Changelog

  1. 2.29

      -  September 21, 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)
  2. 2.28

      -  July 21, 2017
    • Updated  -  GNPS and Sirius export (Pieter Dorrestein lab)
    • Fixed  -  R-based modules using latest R release (Gauthier Boaglio)
  3. 2.27

      -  June 24, 2017
    • Updated  -  ADAP feature detection module (Xiuxia Du lab)
    • Updated  -  MS/MS scan detection in chromatogram deconvolution (Pieter Dorrestein lab)
    • Fixed  -  File open dialog filters under JDK 8 (Tomáš Pluskal)
    • Fixed  -  Temporary file creating on certain Windows versions (Tomáš Pluskal)
    • Fixed  -  Temporary file locking on network filesystems (Tomáš Pluskal)
    • Fixed  -  Scatter plot tooltips (Tomáš Pluskal)
    • Fixed  -  Memory detection under Linux in different locale settings (Sergio Oller)
  4. 2.26

      -  May 10, 2017
    • Updated  -  GNPS and Sirius export options (Pieter Dorrestein lab)
    • Updated  -  Chemical formular prediction, now much faster thanks to CDK update (Tomáš Pluskal)
  5. 2.25

      -  May 6, 2017
    • Added  -  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)
  6. 2.24

      -  April 10, 2017
    • Added  -  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)
  7. 2.23

      -  December 12, 2016
    • Fixed  -  A bug in peak list row filter (Tomáš Pluskal)
    • Fixed  -  Version number (Tomáš Pluskal)
  8. 2.22

      -  December 9, 2016
    • Updated  -  MS2 similarity search (Tim Fallon)
    • Fixed  -  Metaboanalyst export format (Tomáš Pluskal)
    • Fixed  -  CSV export with multiple IDs (Tomáš Pluskal)
  9. 2.21

      -  July 3, 2016
    • Added  -  A simple module for feature comparison by MS2 similarity (Tim Fallon)
    • Updated  -  Minor updates to CSV export (Gauthier Boaglio)
    • Fixed  -  A bug in reading some Waters RAW files (Tomáš Pluskal)
    • Fixed  -  Mac OS X script should work in case there is not JDK installed, only JRE (Tomáš Pluskal)
    • Fixed  -  Occasional exceptions in linear normalizer and scatter plot (Tomáš Pluskal)
  10. 2.20

      -  March 3, 2016
    • Added  -  A "Round resample filter" to the scan by scan filtering methods (Gauthier Boaglio)
    • Added  -  Peak-to-peak comparison filter, e.g. by fold-change (Tim Fallon)
    • Updated  -  Spectrum export dialog remembers last open directory (Tomáš Pluskal)
    • Updated  -  Chemical formula prediction shows ppm errors (Tim Fallon)
    • Updated  -  More options in peak list row filter (Tim Fallon)
    • Updated  -  CSV export to handle multiple peaklists (Gauthier Boaglio)
    • Fixed  -  Polarity and precursor recognition for Thermo RAW files (Tomáš Pluskal)
    • Fixed  -  Peak shape component shows MS2 traces properly (Tomáš Pluskal)
    • Fixed  -  Saving of RT start and ends into project files (Tomáš Pluskal)
  11. 2.19

      -  February 1, 2016
    • Added  -  MassBank.eu search (Tobias Schulze)
    • Added  -  Close all windows menu item (Tomáš Pluskal)
    • Added  -  Import of zipped and gzipped raw data files (Tomáš Pluskal)
    • Updated  -  Import of multiple mzTab files (Tomáš Pluskal)
    • Updated  -  Minor improvements in parameter setting components (Tomáš Pluskal)
    • Updated  -  Chemical formula input more robust to whitespace (Tim Fallon)
    • Updated  -  Chromatogram deconvolution can handle polarity switching data (Tomáš Pluskal)
    • Fixed  -  Speed issues when importing mzML files from network shares (Tomáš Pluskal)
    • Fixed  -  startMZmine.bat failure when executed from a different folder (Gauthier Boaglio)
  12. 2.18.3

      -  January 15, 2016
    • Fixed  -  A bug in mzML export (Tomáš Pluskal)
    • Fixed  -  A bug in m/z range parameter component (Tomáš Pluskal)
    • Updated  -  Numerical parameter components ignore whitespace (Tim Fallon)

