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MZmine Changelog

What's new in MZmine 2.53

Dec 13, 2019
  • Fixed - Missing dependencies for ADAP modules (Tomáš Pluskal)
  • Fixed - Spectral database export module (Tomáš Pluskal)
  • Updated - File open dialogs (Tomáš Pluskal)
  • Updated - New icon for upcoming MZmine 3 (Tomáš Pluskal)

New in MZmine 2.52 (Nov 21, 2019)

  • Added - Manual graphical integration of peaks (Steffen Heuckeroth)
  • Added - Kovats Index extraction tool (Robin Schmid)
  • Added - GC-GNPS export (Robin Schmid)
  • Fixed - Exception in ADAP hierarchical clustering (Robin Schmid)
  • Fixed - jmzTab limit on number of columns (Nils Hoffmann)
  • Fixed - Missing scans from Waters instrument mzML files (Alex Smirnov)
  • Updated - GNPS export module and documentation (Robin Schmid, Louis-Félix Nothias)
  • Updated - Automatic spectra processing in the spectrum visualizer (Steffen Heuckeroth)
  • Updated - Lipid search classes (Ansgar Korf)
  • Updated - Formula information in Van Krevelen plots (Ansgar Korf)
  • Updated - Spectra similarity check in Join Aligner (Ansgar Korf)
  • Updated - Passwords not saved in project files, config file saved to home directory (Markus Fleischauer)

New in MZmine 2.51 (Sep 4, 2019)

  • Fixed - A bug in spectra merging for SIRIUS export (Tomáš Pluskal)
  • Fixed - Added missing libraries for raw file import on Windows (Tomáš Pluskal)
  • Fixed - Added a missing manual.pdf and license to the release (Tomáš Pluskal)
  • Fixed - Made the Linux and macOS startup scripts executable again (Tomáš Pluskal)

New in MZmine 2.50 (Sep 3, 2019)

  • Added - New 3D visualizer based on JavaFX (Akshaj Gupta)
  • Added - New build system using Gradle (Tomáš Pluskal)
  • Added - Minor GUI enhancements for task bar and dock (Tomáš Pluskal)
  • Updated - Help windows (Tomáš Pluskal)
  • Fixed - Isotope pattern preview (Steffen Heuckeroth)

New in MZmine 2.41.2 (Jul 29, 2019)

  • SIRIUS search on Windows (Tomáš Pluskal)

New in MZmine 2.41.1 (Jul 27, 2019)

  • Fixed:
  • Loading & saving of project files (Tomáš Pluskal)

New in MZmine 2.41 (Jul 25, 2019)

  • Added:
  • Color blindness aware color palettes (Robin Schmid)
  • Spectral DB search for single peak list row (Ansgar Korf)
  • Kendrick mass defect filter (Ansgar Korf)
  • Updated:
  • ADAP aligner and wavelet deconvolution (Alex Smirnov, Du lab)
  • Automatic spectra processing in the spectrum visualizer (Steffen Heuckeroth)
  • Van Krevelen diagrams (Ansgar Korf)
  • Fixed:
  • Spectra merging for SIRIUS and GNPS export (Kai Dürkhop)

New in MZmine 2.40.1 (Jun 4, 2019)

  • Fixed:
  • GNPS library submission/creation (Robin Schmid)
  • Compatibility with Java 8 (Tomáš Pluskal)

New in MZmine 2.4.0 (Jun 3, 2019)

  • Support for MoNA, GNPS, NIST spectral database file formats (Robin Schmid)
  • Different spectral similarity algorithms for spectral search (Robin Schmid)
  • Automatic spectra processing in the spectrum visualizer (Steffen Heuckeroth)
  • Mirror plot for spectral database hit visualization (Ansgar Korf, Robin Schmid)
  • Spectral matching in the spectrum visualizer (Ansgar Korf)
  • Local MS2 library search (Ansgar Korf, Robin Schmid)
  • MS2 spectra export to GNPS (Robin Schmid)
  • Changed Student's t-test to ANOVA test (Alex Smirnov, Du lab)
  • Spectra merging for SIRIUS and GNPS export (Kai Dürkhop)
  • New functions in Kendrick Mass plot (Ansgar Korf)

