Journal of Biomolecular NMR

, Volume 2, Issue 6, pp 619–629

Processing of multi-dimensional NMR data with the new software PROSA

  • Peter Güntert
  • Volker Dötsch
  • Gerhard Wider
  • Kurt Wüthrich
Article

DOI: 10.1007/BF02192850

Cite this article as:
Güntert, P., Dötsch, V., Wider, G. et al. J Biomol NMR (1992) 2: 619. doi:10.1007/BF02192850

Summary

The new program PROSA is an efficient implementation of the common data-processing steps for multi-dimensional NMR spectra. PROSA performs linear prediction, digital filtering, Fourier transformation, automatic phase correction, and baseline correction. High efficiency is achieved by avoiding disk storage of intermediate data and by the absence of any graphics display, which enables calculation in the batch mode and facilitates porting PROSA on a variety of different computer systems; including supercomputers. Furthermore, all time-consuming routines are completely vectorized. The elimination of a graphics display was made possible by the use of a new, reliable automatic phase-correction routine. CPU times for complete processing of a typical heteronuclear three-dimensional NMR data set of a protein vary between less than 1 min on a NEC SX3 supercomputer and 40 min on a Sun-4 computer system.

Keywords

Data processingFourier transformationLinear predictionPhase correctionBaseline correction

Abbreviations

1D

one-dimensional

2D

two-dimensional

3D

three-dimensional

4D

four-dimensional

NOESY

nuclear Overhauser enhancement spectroscopy

TOCSY

total correlation spectroscopy

TPPI

time-proportional phase incrementation

u-13C

uniformly13C-labeled

Copyright information

© ESCOM Science Publishers B.V. 1992

Authors and Affiliations

  • Peter Güntert
    • 1
  • Volker Dötsch
    • 1
  • Gerhard Wider
    • 1
  • Kurt Wüthrich
    • 1
  1. 1.Eidgenössische Technische Hochschule-HönggerbergInstitut für Molekularbiologie und BiophysikZürichSwitzerland