Preprocess H-NMR FIDs

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Documentation for package ‘SOAP’ version 0.1.0

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SOAP-package Metabolomic data pre-treatment strategy for 1H-NMR spectroscopic data
Apodization Apodization of the FID
BaselineCorrection Set the baseline to a uniform zero signal.
Bucketing Spectral data reduction
Data_HS_sp FIDs or raw spectra from the Human Serum database.
Data_HU_sp FIDs or raw spectra from the Human Urine database.
Draw Draw a Signal or its PCA
DrawPCA Draw the PCA of the signals
DrawSignal Draw Signals
FidData_HS Raw FIDs for the Human Serum database.
FidData_HU Raw FIDs for the Human Urine database.
FidInfo_HS Information about the FIDs.
FidInfo_HS_sp Information about the Human Serum FIDs.
FidInfo_HU Information about the FIDs.
FidInfo_HU_sp Information about the Human Urine FIDs.
FinalSpectra_HS Spectra for the Human Serum database after Scaling.
FinalSpectra_HU Spectra for the Human Urine database after Scaling.
FirstOrderPhaseCorrection Perform a First Order Phase Correction.
FourierTransform Provides the Fourier transform of the FID.
Group_HS Class of Human Serum spectra.
Group_HU Class of Human Urine spectra.
InternalReferencing Chemical shift referencing.
NegativeValuesZeroing Zeroing of negative values.
Normalization Normalizes the spectrum
ReadFids Read FIDs in Bruker format from a directory
RegionRemoval Removal of non-informative regions
SOAP Metabolomic data pre-treatment strategy for 1H-NMR spectroscopic data
SolventSuppression Suppress the Solvent signal present in each FID.
Warping Warping of the spectra
WindowSelection Spectral window selection
ZeroOrderPhaseCorrection Zero Order Phase Correction
ZoneAggregation Aggregates the values in a given ppm interval.