Man pages for speaq
Tools for Nuclear Magnetic Resonance (NMR) Spectra Alignment, Peak Based Processing, Quantitative Analysis and Visualizations

AddPlottingStuffAdd plotting variables
BuildFeatureMatrixBuild a Feature matrix from the with speaq 2.0 processed data
BuildRawDataMatrixBuild a raw data matrix (spectra) from spectra of unequal...
BWRBW ratio calculation
createNullSamplingBuilding a null hypothesis data
detectSpecPeaksPeak detection for spectra
dohClusterCluPA function for multiple spectra.
dohClusterCustommedSegmentsUse CluPA for alignment with additional information
doShiftSegment shift
drawBWBW and percentile ratios plot
drawSpecSpectral plot
drawSpecPPMPlot NMR spectra from a spectra data matrix
findRefReference finding
findSegPeakListSelecting the peaks in a segment
findShiftStepFFTFinding the shift-step by using Fast Fourier Transform cross-...
getWaveletPeaksConvert raw NMR spectra to peak data by using wavelets
GetWinedata.subsetGet subset of Winedata for code examples
hClustAlignCluPA function for two spectra.
hclust.groupingGrouping with hierarchical clustering (used in the...
HMDBsearchRSubmit 1H NMR peaks to HMDB for compound search
makeSimulatedDataCreate a simulated NMR spectral data
PeakFillingPeak filling of any missed peaks
PeakGrouperPeak grouping with hierarchical clustering
regroupRRegroup faulty grouped peaks
relevant.features.pidentify features (columns in the datamatrix) which are...
returnLocalMaximaLocal maximum detection
ROIplotPlot NMR spectra, together with raw and grouped peaks
SCANTSCAle, Normalize and Transform a data matrix
WinedataWine dataset
speaq documentation built on Sept. 19, 2017, 5:06 p.m.