Either way, this entry is about NMRNotebook, which ultimately derives from another gratis program called Gifa which I experimented with in the early 00s. Apparently after Gifa v4 (article), NMRTec developed Gifa v5. After that there seems to have been a split in efforts (not a fork) where NMRTec developed NMRNotebook, and other people involved in Gifa developed NPK. NMRNotebook appears to use NPK as the underlying engine, but provides a nice GUI which is written in tk/tcl, java and python.
Note that Gifa 4 and Gifa 5 are still available for download, but require license files to run. I don't know if it's still possible to get licenses for Gifa. Based on my memory of running Gifa (4?) the interface was quite slick, and it had a terminal at the bottom, similar to xwinnmr.
License
Either way, NMRNotebook can be downloaded for free from NMRTec for academic users. You will need to register and then get a license, which can be had by following the instructions on their website and sending off an email with your details.
So I did that.
NOTE that the 1D line fitter is not included in the free version -- it's priced at 1,000 Euro, which sounds a bit insane to me, in particular if you compare with the price of the software (Euro 100 for a student license, 750 for an industry one). Either way, you can write your own fitter in octave in fifteen minutes..
Installation
There are two files to download: NMRnotebook.sh and NNBMACROS.zip
Run NMRnotebook.sh
sh NMRnotebook.shRun nmrnotebook as indicated:NMRnotebook installer - starting installation... please wait NMRnotebook will be installed in your home directory. Unpacking ... Running post-install script ... done !! To run NMRnotebook, type '~/NMRnotebook/NMRnotebook' to create a shortcut named nnb in your home directory, type 'ln -s ~/NMRnotebook/NMRnotebook ~/nnb' To uninstall simply erase the directory ~/NMRnotebook and ~/.nmrnotebook Some examples can be found in the '~/NMRnotebook/examples' directory Thank you for using NMRnotebook. NMRtec software team
~/NMRnotebook/NMRnotebook
Import the license by going to File/Open and select the nnb file you got via email.
Close the program and start it again.
Unzip the macros by
mkdir ~/work/nnbmacros -p cp ~/Downloads/NNBMACROS.zip ~/work/nnbmacros cd ~/work/nnbmacros unzip NNBMACROS.zip
To run a macro, select it and run it:
To be able to launch nmrnotebook from GNOME create ~/.local/share/applications/nmrnotebook.desktop
[Desktop Entry] Name=NMRnotebook GenericName=nmrnotebook Comment=Software for processing of NMR data Exec=/home/me/NMRnotebook/NMRnotebook Terminal=false Type=Application Categories=Science Version=0.27
Overview
NMRNotebook can open varian, bruker etc. files. Bruker shown here |
Window functions, showing EM and interative LB |
Several different types of fourier transforms are available |
My first spectrum |
Zoom works similar to mestrec |
Right-clicking brings up a menu that allows you to integrate, label, draw boxes, lines etc. |
Normalised integral |
NMRnotebook can accept SR values for calibration |
Spectrum overview |
NMRnotebook only has a few features available, but is sufficient for basic NMR processing. Line-fitting is the most serious omission. |
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