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posted Mar 05 '10 at 09:14

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

I don't know whether software packages actually handle this, but I'll mention the most evolved ones: nmrView, Cara, CCPN Analysis, smart notebook. One or few of these may work for the purpose. I'm curious to know which one actually does. However, you can still be very productive - possibly more productive than the GUI software user - with plain text peak lists if you master some scripting language. I recommend Python. Also, just for the purpose of extracting splittings I've in the past created **[this sparky plugin][1]** that allows you to select two peaks and determine splitting in hertz. With this method you'll still have to go peak by peak but gives the splitting values directly. [1]: http://nmrwiki.org/wiki/index.php?title=Calculate_splitting_(sparky_script)
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posted Mar 05 '10 at 09:15

Evgeny%20Fadeev's gravatar image

Evgeny Fadeev
5771

I don't know whether software packages actually handle this, but I'll mention the most evolved ones: ones that were built to analyze Bio-NMR data: nmrView, Cara, CCPN Analysis, smart notebook. One or few of these may work for the purpose. I'm curious to know which one actually does.

However, you can still be very productive - possibly more productive than the GUI software user - with plain text peak lists if you master some scripting language. I recommend Python.

Also, just for the purpose of extracting splittings I've in the past created this sparky plugin that allows you to select two peaks and determine splitting in hertz. With this method you'll still have to go peak by peak but gives the splitting values directly.

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