Adaptive processing of LC-MS data


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Documentation for package ‘recetox.aplcms’ version 0.10.1

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recetox.aplcms-package Adaptive processing of LC/MS data
adaptive.bin Adaptive binning
adjust.time Adjust retention time across spectra.
combine.seq.3 An internal function.
compute_clusters Compute clusters of mz and rt and assign cluster id to individual features.
find.match Internal function: finding the best match between a set of detected features and a set of known features.
find.tol An internal function that is not supposed to be directly accessed by the user. Find m/z tolerance level.
find.tol.time An internal function that find elution time tolerance level.
find.turn.point Find peaks and valleys of a curve.
hybrid Runs features extraction in hybrid mode.
interpol.area Interpolate missing intensities and calculate the area for a single EIC.
load.lcms Loading LC/MS data.
merge_features_and_known_table A wrapper function to join knowledge from aligned features and known table.
proc.cdf Filter noise and detect peaks from LC/MS data in CDF format
prof.to.features Generate feature table from noise-removed LC/MS profile.
recetox.aplcms Adaptive processing of LC/MS data
recover.weaker Recover weak signals in some profiles that is not identified as a peak, but corresponds to identified peaks in other spectra.
rm.ridge Removing long ridges at the same m/z.
run_filter Continuity index.
semi.sup Semi-supervised feature detection
two.step.hybrid Two step hybrid feature detection.
unsupervised Runs features extraction in unsupervised mode.