Automated peak detection in 1D-4D, including options for identifying peaks due to random noise and truncation artifacts. Multi-window spectral graphics, with complete support of the usual Tk graphics canvas facilities. Scripts provide fully customizable PostScript output, including 1D and 2D extracts and projections, overlays, images, and strip plots. A simple, general purpose database engine, capable of manipulating peak tables, assignments, and PDB format molecular coordinates. General facilities for reading, writing, and manipulating binary data, including type conversion, general purpose vector processing, and access to NMRPipe processing functions.
All data is converted to a common format with a uniform organization of real and imaginary points.
The conversion commands can read or write data from a command pipeline rather than a file, allowing such capabilities as conversion of compressed data, conversion of input data dispersed over more than one file, and processing schemes which go directly from spectrometer format to processed result. Dedicated interactive Varian conversion interface reads the procpar file and automatically extracts many acquisition parameters. Dedicated interactive Bruker conversion interface reads and interprets pulseprogram and acq files to deduce many acquisition parameters. Full compensation for Bruker digital filter format is performed during conversion. Generation of peak evolutions from volume summation or Fourier-interpolated intensity.