analytical expressions. The correspondence between m/z values and (q, CID) value pairs may be established by pre-measurement calibration. A fragmentation-optimized q value may be computed according to m/z, and a CID voltage value may be determined according to the computed q value. A user may also force q to another value, for example in order to facilitate trapping of a desired daughter ion mass range, and the controller computes a CID voltage value according to the forced q value.

Abstract: Radio-frequency (RF) heating is used to accelerate the thermal equilibration of dielectrically lossy nuclear magnetic resonance (NMR) samples. High-power heating RF pulses are applied to the sample before lower-power measurement RF pulses, using any of the NMR probe coils. The heating pulses are offset in frequency relative to the measurement pulses, such that the heating pulses do not magnetically affect the spins of interest. Heating pulse sequences of decreasing power can be used to prevent the sample temperature from overshooting the desired equilibrium temperature. Heating RF pulses can pre-establish the thermal effects of both measurement-independent and measurement-dependent heating. For pre-establishing the thermal effects of measurement-dependent heating, the heating pulse transients are chosen to be proportional to subsequent measurement pulse transients.