Tag: NMR spectra

BATMAN 1.2.1.11 – Bayesian AuTomated Metabolite Analyser for NMR spectra

BATMAN 1.2.1.11

:: DESCRIPTION

BATMAN (Bayesian Analysis of Metabolic NMR spectra) is an R package for deconvolving resonance peaks from NMR spectra and obtaining concentration estimates for the corresponding metabolites automatically. Parallel processing is available if processing several spectra.

::DEVELOPER

BATMAN team

:: SCREENSHOTS

N/A

:: REQUIREMENTS

:: DOWNLOAD

 BATMAN

:: MORE INFORMATION

Citation

Hao J et al. (2012)
BATMAN-an R package for the automated quantification of metabolites from NMR spectra using a Bayesian Model.
Bioinformatics (2012) 28(15): 2088-2090.

WaVPeak – Determining the location of Peaks in NMR spectra

WaVPeak

:: DESCRIPTION

WaVPeak is a wavelet smoothing and volume filtering-based method for automatic peak picking in NMR spectra. The program below has three options for the denoising step: 1) wavelet denoising; 2) median-modifie-Wiener-filter (MMWF)-based denoising; and 3) MMWF*-based denoising, where MMWF* is a novel variation of MMWF.

::DEVELOPER

Structural and Functional Bioinformatics Group, King Abdullah University of Science and Technology

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / Windows
  • Matlab

:: DOWNLOAD

WaVPeak

:: MORE INFORMATION

Citation

WaVPeak: picking NMR peaks through wavelet-based smoothing and volume-based filtering.
Liu Z, Abbas A, Jing BY, Gao X.
Bioinformatics. 2012 Apr 1;28(7):914-20. doi: 10.1093/bioinformatics/bts078