ACD/NMR Processor

Scott Van Bramer, Department of Chemistry, Widener University, Chester

ACD/NMR Processor module is a very easy to use full featured NMR data processing program that also works with ChemSketch, ACD/Labs' structure drawing program (free from www.acdlabs.com/download). The structure drawing features of ChemSketch make it easy to show peak assignments, and one version of the program even uses ACD/Labs' shift prediction program to try and assign the peaks for you.

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The NMR data processing program is easy to use and full featured. It supports a wide range of spectrometer data file types. The processing is all very intuitive and easy to use, minutes after installing the program I had a fully processed, integrated, and annotated spectrum printed out. The dialog boxes are all clean and well designed with informative and clearly written help menus. The phasing, peak picking, integration, and spectralreference routines were all easy to use. The printed output is very professional looking and it is easy to copy and paste to other windows applications. I would highly recommend anyone looking for an offline data processing package to take a close look at this program. The ease of use will appeal to novice users and the depth of processing features will satisfy expert users.

The feature that really makes this program stand out is the incorporation of a structure drawing program with the data processing package. After processing the spectrum, you can switch to the drawing package with a click of a button. After drawing the structure in ACD/Labs' easy to use chemsketch program, you click on another button to return to the spectrum with the chemical structure. Then with a couple of mouse clicks, you can assign the atoms of the structure to the spectrum. I was able to do all this within 10 minutes of installing the program and without reading any manuals. An example of the report that this produces is given below. I am looking forward to using these clear and concise reports to teach NMR interpretation and I am also looking forward to students using this program to organize the unknowns in their lab reports. Hopefully, this will help them better organize their interpretation arguments.

Another very nice feature is that ACD/Labs is FREELY distributing a spectral viewer that will read the files produced in ACD/NMR Processor. Although this program does not process data, it can be used to view spectra. The advantage over other spectral viewers is that this allows users access to the spectra and to the associated structure. Holding the mouse over a peak will highlight the associated part of the chemical structure. The FREEWARE version also reads processed spectra in several other formats and then allows users to draw the structure to include with the spectrum. The freeware version does not, however, allow peaks to be associated with the structure.

Overall, this is a very easy to use package that I can readily recommend.