02 February 2014

547. NMR on Debian Jessie: gSim

Note: the gsim deb needs glibc 2.14, while wheezy has version 2.13. See here for how to deal with glibc > 2.14 on wheezy: http://verahill.blogspot.com.au/2014/03/562-pulling-in-glibc-214-from-testing.html

gSim is a free program (doesn't appear to be open source -- I can't find the source anyway) for processing 1D and 2D nmr spectra. I don't have much to say about it other than that it seems to provide all the things I require of an NMR processing program, including line fitting (deconvolution).

One neat extra is that gsim has a terminal-like window at the bottom similar to xwinnmr/topspin so that you can control the processing completely via the keyboard. 

gSim can be downloaded from http://sourceforge.net/projects/gsim/

installation via gdebi

splash screen

can read bruker files


overview of processing options. I had to select bruker to correct the fid before doing ft

zooming is a bit awkward, but can be done using the mouse

I had some issue with deconvolution

awkwardly it uses ppm for the width too if the x axis is in ppm

you can always switch to hz though
gsim also reads the acqu/s files

It can output the spectrum to eps in case you're too lazy to work in gnuplot

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