Zerter is a scientific software dedicated to the processing of (bio)chemical experiments by NMR. In J-RES spectra, zerter zeroes the trapezia left and right of a particular signal along a 45° diagonal.
It is one of the routine tools that we use at the MetaSys team and MetaToul platform for quantitative analysis of 31P phosphometabolites.
The code is open-source, and available under a GPLv3 license.
Zerter requires TopSpin 4.0 or higher (tested on 4.0.7) and run on all plate-forms.
To install Zerter:
Unpack the content of Zerter.zip somewhere on your disk, and copy the file 'zerter.py' in the python program folder of your TopSpin user directory (by default: /exp/stan/nmr/py/usr)
To use Zerter:
Zerter requires as input a 2D J-res spectra which must be Fourier-transformed.
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Open the pseudo 2D spectra to process.
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Run the command 'zerter' in TopSpin. To process all annotated signals, use the argumenta '-a' (command: 'zerter -a').
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If processing is not based on annotation, enter the chemical shift(s) (at J=0 Hz) of signal(s) to process (in ppm, separated by a semi colon ';').
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Enter the width of the window to extract.
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Processing results will be saved as new procnos, please refers to the spectra titles for the corresponding processing information.
If you have an idea on how we could improve Zerter please submit a new issue to our GitHub issue tracker.
Contributions are very welcome! ❤️
Please work on your own fork.
Cox, N., et al. Improved NMR detection of phospho-metabolites in a complex mixture (submitted)
Pierre Millard, Neil Cox, Guy Lippens
📧 Pierre Millard, [email protected]