|Peak quality score for small molecules||bwidner||2020-03-17|
Hello Skyline Team!
I am working with small molecule data, and I would like to put a number on chromatographic quality for each peak. I would like this score to only be for MS1 peaks (or MS2, if I decide that's what I want to look at) and to include things like peak shape (i.e. gaussian), signal to noise, agreement with predicted retention time, etc. I have not so far found this in Skyline.
I looked over the Advanced Peak Picking Models tutorial since it includes scoring, but I do not think this is exactly what I am looking for. It seems more complicated than what I need; perhaps I am overlooking something?
I am new to MS and get a little lost in the terminology, especially when it is peptide terminology, as I have never worked on peptides. My apologies if I am overlooking something obvious, and thanks for your assistance!