Reviewed by Andrew Soper, Rhodes University, South Africa
I am very impressed with the developments included in the forthcoming release of the NMR processing and analysis software MestReC.
First, the program is multi-platform, running under Windows, Mac OS X and Linux, allowing standardisation for many research departments which use more than one operating system.
More importantly, the graphical interface simplifies learning for new users, provided they have used programs such as Microsoft PowerPoint. The new release implements a multi-page system with a miniature page browser. This allows the user, for example, to manage, within a single document, all the experiments (1H, 13C, COSY, HMQC, etc) associated with a given sample, and supports future extension to other analytical techniques. The program also affords a powerful annotation system, which not only allows the insertion of text and graphics (including chemical structures), but also either their total or feature-wise association with spectral signals. With the integration of Modgraph?s NMRPredict, the user also enjoys the capability to predict 1H and 13C spectra from tentative structures and compare such predictions with experimental spectra.
The new MestReC also provides access to a very powerful processing and analysis engine, with a wealth of basic (time domain windowing, zero filling, FT, phase and baseline correction, etc) and advanced features (including Forward and Backward Linear Prediction, solvent suppression, covariance NMR, GEN2D NMR, spectral binning, etc). Once again with the expert user in mind, the program incorporates a powerful scripting system that allows the user to add customised processing functions and to create macros to automate the batch processing of large numbers of spectra.
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