Some changes since the last announced version 0.4.50 :

• Software renamed from X!TandemPipeline to i2MassChroQ
• New user documentation HTML or PDF
• Statistic module integration MCQR
• i2MassChroQ contains mzxmlconverter
• i2MassChroQ contains tandemwrapper

mzxmlconverter : Bruker’s TimsTOF pro MS2 spectrum conversion to mzXML

This command line tool process raw MS2 TimsTOF data to produce high quality MS2 spectrum in the standard mzXML format (useable with any other tool). Available documentation

Some changes since the last announced version 0.4.42 :

• New user manual
• Better annotated spectrum window
• MCQR integration : basic XIC analyses and computation of protein quantities
• Enhancements on the TimsTOF pro TDF parser
• New background noise removal specific to TimsTOF signal (better quantifications with MassChroQ)
• tandemwrapper.exe is included in the archive (utility to process X!Tandem identifications directly on Bruker’s directories .d)
• Bunch of GUI bug fix (thanks to Kevin ROGER kevin.roger@inserm.fr)
• Chemical formula added of peptides added to ODS output

Development headquarter : ForgeMIA gitlab

Some changes since the last announced version 0.4.27 :

• Better timsTOF pro data management : performance enhancements, user interface and data exports (1/K0 mobility windows, collision energy)
• MassChroQ 2.4.3 integration, direct peptides quantification on timsTOF raw data.
• Direct peptide/protein identification of timsTOF runs with X!Tandem.

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

PAPPSO has participated to the Fourth Metaproteomics Symposium in Luxembourg (September 27-29, 2021) and has presented results on inflammatory bowel disease (IBD) potential biomarkers.