    2.18.2

      -  December 18, 2015
    • Added  -  Option to export spectra to mzML from the spectra visualizer (Tim Fallon)
    • Fixed  -  Loading of mzML files that contain UV data (Tomáš Pluskal)
    • Fixed  -  Chromatogram builder on polarity-switching datasets (Tomáš Pluskal)
    • Fixed  -  Minor bugs in scatter plot, intensity plot, and PubChem search (Tomáš Pluskal)

    2.18.1

      -  December 14, 2015
    • Fixed  -  A bug in executing R-based modules, e.g. XCMS and CAMERA (Tomáš Pluskal)

    2.18

      -  December 12, 2015
    • Added  -  Peak selector component for parameter setup dialogs (Tomáš Pluskal)
    • Fixed  -  Batch mode processing of tasks that do not produce any new data (Tomáš Pluskal)
  13. 2.17

      -  September 24, 2015
    • Fixed  -  Bug in heat map plot (Tomáš Pluskal)
    • Fixed  -  Bugs Thermo and Waters raw data import (Tomáš Pluskal)
  14. 2.16

      -  September 3, 2015
    • Added  -  Option to export spectra to text formats (MGF, MSP & TXT) (Thomas F. Dyrlund)
    • Added  -  FWHM, Tailing factor and Asymmetry factor to peak lists and exports (Thomas F. Dyrlund)
    • Added  -  Peak filter module for filtering individual peaks in peak lists (Thomas F. Dyrlund)
    • Updated  -  Progress tracking for project loading and saving (Tomáš Pluskal)
    • Updated  -  Chromatogram builder parameters to include scan selection option (Tomáš Pluskal)
    • Updated  -  Scan selector component to include scan definition option (Tomáš Pluskal)
    • Updated  -  More options in Crop filter (Tomáš Pluskal)
    • Fixed  -  Issue with mzTab import and export (Thomas F. Dyrlund)
    • Fixed  -  Error in chromatogram builder in case scans are not sorted by RT (Tomáš Pluskal)
    • Fixed  -  Bugs in heat map plot (Tomáš Pluskal)
    • Fixed  -  Bugs in PCA plot (Tomáš Pluskal)
    • Fixed  -  Bugs in logratio plot (Thomas F. Dyrlund)
  15. 2.15

      -  August 4, 2015
    • Added  -  RT start, RT end and # data points to the CSV and SQL exports (Thomas F. Dyrlund)
    • Added  -  EMF and EPS vector image save options to plots (Thomas F. Dyrlund)
    • Added  -  Tracking of MZmine module usage in Google Analytics (Thomas F. Dyrlund)
    • Added  -  Scan selector component, so methods can be applied to selected types of scans (e.g. only positive polarity) (Tomáš Pluskal)
    • Added  -  IDA visualizer module (Thomas F. Dyrlund)
    • Updated  -  Rserve is now used for integration with R - this should fix many of the R issues and speed up analysis (Gauthier Boaglio)
    • Updated  -  General clean-up of start-up scripts (Thomas F. Dyrlund)
    • Updated  -  The CSV export can now export all identification results for a peak (Thomas F. Dyrlund)
    • Fixed  -  Issue with newly opened peak list tables being hidden behind main window (Tomáš Pluskal)
    • Fixed  -  Bugs in the heat map module (Tomáš Pluskal)
    • Fixed  -  Bug in standard compound normalizer (Thomas F. Dyrlund)
  16. 2.14.2

      -  April 14, 2015
    • Fixed  -  Java3D dependency conflict in the 3D visualizer (Tomáš Pluskal)

    2.14.1

      -  April 9, 2015
    • Fixed  -  Version number was incorrectly reported as 0.0 (Tomáš Pluskal)
    • Fixed  -  Minor fixes in the TIC visualizer (Tomáš Pluskal)

