Releases: PNNL-m-q/mza
Releases · PNNL-m-q/mza
MZA v1.25.02.19
Fixed bugs for conversion of Agilent .d QTOF files (non IM).
MZA v1.24.11.16
- Refactored mzML conversion to track and assign new Scan number if repeated (to address issues seen with mzML converted from Waters and Sciex).
- Added collision energies for Agilent IMS.
- Added precursor information for MS2 and CCScalTIMS for Bruker timsTOF.
- Refactored to use parallel for Bruker timsTOF.
- Updated examples Python and R scripts to better show usage of metadata table to read a spectrum using the metadata info.
MZA v1 improved
- Agilent .d QTOF (i.e. non-ion mobility data) format supported.
- CCS calibration coefficients included as HDF5 dataset if detected in Agilent '.d': CCScalDT = [Tfix, Beta] for DT, and CCScalSLIM = [C0, C1, C2, C3] for SLIM.
- Collision energy added.
- Fixed bug in intensity threshold for mzML and Thermo .raw.
- Bruker .d ion mobility timsTOF supported (improvements in progress, very slow currently).