Does anyone have a program to analyse NMR spectra?
I need to analysis NMR data anyone has a program ?
thanks
Try ACD/Labs NMR processor software:
http://www.acdlabs.com/resources/freeware/nmr_proc/index.php
There are a lot of commercial programms available on the market, as well, but I suppose you do not plan to invest a lot of money...
I found NMRPipe (http://spin.niddk.nih.gov/NMRPipe) and Sparky from U Wisconsin (http://www.nmrfam.wisc.edu/nmrfam-sparky-distribution.htm) or Sparky from UCSF (https://www.cgl.ucsf.edu/home/sparky/) very useful and friendly for the analysis. You can also try CCPN (http://www.ccpn.ac.uk/downloads) for your analysis. All these programs are freely distributed and have very active discussion forums.
I would like to highly self-recommend NMRFAM distributed SPARKY.
Here are video tutorials: https://www.youtube.com/watch?v=CZWMSpS9oyc&list=PLmYqoarOFAZ-aInZ5uM2pV63e7yMSHSuZ
You can download from this web page: http://pine.nmrfam.wisc.edu/download_packages.html
You have also JMRUI software which you can download in : http://www.mrui.uab.es/mrui/. It was been distributed in more than 1200 groups or hospitals worldwide. the licence is free but you must to ask a log to download it.
ACDLabs is one of the best and it has a free, academic version.
An alternative might be the SpinWorks, which is free and many times it gives better results than the others. Although, it is not very user friendly, but if you have not used other sw before, there might me no problems.
But, in any cases, read the manual of the programs. They can provide you extra information.
Mestre Nova! Easy, intuitive and very beautiful!
http://mestrelab.com/
Personally, I prefer jMRUI, as previously suggested by Laurent.
Best wishes,
Adriana.
Here are several links that you might want to look up:
rNMR Open Source Software for NMR Data Analysis, rnmr.nmrfam.wisc.edu
mestrelab.com/software/mnova/nmr/
www.acdlabs.com/products/adh/nmr/
Bruker's TopSpin software package, www.bruker.com/products/mr/nmr/nmr-software/software/topspin/overview.html
www.spincore.com/nmrinfo/software_s.shtm
Good luck in your research!
You need to have the NMR machine to analyze your samples. The machine has the software for this purpose.
Sparky for 2-3D experiments
MestreNova for 1D
Cara for 2-3 good for protein assignment
There are several free versions of this type of software. I recommend especially Python based ones.
Hi all,
I used to make assignments on my 2D HMQC data by Sparky. However, recently I cannot export or save my data as pdf. How do you export your data after you make all the labelling?
Thanks
Look in the manual
https://www.cgl.ucsf.edu/home/sparky/manual/views.html
under Printing.
Prepare your final view in Sparky, then type "pt". Postscript file (*.ps) will be saved in sparky directory.
This ps file you can easily convert to pdf by Adobe (photoshop, acrobat).
Hi Alexey,
Thanks for your quick response. I have done what you have suggested already but I could not open .ps saved file directory by adobe reader.
Kemal, in my case by double clicking on *,ps file Acrobat Distiller opens, and converts file to pdf.
May be you reinstalled Abobe or updated. Try to open/convert .ps file on another PC, just to find out where problem is.
InkScape is another great software that supports postscript. And it is free.
spinwork is free and user friendly, there are many other free and equally good one. Mesronova and ACD are the best but mestronova is expensive and ACD free version has been withdrawn.
Reference to: https://depts.washington.edu/chem/facilserv/nmr/dataprocessing.html
FREEWARE Here are a few freeware NMR processing software that are popular. At least one of them is hosted here for download:
- SpinWorks This is a software developed by Kirk Marat from University of Manitoba. SpinWorks is freely available for download and works on Wndows based computers. The author comments that some people have successfully tried it with Wine to run on Linux platforms and with SoftWindows on Mac as well. The NMR Facility could successfully run SpinWorks from Windows hosted by a Linux machine via VMWare. You can download the Zip archive of SpinWorks from the link above.
- NMRPipe This is a nice software that is an outgrowth of dedicated effort by Frank Delaglio of NIH (part of his graduate work) and what more it is free ! Nevertheless, this runs only on a Unix or Unix-like operating system (including Linux) and probably more suited to do 2D and 3D NMR data than a routine 1D spectrum processing. It requires working knowledge with UNIX.
- matNMR 3 This software was developed by Jacco van Beek, and published in J. Magn. Res. It is a toolbox for processing 1D and 2D NMR spectra under MATLAB, and is free. It has been tested under Solaris and MS Windows 95. Additionally, it works on MacOS 7.5 and 8.0), and on Windows NT.
- iNMR is a software available on Mac or Windows you can download in demo mode for use of select features with no expiration. You can upgrade to a commercial product from Mestrlab for full use, and all future versions.
Banchhanidhi Prusti Hi, I'm recently trying to use Mnova but it does read my raw fid data, I have license and signature. Do you have some recommendations how to fix it or what is the problem?
You can use Chemdraw to predict proton and C-13 NMR. Please watch the following video:
https://www.youtube.com/watch?v=vaZGTcpIKzc
The following website give correct prediction of proton and carbon NMR
https://www.nmrdb.org/new_predictor/index.shtml?v=v2.138.0
for 2,3D spectra I suggest Sparky :
https://www.cgl.ucsf.edu/home/sparky/
Sparky is a graphical NMR assignment and integration program for proteins, nucleic acids, and other polymers
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