characterize_xcms_peaklist.RdThis wrapper function for the characterization of all peaks detected by XCMS takes an *XCMSnExp* object and a *cpcProcParam* object as arguments and will run over all peaks detected in all files or the subset defined in the *cpcProcParam* object. Before running this function, XCMS must be used to detect chromatographic peaks in the data. Currently the available algorithm for peak characterization is an adaption of the ApexTrack algorithm implemented in many instrumental software. In short, the algorithm proceeds by first detecting all peak apices present as negative minima craddled by inflection points in the second derivative of the chromatogram. All detected peak apices is then subjected to a baseline expansion algorithm in order to determine the peak boundaries and baseline boundaries.
This function is called by filter_xcms_peaklist but can be called
independently to only characterize the peaks in the XCMSnExp.
characterize_xcms_peaklist(xd, param = cpcProcParam())XCMSnExp object with peak information
cpcProcParam object with process parameters
cpc object