xsAnnotate-class {CAMERA} | R Documentation |
This class transforms a set of peaks from multiple LC/MS or GC/MS samples into a matrix of preprocessed data. It groups the peaks and does nonlinear retention time correction without internal standards. It fills in missing peak values from raw data. Lastly, it generates extracted ion chromatograms for ions of interest.
Objects can be created with the xsAnnotate
constructor
which gathers peaks from a set NetCDF files. Objects can also be
created by calls of the form new("xsAnnotate", ...)
.
peaks
:pspectra
:isotopes
:derivativeIons
:formula
:sample
:signature(object = "xsAnnotate")
: group the peak data after the FWHM of the retention time
signature(object = "xsAnnotate")
: group the peak data after the Correlation of the EIC
signature(object = "xsAnnotate")
: search for possible isotopes in the spectra
signature(object = "xsAnnotate")
: search for possible adducts in the spectra
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Carsten Kuhl, ckuhl@ipb-halle.de