MassChroQ version 2.4.3 “Caïman à lunettes” is available.
Main features :
- Severe bug fix concerning “match between run”
- Better computation performances
- Redesigned code to handle natively timsTOF pro runs, taking into account ion mobility dimension.
- New outputs to get a peak detection quality value (see above)
Peak detection quality is reported for each XIC with these values :
- aa
- best quality : many MS2 fragmentation event, only one peak directly detected
- a
- good quality, single MS2 fragmentation event, one peak detected
- ab
- many MS2 fragmentation event, but more than one peak detected, the greater peak (area) is chosen, it is obviously fragmented... perhaps a hint to check for peak detection parameters
- b
- peak obtained by "match between run" on the mean aligned retention time
- pm
- peak obtained by post matching (retention times are refined using peak detected in aa, a, ab, b categories)
- missed
- no peak detected