Correct Overloaded Peaks from GC-APCI-MS Data
base64decode.
Correct Overloaded Peaks from GC-MS data.
Extrapolate a flat top peak using a Gauss approach.
Extrapolate a flat top peak using isotopic ratios.
Create and modify parameters of an artificial chromatographic peak.
Read and write standard mzXML files.
read.mzData.
Analyzes and modifies metabolomics raw data (generated using Gas Chromatography-Atmospheric Pressure Chemical Ionization-Mass Spectrometry) to correct overloaded signals, i.e. ion intensities exceeding detector saturation leading to a cut-off peak. Data in 'xcmsRaw' format are accepted as input and 'mzXML' files can be processed alternatively. Overloaded signals are detected automatically and modified using an Gaussian or an Isotopic-Ratio approach. Quality control plots are generated and corrected data are stored within the original 'xcmsRaw' or 'mzXML' respectively to allow further processing.
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