    2.14

      -  April 3, 2015
    • Added  -  Option to highlight samples in plots (Thomas F. Dyrlund)
    • Added  -  Noise level cut-off to the targeted peak detection module (Thomas F. Dyrlund)
    • Added  -  Option to remove common prefix in names when importing raw data files (Thomas F. Dyrlund)
    • Added  -  Text search options to the row filter (Tomáš Pluskal)
    • Added  -  Workaround for the issue that editing of compound identity was not possible if some of the first 3 columns were hidden (Tomáš Pluskal)
    • Updated  -  Chromatogram renamed to TIC, Base peak chromatogram, XIC and XIC (base peak) (Thomas F. Dyrlund)
    • Fixed  -  Bugs in peak duration calculations in the targeted peak detection and gap filling modules (Thomas F. Dyrlund)
    • Fixed  -  Error with the batch mode when using the row filter module (Thomas F. Dyrlund)
    • Fixed  -  Error with rounding of m/z ranges for XIC graphs (Thomas F. Dyrlund)
    • Fixed  -  Crash of Waters reader when function contains no scans (Tomáš Pluskal)
    • Fixed  -  Selection of data files or peak lists are kept after sorting (Tomáš Pluskal)
  17. 2.13.1

      -  February 9, 2015
    • Added  -  Two new modules for sorting files and peak lists alphabetically (Tomáš Pluskal)
    • Added  -  Tool to strip extensions from raw data file names (Thomas F. Dyrlund)
    • Updated  -  2D rendering of molecules was improved in database search (Tomáš Pluskal)
    • Fixed  -  Severe bug in project loading (precursor m/z values were lost) (Tomáš Pluskal)

    2.13

      -  February 3, 2015
    • Added  -  Ability to read Waters RAW folders on Windows (Tomáš Pluskal)
    • Added  -  Scan polarity is now recognized and indicated in the GUI (Tomáš Pluskal)
    • Added  -  Import and export from/to mzTab files (Thomas F. Dyrlund)
    • Updated  -  Thermo RAW file import does not require installation of MSFileReader anymore (Tomáš Pluskal)
    • Updated  -  Java3D installation is not required anymore (Tomáš Pluskal)
    • Updated  -  Better recognition of centroided/profile spectra (Tomáš Pluskal)
    • Updated  -  Improved SQL database export (Thomas F. Dyrlund)
  18. 2.12

      -  December 2, 2014
    • Added  -  Option to sort raw data files or peak lists alphabetically (Tomáš Pluskal)
    • Added  -  New algorithms in the Baseline correction module (Gauthier Boaglio)
    • Added  -  MZmine now automatically checks for newer versions (Thomas F. Dyrlund)
    • Updated  -  Improved reporting in the startMZmine script (Tomáš Pluskal)
    • Updated  -  Improved reporting of errors in case of problems with connection to R (Thomas F. Dyrlund)
    • Updated  -  Improved zooming options in TIC visualizer (Thomas F. Dyrlund)
    • Fixed  -  Windows now remember their sizes and positions (Tomáš Pluskal)
    • Fixed  -  Bug that caused freezing when reading certain types of mzML files (Tomáš Pluskal)
    • Fixed  -  Bug in Targeted peak detection module that caused peak areas to be negative (Tomáš Pluskal)
    • Fixed  -  Bugs in Manual peak picker (Thomas F. Dyrlund)
  19. 2.11

      -  August 15, 2014
    • Added  -  New 2D peak detection module called GridMass (Victor Trevino)
    • Added  -  Option to export charges to the CSV export module (Tomáš Pluskal)
    • Updated  -  GUI changed from MDI style to multi-window style, to support operation on multiple screens (Tomáš Pluskal)
    • Updated  -  The online search modules to reflect the current database websites (Tomáš Pluskal)
    • Fixed  -  Bug in Join Aligner where the m/z weight variable was ignored (Tomáš Pluskal)
    • Fixed  -  Operation of Targeted peak detection in batch mode (Tomáš Pluskal)
    • Fixed  -  Export of peak duration in the CSV export module (Tomáš Pluskal)
    • Fixed  -  Reading precursor charge from newer versions of Thermo RAW files (Tomáš Pluskal)
    • Fixed  -  Operation of Dataset filtering module in batch mode (Gauthier Boaglio)
    • Fixed  -  Steps reordering in the batch setup (Gauthier Boaglio)
    • Fixed  -  Peak area calculation in the Peak extender module (Gauthier Boaglio)