Tools for Nuclear Magnetic Resonance Spectrum Alignment and Quantitative Analysis


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Documentation for package ‘speaq’ version 1.2.1

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speaq-package Tools for Nuclear Magnetic Resonance Spectrum Alignment and Quantitative Analysis
BWR BW ratio calculation
createNullSampling Building a null hypothesis data
detectSpecPeaks Peak detection for spectra
dohCluster CluPA function for multiple spectra.
dohClusterCustommedSegments Use CluPA for alignment with additional information
doShift Segment shift
drawBW BW and percentile ratios plot
drawSpec Spectral plot
findRef Reference finding
findSegPeakList Selecting the peaks in a segment
findShiftStepFFT Finding the shift-step by using Fast Fourier Transform cross-correlation
hClustAlign CluPA function for two spectra.
makeSimulatedData Create a simulated NMR spectral data
returnLocalMaxima Local maximum detection
speaq Tools for Nuclear Magnetic Resonance Spectrum Alignment and Quantitative Analysis