PR-CALC: a program for the reconstruction of NMR spectra from projections.
Journal Article (Journal Article)
Projection-reconstruction NMR (PR-NMR) has attracted growing attention as a method for collecting multidimensional NMR data rapidly. The PR-NMR procedure involves measuring lower-dimensional projections of a higher-dimensional spectrum, which are then used for the mathematical reconstruction of the full spectrum. We describe here the program PR-CALC, for the reconstruction of NMR spectra from projection data. This program implements a number of reconstruction algorithms, highly optimized to achieve maximal performance, and manages the reconstruction process automatically, producing either full spectra or subsets, such as regions or slices, as requested. The ability to obtain subsets allows large spectra to be analyzed by reconstructing and examining only those subsets containing peaks, offering considerable savings in processing time and storage space. PR-CALC is straightforward to use, and integrates directly into the conventional pipeline for data processing and analysis. It was written in standard C+ + and should run on any platform. The organization is flexible, and permits easy extension of capabilities, as well as reuse in new software. PR-CALC should facilitate the widespread utilization of PR-NMR in biomedical research.
Full Text
Duke Authors
Cited Authors
- Coggins, BE; Zhou, P
Published Date
- March 2006
Published In
Volume / Issue
- 34 / 3
Start / End Page
- 179 - 195
PubMed ID
- 16604426
Pubmed Central ID
- 16604426
International Standard Serial Number (ISSN)
- 0925-2738
Digital Object Identifier (DOI)
- 10.1007/s10858-006-0020-z
Language
- eng
Conference Location
- Netherlands