Bayesian AuTomated Metabolite Analyser for NMR spectra

Documentation for package ‘batman’ version 1.2.1.10

Help Pages

batman-package	Bayesian AuTomated Metabolite Analyser for NMR spectra (BATMAN)
batman	Perform BATMAN and Plot Analysis Result
Batman-Input	BATMAN Input Files are Explained Here
Batman-Output	BATMAN Outputs are Explained Here
batmanrerun	Perform BATMAN with Fixed (Previously Estimated) Multiplet Positions
checkBatmanOptions	Check previouse versions of batmanOptions.txt file and unify the parameter names to the current one.
createChemShiftPerSpec	Creating the file chemShiftPerSpec.csv which contains chemical shift parameters for all multiplets and spectra.
createPureSpectraTemplate	Creating a folder called 'PureSpectraTemplate' in the specified input directory. The folder contains pure metabolite spectrum template in .txt file with metabolite name as the file name.
plotBatmanFit	Plot Batman Metabolite Fit of NMR Spectra (With Down Sampling)
plotBatmanFitHR	Plot BATMAN Metabolite Fit of NMR Spectra in Original Resolution (Without Down Sampling)
plotBatmanFitStack	Stack plot Batman Metabolite Fit of NMR Spectra (With Down Sampling)
plotChemShiftDist	Plot histogram of chemical shifts for the multiplets across a series of spectra.
plotDiagnosticScatter	Diagnostic scatter plot of batman metabolites fit vs NMR spectra bins or minimum wavelet fit.
plotMetaFit	Plot Posterior Means of Metabolites Fit with 95% Credible Interval
plotRelCon	Boxplot or Histogram of Posterior distributions of Relative Concentrations for Listed Metabolites with 95% Credible Interval
plotShift	Boxplot or Histogram of ppm Shift Posterior distributions for Multiplets of Named Metabolite
readBatmanOutput	Reads in BATMAN Output Data Files
readBruker	Read Raw Binary Bruker NMR Spectra
readBrukerZipped	Read Raw Binary Bruker NMR Spectra in Zipped format
saveBruker2Txt	Read Raw Binary Bruker NMR Spectra and save them to ASCII file.