Option to switch on/off the baseline subtraction and/or deconvolution by PCA of SWATH spectra


Currently, the user has no control if deconvolution of SWATH spectra is done or not. It is possible to set the qualitative rule for the library score to 99.9, but even then the spectra are not ALWAYS deconvoluted and sometimes the displayed spectra is non-deconvoluted, although the score is <99.9. E.g. for audits, it must be 100% clear why the software used deconvolution or not. Best solution would be the option for the user to force deconvolution. On the other hand, co-eluting isomers with very similar MS/MS spectra may lead to false negatives: the baseline subtraction step will subtract the fragments from the isomers spectrum (which are also present in the target analyte's spectrum) and the resulting spectrum will show reduced or no intensity for the fragments, yielding false negative results.


0 Comments Apr 05, 2019 31 Views Product: SCIEX OS Software