Introduction


The Rowland NMR Toolkit (RNMRTK) is a software package for processing multidimensional NMR data and a platform for the facile implementation of novel NMR data processing methods. In addition to efficient and robust algorithms for traditional signal processing methods such as linear prediction extrapolation and discrete Fourier transformation, RNMRTK implements a very powerful and general algorithm for computing maximum entropy (MaxEnt) reconstruction, which is especially useful for processing non-uniformly sampled NMR data. RNMRTK provides rudimentary tools for analyzing and displaying spectra, but is best used in conjunction with more powerful and general-purpose analysis software. RNMRTK interoperates with nmrPipe, nmrDraw, XEASY, Sparky, NMRview, and other NMR software packages.


History


The predecessor to RNMRTK was VNMR, a program for off-line processing and graphical display of one-dimensional NMR data developed by Jeff Hoch at Harvard in the late 1970’s. Jeff began development of RNMRTK upon moving to the Rowland Institute for Science in 1981. RNMRTK V.1 was released in 1985 (Rowland Institute for Science Technical Memorandum #RIS-11t). V.2 was developed by Jeff Hoch and Alan Stern in the early 1990’s, in conjunction with writing the book “NMR Data Processing” (Wiley, 1996). RNMRTK was used to produce all the figures in the book. V.3 was a major overhaul of the architecture and code, mainly involving generalization of data structures to support up to 4-dimensional data.
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