TopSpin News: Python 3 Interface, User Experience and Acquisition Improvements

Webinar Overview

TopSpin is Bruker's industry-standard software for spectrometer control and data processing. In this webinar, we would like to introduce you to the latest features of TopSpin. In addition to the main topics listed below, the speakers will present the latest usability enhancements in TopSpin. At the end of the webinar, a preview of the upcoming TopSpin 4.2 release will be given.

Python 3

Python is the most popular programming language today and there are over 200,000 Python 3 application packages.

TopSpin has included a Python interpreter - Jython - since its earliest releases. Jython is a Python implementation based on the Python 2.7 language standard. One of the limitations of Jython is the very limited use of external Python packages. This is one of the reasons for the introduction of the Python 3 interface for TopSpin. Using this interface makes it possible to use any available Python 3 library and access Topspin parameters, commands, and datasets through a simple API.

Harnessing the power of any Python 3 package combined with the ability to control TopSpin opens up new application areas.

We will present examples of combining advanced Python packages such as NumPy and TopSpin.

Data integrity, data acquisition

Data integrity and consistency is becoming increasingly important. We will introduce a new feature in TopSpin where all inputs required to perform an NMR experiment, such as shaped pulses, delay list, etc., are now stored in the data set. This improves data consistency and enables new features such as restarting the acquisition using the original inputs stored in the data set.

Tuesday July 19, 2022

10:00 AM in EDT / 4:00 PM CEST

watch on demand

Key points

How to use Python 3 in TopSpin
Usability improvements in TopSpin
Acquisition, data consistency

Who should attend?

Academic and industrial customers interested in using Python 3 to analyze their own NMR data. The news in Acquisition will be of interest to anyone interested in data consistency.

Speakers

Pavel Kessler, Ph.D

Senior Staff Scientist, Bruker MRS Application Development

Pavel Kessler studied solid state physics at Jan Evangelista Purkyne University in Brno, Czechoslovakia.

In 1986, he joined the group of Dr. Vladimir Sklenar at the Institute of Scientific Instrumentation in Brno, where he worked on his dissertation "Strongly Coupled Systems in NMR". Pavel joined Bruker in 1991 and contributed to the development of several software packages, focusing on scientific software such as structure elucidation and simulation.

In his current position, Pavel is the product manager responsible for TopSpin and CMC-se.

Dr. Daniel Mathieu
Application Scientist
Bruker BioSpin

Daniel started studying Chemistry at the Goethe University in Frankfurt in 2001.

In 2007 he got his diploma in Chemistry. He then joined the group of Professor Harald Schwalbe at the University of Frankfurt for his PhD thesis developing NMR methodology for RNA and peptides, which he finished in 2011.

Since 2011 he’s an application scientist at Bruker BioSpin in Germany, focusing on Biomolecular NMR.

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