New in MZmine 2.3.9 (Apr 29, 2019)

  • Added - Local MS2 library search (Robin Schmid)
  • Added - MS2 spectra export to GNPS (Robin Schmid)
  • Added - Utility module to associate MS2 spectra with detected features (Robin Schmid)
  • Added - Sparse hierarchical clustering for spectral deconvolution (Alex Smirnov, Du lab)
  • Added - Student's t-test and log fold-change for two groups (Alex Smirnov, Du lab)
  • Updated - Peak list table - opening compound URL (Robin Schmid)
  • Fixed - Neutral loss filter (Steffen Heuckeroth, Robin Schmid)
  • Fixed - Avoid exporting empty scans for SIRIUS (Tomáš Pluskal)

New in MZmine 2.3.8 (Feb 6, 2019)

  • Added - Diagnostic Fragmentation Filter plot (Shawn Hoogstra)
  • Added - Custom database search for spectra (Ansgar Korf)
  • Added - Multiple MS/MS spectra plot (Robin Schmid, Ansgar Korf)
  • Updated - Spectra annotation for online DB and lipid search (Ansgar Korf)
  • Updated - Isotope pattern preview tool (Steffen Heuckeroth)
  • Updated - Spectra selection for SIRIUS export (Robin Schmid)
  • Fixed - Kendrick mass plots and Van Krevelen diagram labels and paint scales (Ansgar Korf)
  • Fixed - MassBank, PubChem, YMDB online DB search (Tomáš Pluskal)

New in MZmine 2.3.7 (Dec 2, 2018)

  • Added a selection of methods for m/z value calculation during chromatogram deconvolution (Robin Schmid)
  • Added direct submission to GNPS (Robin Schmid)
  • Updated formula prediction sorting by mass deviation (Ansgar Korf)
  • Fixed SIRIUS search (Tomáš Pluskal)

New in MZmine 2.3.6 (Nov 17, 2018)

  • Added:
  • Export of multiple mzML files (Robin Schmid)
  • Raw data file merge function (Robin Schmid)
  • Updated:
  • SIRIUS search updated to new version(Tomáš Pluskal)
  • Isotope pattern preview tool (Steffen Heuckeroth)
  • Fixed:
  • A bug in ADAP Chromatogram builder (Alex Smirnov)

New in MZmine 2.3.5 (Oct 27, 2018)

  • ChemSpider search to new Web API (Tomáš Pluskal)
  • Updated - Peak list row filter and duplicate peak filter (Robin Schmid)
  • Fixed - SIRIUS export (Tomáš Pluskal)
  • Fixed - Multithreaded peak finder in batch mode (Robin Schmid)

New in MZmine 2.3.4 (Sep 20, 2018)

  • SIRIUS/CSI-FingerID structure prediction module (Evgeniy Sorokin)
  • Multi-threaded gap filling (Robin Schmid and Mingxun Wang)
  • Isotope pattern preview (Steffen Heuckeroth)
  • M/z histogram (Robin Schmid)
  • Lipid search module (Ansgar Korf)
  • JfreeChart plots (Robin Schmid)

New in MZmine 2.32 (Apr 2, 2018)

  • - New hierarchical clustering aligner (Gauthier Boaglio)
  • Added
  • - Quick search bars to peaklist table (Akshaj Gupta)
  • Updated
  • - Kendrick mass plots (Ansgar Korf)
  • Fixed
  • - MetaCyc search in case no record is found (Tomáš Pluskal)

New in MZmine 2.31 (Feb 12, 2018)

  • Added - Kendrick mass plots (Ansgar Korf)
  • Added - Lots of new features for visualization plots (Robin Schmid)
  • Updated - Replaced PlantCyc search with MetaCyc using REST API (Tomáš Pluskal)
  • Fixed - Fixed access to MassBank Europe (Tomáš Pluskal)

New in MZmine 2.30 (Nov 25, 2017)

