Usage of SmartDriveNMR

SmartDriveNMR is a fully integrated part of IconNMR. The activation is governed by the spectrometer administrator for each user group individually. The user can decide whether SmartDriveNMR should be used for each individual sample; the required inputs are the operating mode and the maximal allowed time per sample. The following table describes the different available modes.

SmartDriveNMR mode behaviour table

To best highlight the difference between OPTime and MAXperiment modes, an NMR sample with an abundant amount of ethanol is considered. In OPTime the acquisition is terminated directly after the scout experiment, whereas in MAXperiment the complete experiment portfolio is fully utilized:

SmartDriveNMR settings results table

SmartDriveNMR Workflow

  1. The user describes and submits the acquisition job using IconNMR. The description can (but does not have to) include structural information (.mol file).
  2. A fast 1D proton spectrum is collected and analyzed.
  3. Depending on the analysis results concerning complexity of the problem and the signal strength, further experiments with optimal parameters might be requested.
  4. Follow-up experiments are scheduled and acquired in full automation if sufficient time is available. Reasoning triggering the acquisition is made available to the user. An automatic structure verification (ASV) at the end of the run is an integrated part of SmartDriveNMR but not mandatory.
SmartDriveNMR workflow
SmartDriveNMR workflow