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 :

best quality : many MS2 fragmentation event, only one peak directly detected
good quality, single MS2 fragmentation event, one peak detected
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
peak obtained by "match between run" on the mean aligned retention time
peak obtained by post matching (retention times are refined using peak detected in aa, a, ab, b categories)
no peak detected

MassChroQ homepage