New features in SetupSeries
The current version offers a few new features: Loopadjust, 19F support, and time calculation has been updated. Additionally, we have a beta-version of a script to feed SetupSeries from Excel.
The small program “SetupSeries” for running series of experiments has been rolled out since quite a while. It is heavily used to run a set of NMR experiments on different samples, or to run different experiments on a single sample, like temperature series. We are very grateful that we regularly receive user feedback such that we can improve the scripts and identify bugs!
The current version now offers a few new features: Loopadjust and 19F support, and time calculation has been updated. Additionally, we have a beta-version of a script to feed SetupSeries from Excel.
Time calculation for TopSpin 3.6
Time calculation was not possible on TS3.2, but after the upgrade of the software on sechs and nine to TS3.6, we were able to implement this. Mind that the time calculation is an approximation. The experiment times should be correct, but the time for sample exchange, temperature equilibration, tuning/matching and shimming may vary considerably. The default time for sample exchange is 180 s, which you can adjust to a more accurate value for your experiment, e.g. to 360 s in a temperature series.
Choice of lock substances
You can now choose between all available lock substances available on the spectrometer. Before, we only offered a minimal list of lock substances which was identical among all spectrometers. Now also user-defined lock substances will appear in the lock drop-down field.
19F support
For 19F experiments the probe needs to be tuned to 1H for shimming and then to 19F for recording. This was not yet possible in automation and a workaround had to be used. Now you can select “Run atma for each experiment”.
Loopadjust
For optimizing lock parameters, one can now select “Run loopadj” as an option. (see the ticked boxes in the screen shot below)
Populate SetupSeries from Excel
For long experiment series it can be inconvenient to type all individual names of samples in SetupSeries. For such situations, there is now an excel sheet, which can export a Sample_List.py file that is readable by SetupSeries. Please contact us if you want to use it, as it is still in testing phase.