Restricted linear least square treatment processing of heteronuclear spectra of biomolecules using the ANAFOR strategy.
We explore the use of a processing procedure based on restricted least square minimization as a tool for reducing the time versus resolution dilemma often encountered for biomolecular multidimensional spectra. Using a 2D spectrum as a reference, we obtain the necessary input of frequency components and linewidths. Combined even with a limited time evolution in the indirect dimension, the amplitudes of the correlation peaks in all planes of the 3D spectra can be extracted, and can be used to reconstruct the interferograms in the third dimension. Parameters such as number of lines, threshold choice, resolution, lineshape, number of experimental data points and finally signal to noise ratio of the spectrum are examined starting from a triple-resonance HNCA spectrum of ubiquitin.
Lippens
Guy
G
Université de Lille2, CNRS-UMR 8525, Institut Pasteur de Lille, 1 rue du Professeur Calmette BP447, 59021, Lille Cedex, France. guy.lippens@pasteur-lille.fr
Bodart
Philippe R
PR
Taulelle
Françis
F
Amoureux
Jean Paul
JP
D000465:Algorithms; D005583:Fourier Analysis; D016018:Least-Squares Analysis; D009682:Magnetic Resonance Spectroscopy