Description Usage Arguments Value
This function is a kind of a bug fix for mzML (generated from ThermoRAW by msConvert) data acquired on LTQ-Orbitrap XL, with monoisotopic selection OFF under DDA settings. The setting results in the precursor mz entry in the mzML to be "monoisotopic mass" (even though "monoisotopic selection" is disabled). Therefore real precursor mz values are not read from the mzML file into xcmsRaw object. As the real precursor m/z values are still present in the mzML file (though only to 2 decimals), this function extract the real precursor m/z and pick peak near the m/z value.
1 | correctPrecursorMz(xraw, path, mzabs = 0.05)
|
xraw |
An |
path |
A path to the original mzML file. |
mzabs |
Window size to search real precursor m/z value (default 0.05). |
xcmsRaw
object with corrected precursor m/z values
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