Automated peak picking in NMR spectroscopy
AUTOPSY is a program for automated peak picking of multidimensional protein NMR spectra. The main elements of this program are a novel function for local noise level calculation, the use of symmetry considerations, and the use of line shapes extracted from well separated peaks for resolving groups of strongly overlapping peaks. The algorithm generates peak lists with chemical shift values and integrals, and a reliability measure for the recognition of each peak.
- AUTOPSY is available free-of-charge from the group of Prof. K. Wüthrich at ETH Zürich.
- Koradi, R., Billeter, M., Engeli, M., Güntert, P. & Wüthrich, K. Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY. J. Magn. Reson.135, 288-297 (1998)