Reviewed by Malcolm Beckett, ICI measurement science group, UK
ACD/Labs has an array of spectral processors that can handle data from a variety of techniques, including NMR, MS, IR, Raman, and chromatography. The modular approach means that it can be used in a multidisciplinary fashion or tailored to just one technique. For this review, I will concentrate on ACD/1D NMR Processor.
ACD/1D NMR Processor imports NMR filter identifiers (FIDs) or vendor processed data from various software programs, such as those from Jeol, Bruker, and Varian. This freedom from vendor formats serves as an advantage because it is possible to manage data from several NMR laboratories regardless of spectrometer type.
Once imported, 1D NMR Processor provides context-sensitive menus for manipulating data; FIDs have apodisation, zero filling, and linear prediction tools available, while processed data uses another set of tools.
The user interface is logically set out in order of processing, ideal for the novice, whereas experienced users are free to use the tools in any order.
Automatic or manual control is available for reference, phasing, baseline correction, peak picking and fitting, integration, measuring J-coupling, and reporting using ACD/ChemSketch. Automatic phasing and baseline correction provide consistently good results and are reproducible.
Integration in manual mode permits a high level of control; however, auto integration is particularly powerful when controlled by macros. 1D NMR Processor automatically populates tables, making them readily available for export to Microsoft Excel or other software. Once processed, the NMR data can be saved in a database along with assignments and other parameters.
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