  • Added:
  • RCaller as an option for R backend (Gauthier Boaglio)
  • Single feature export from peak list table for SIRIUS (Kai Dürkhop)
  • Updated:
  • Peak list SIRIUS export (Kai Dürkhop)
  • Peak list GNPS export (Pieter Dorrestein lab)
  • Fixed:
  • MS2 similarity search peaklist selection (Tim Fallon)

New in MZmine 2.29 (Sep 22, 2017)

  • Added - A second module for GC-MS spectral deconvolution (Xiuxia Du lab)
  • Added - Added mzML and netcdf raw data export via MSDK (Tomáš Pluskal)
  • Updated - MS2 similarity search (Tim Fallon)
  • Updated - Sirius export (Kai Dürkhop)
  • Updated - GNPS export (Pieter Dorrestein lab)
  • Updated - CSV export with peak identifications (Tomáš Pluskal)
  • Fixed - netCDF import for 32-bit precision files (Tomáš Pluskal)
  • Fixed - Peak area calculation in the chromatogram smoothing module (Tomáš Pluskal)
  • Fixed - Targeted peak detection module in case the input CSV file contains a byte order mark (Tomáš Pluskal)
  • Fixed - HMDB online database search (Tomáš Pluskal)

New in MZmine 2.28 (Jul 22, 2017)

  • Updated: GNPS and Sirius export (Pieter Dorrestein lab)
  • Fixed: R-based modules using latest R release (Gauthier Boaglio)

New in MZmine 2.27 (Jun 24, 2017)

  • Updated:
  • ADAP feature detection module (Xiuxia Du lab)
  • MS/MS scan detection in chromatogram deconvolution (Pieter Dorrestein lab)
  • Fixed:
  • File open dialog filters under JDK 8 (Tomáš Pluskal)
  • Temporary file creating on certain Windows versions (Tomáš Pluskal)
  • Temporary file locking on network filesystems (Tomáš Pluskal)
  • Scatter plot tooltips (Tomáš Pluskal)
  • Memory detection under Linux in different locale settings (Sergio Oller)

New in MZmine 2.26 (May 11, 2017)

  • GNPS and Sirius export options (Pieter Dorrestein lab)
  • Updated - Chemical formular prediction, now much faster thanks to CDK update (Tomáš Pluskal)

New in MZmine 2.25 (May 9, 2017)

  • A new ADAP module for spectral deconvolution of GC/MS data (Xiuxia Du lab)
  • Added - GNPS and Sirius export options (Pieter Dorrestein lab)
  • Updated - Peak list filter module (Pieter Dorrestein lab)
  • Fixed - CSV export in batch mode (Tomáš Pluskal)

New in MZmine 2.24 (May 9, 2017)

  • New ADAP modules for EIC construction and EIC peak picking (Xiuxia Du lab)
  • Fixed - A bug in spectrum visualizer (Tomáš Pluskal)
  • Fixed - PubChem search module (Tomáš Pluskal)

New in MZmine 2.23 (Mar 21, 2017)

  • Released on December 12th, 2016
  • Fixes:
  • A bug in peak list row filter (Tomáš Pluskal)
  • Version number (Tomáš Pluskal)

New in MZmine 2.14.2 (Apr 15, 2015)

  • Fixed a Java3D dependency conflict in the 3D visualizer

New in MZmine 2.14.1 (Apr 15, 2015)

  • Fixed version number that was incorrectly reported as 0.0
  • Minor fixes in the TIC visualizer

New in MZmine 2.14 (Apr 3, 2015)

  • Added option to highlight samples in plots
  • Added noise level cut-off to the targeted peak detection module
  • Added option to remove common prefix in names when importing raw data files
  • Added text search options to the row filter
  • Added a workaround for the problem that manual editing of compound identity was not possible if some of the first 3 columns were hidden
  • Fixed bugs in the targeted peak detection and gap filling module that caused wrong peak duration calculations
  • Fixed error with the batch mode when using the row filter module
  • Fixed error with rounding of m/z ranges for XIC graphs
  • Fixed crash of Waters reader when function contains no scans
  • Fixed so that the selection of data files or peak lists are kept after sorting
  • Updated names of chromatograms to be in accordance with the IUPAC recommendations - TIC, Base peak chromatogram, XIC and XIC (base peak)