Quantification of maximum-entropy spectrum reconstructions.
Maximum-entropy spectrum reconstruction derives much of its power from its nonlinearity. This nonlinearity causes difficulties in several contexts, however, including computation of multidimensional spectra and quantification of reconstructed spectra. We describe two methods for avoiding these difficulties: a "Constant-lambda" algorithm for performing row-wise reconstructions, which uses a fixed weighting of the entropy and the experimental constraint in the objective function, and in situ error analysis, for calibrating the nonlinearity. These methods are applied to data from quantitative J-correlation and relaxation experiments.
Schmieder
P
P
Forschungsinstitute für molekulare Pharmakologie, Berlin, Germany.
Stern
A S
AS
Wagner
G
G
Hoch
J C
JC
D000465:Algorithms; D002138:Calibration; D019277:Entropy; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*