In this first chunk of code, we are simply retrieving the values for the parameter TD from the OPEN dataset. You’ll notice the “Warn on Execute” button there…I’d disable it when troubleshooting, since it sends a pop-up your way every time you test the code out. This is useful for testing whether a command works or not, so I constantly click that execute button. This opens up a built in notepad that we can code in and execute the script from directly. Once there, select new and give your new masterpiece a title. Some basic steps still apply, we are going to create a new python script for this, but in order to do so, you must switch the python module directory to the' “…./py/user” directory in the edpy menu. For this demonstration, we are going to use linear prediction in both dimensions, although this is usually not done since we can normally acquire enough points in F2 to not need it. Bruker’s team has done a lot of work for you already!Īs is the case with the last lesson, we are going to design a python script to automate something we already do – in this case we’ll be performing some linear prediction and zero filling, reprocessing the data, and peak picking. In this script, we can see that we define some dialog boxes – but importantly, these dialog boxes are defined using topspin specific commands that do not exist in standard python and there are many other commands that are hard coded into topspin python. Perhaps one of the best scripts to get you started would be the ‘py-test-suite’ script. For now, lets pull one up and take a look at how we may be able to use this. This brings up a menu allowing you to see some sample python scripts that Bruker has included. We can do this by simply typing ‘ edpy’ into the command line.
Luckily, topspin installs a native python so that you can begin working with it without having to pull yourself into ‘which python’ territory.įirst, we need to open the python module in Topspin. In the interests of time, I won’t be going into python, there have been countless tutorials on that posted to youtube, and I simply can’t compete or offer insight into anything better than they can.Īssuming you’ve used Python, you’re in great shape to begin processing your data through topspin. By ‘plain english’ I mean that it is very simple to get started compared to other coding languages.
If you aren’t familiar with python, what you should know is that it is extremely easy to pick up, it generalizes very well, and is coding is done ‘in plain english’. Topspin contains a very powerful tool for automation – Python.
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