I am trying to understand how component shape quality is calculated or derived in MassHunter. What is it based on? Qualifier or Quantifier ion?
Are you asking about the "Min Shape Quality" in the Advanced setting?
Yes. This is similar to what you get after deconvolution.
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Is it based on total ions or specific ions making up the components
It reflects how well the ion peak shapes fit each other within a component. The score will decline the more variance is seen between the ion peaks shapes. The algorithm evaluates ions peaks that are either intense (strong signal) or sharp (least likely to be the product of overlapping compounds).
Thank you. In the case where I want to check how well the peaks are separated in relation to symmetry (Tailing and fronting), which output can I use within the MassHunter. I tried component symmetry and sharpness but they all tend to give similar output as the shape quality.
Karimi Solomon Division of Mechatronics, Biostatistics, and Sensors (MeBioS)Willem de Croylaan 42 bus 24283001 Leuven (Heverlee)Tel+32 (0) 465540828
Unlike AMDIS MassHunter deconvolution does not evaluate ion peak symmetry when grouping ions into compounds so there is nothing in the method to adjust.
As tom_barrett states, AMDIS has a peak shape parameter. We have successfully used this AMDIS feature in our lab to deconvolute peaks with very close retention times, 0.0001 min difference. The shape parameter also aids in portioning out quantitation areas of closely eluting peaks with the same target ion for more accurate quantitation.
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