deconvParams: deconvParams

In INRA/Rnmr1D: Perform the Complete Processing of a Set of Proton Nuclear Magnetic Resonance Spectra

deconvParams

Description

Initialize the deconvolution parameter list

Usage

deconvParams

Format

An object of class list of length 45.

Value

• flist : Filter type list : 'smooth1', 'smooth2' and'smooth3' for Savitzky-Golay filter, 'daub8' and 'symlet8' for filter based on wavelet

• criterion : Criterion type for the optimizations : 0 => R2, 1 => 1/Std(residues) - default value = 0

• reltol : Criterion tolerance for the optimization - default value = 0.0001

• facN : Noise factor applied while the peak finding step - default value = NULL

• ratioPN : Peak/Noise Ratio applied while the peak selection step - default value = 1

• obl : Optimization of a baseline (BL) for each massif. 0 means no BL, an integer greater than 0 indicates the polynomial order of the BL default value = 0

• distPeaks : PeakFinder : min distance between 2 peaks (as multiple of sigma_min which is typically equal to 0.0005 ppm) - default value = 2

• optim : Indicates if optimisation is applied - default value = 1

• oppm : Indicates if ppm optimisation is applied - default value = 1

• osigma : Indicates if sigma optimisation is applied - default value = 1

• d2meth : PeakFinder : Indicates if minima method to the second derivation is applied

• spcv : PeakFinder : Maximal CV on Spectrum - default value = 0.005

• d2cv : PeakFinder : Maximum CV on the derived spectrum - default value = 0.05

• d1filt : Apply Filter (1) on the 1st derivate or not (0) - default value = 0

• d2filt : Apply Filter (1) on the 2nd derivate or not (0) - default value = 0

• sigma_min : Optimization of Sigmas : Fixe the minimum limit of sigmas - default value = 0.0005

• sigma_max : Optimization of Sigmas : Fixe the maximum limit of sigmas - default value = 0.005

• verbose : Indicates if we want information messages - default value = 1

• exclude_zones : Exclude ppm zones for the criterion evaluation - default value = NULL

INRA/Rnmr1D documentation built on April 13, 2025, 10:54 p.m.