|Title||»||SSL format changes for Feature Detection|
|Assigned To||»||Brian Pratt|
|Notify||»||Brendan MacLean (test)|
from Brendan's email 3/8/2022:
"On a thread with Mike, Dani, and Josh Eckels we are discussing Dani's use of Hardklor for unknown feature detection in MS1 scans and subsequent chromatogram extraction with Skyline.
It is seeming like having a (small molecule) .blib file with integration information in it is likely to be useful, and allowing that to be built from SSL also helpful.
The key missing things from SSL right now:
start and end integration times
the ability to have an entry without an associated spectrum
Regeneron has expressed interest in being able to see 'associated spectra' with found features. That is if in DDA a MS/MS was sampled from a feature, but not identified as a known peptide or compound, they would like to see Skyline associate that spectrum with the found feature. So, these SSL files may still contain spectrum associations, but that will also need to be optional, because there will be features with no MS/MS spectra sampled."