Skip to content

Releases: mzmine/mzmine

Latest Development Build

19 Dec 15:29
1b187d1

Choose a tag to compare

Pre-release

Commits

  • 1014e96: create classes for tof mass detectort (Steffen Heuckeroth) #3062
  • add edge detection #3062 (SteffenHeu)
  • add to MassDetectors #3062 (SteffenHeu)
  • d9da7ac: Merge branch 'master' into tofmassdetector (Steffen Heuckeroth) #3062
  • vibe code #3062 (Steffen Heuckeroth)
  • vibe code cleanup #3062 (SteffenHeu)
  • out of bounds #3062 (Steffen Heuckeroth)
  • 1d05e86: add import param factory methods, update MZmineTestUtil (Steffen Heuckeroth) #3062
  • 388d8d1: add import param factory methods, update MZmineTestUtil (Steffen Heuckeroth) #3062
  • fix advanced import #3062 (Steffen Heuckeroth)
  • 431fa16: MZmineProjectImpl#getDataFileByName use extact name first (Steffen Heuckeroth) #3062
  • 096106c: tofmassdetector-vibe: add tof to FilesToImport (Steffen Heuckeroth) #3062
  • 8e57580: tofmassdetector-vibe: add factory methods (Steffen Heuckeroth) #3062
  • 5bbb81e: update libs (Steffen Heuckeroth) #3062
  • 6148b07: fix copy of ScanSelectionParameter (Steffen Heuckeroth) #3062
  • 0f7d225: use correct method to set scan filter in AdvancedSpectraImportParameters (Steffen Heuckeroth) #3062
  • 5cc3875: tofmassdetector-vibe: adapt algorithm (Steffen Heuckeroth) #3062
  • e43145a: tofmassdetector-vibe: add more testing (Steffen Heuckeroth) #3062
  • use correct frame id, correctly represent empty scans #3062 (Steffen Heuckeroth)
  • f251d46: tofmassdetector-vibe: add IsotopeError and weighting (Steffen Heuckeroth) #3062
  • 441b629: tofmassdetector-vibe: cleanup (Steffen Heuckeroth) #3062
  • 7109847: Merge branch 'master' into tofmassdetector-vibe (Steffen Heuckeroth) #3062
  • 00cbd60: tofmassdetector-vibe: noise level as-is (Steffen Heuckeroth) #3062
  • 7963e08: Increment patch version (SteffenHeu)
  • 320fd1c: tofmassdetector-vibe: update waters import (Steffen Heuckeroth) #3062
  • 616dce7: tofmassdetector-vibe: add additional test (Steffen Heuckeroth) #3062
  • 312ee13: tofmassdetector-vibe: rebrand as local max mass detector (Steffen Heuckeroth) #3062
  • 6adc413: tofmassdetector-vibe: update name to local maximum (Steffen Heuckeroth) #3062
  • 8060030: tofmassdetector-vibe: disable mass detector tests for online testing (Steffen Heuckeroth) #3062
  • 3a4a4f5: tofmassdetector-vibe: rename centroiding option (Steffen Heuckeroth) #3062
  • 549ca95: tofmassdetector-vibe: review (Steffen Heuckeroth) #3062
  • 83e6944: Merge branch 'master' into tofmassdetector-vibe (Steffen Heuckeroth) #3062
  • 9f76ef7: tofmassdetector-vibe: review (Steffen Heuckeroth) #3062

mzmine 4.8.30

05 Dec 13:11

Choose a tag to compare

Highlights

  • Formula prediction is faster and was added to the mzwizard
  • RI delta shown for spectral library matches

Beta features

  • Default presets for modules
  • Reporting: Create features report pdf and html

Updates

Full Changelog: v4.8.0...v4.8.30

mzmine 4.8.5

10 Nov 14:35

Choose a tag to compare

Highlights

  • Bundled Thermo raw data support on macOS
  • Faster formula prediction for feature lists (parallelized)
  • Improve user login and webservices: Improved proxy configuration auto detection
  • JDK25
  • Improved logging of spectral library import results

Minor fixes

  • Fix rerunning batch with Thermo raw files now detects the files were already imported. Previously in 4.8.0 an info dialog would pop up.

Updates

Full Changelog: v4.8.0...v4.8.5

mzmine 4.8.0

20 Oct 13:38

Choose a tag to compare

Highlights

  • Split feature list by metadata
  • Native Thermo raw data support
  • SIRIUS compound DB annotations
  • Scan based RT correction
  • Presets for all modules
  • Merging of spectral libraries
  • Spectral library parsing improved for various formats to cover more metadata and alternative formattings
  • Flexible feature list row filters for comments, tags, substructures, lipids, formulas, and more (in the feature table and feature list rows filter module).
  • Added new metadata-based filters to rows filter and wizard

Updates

Read more

mzmine 4.7.29

18 Aug 13:28

Choose a tag to compare

High level changelog:

Highlights

  • Feature table row filters to search for substructures, lipids, formulas, etc in any annotation.
  • (BETA FEATURE) Added presets system to all modules (save, load, and apply presets)
  • (BETA FEATURE) Added presets for row filters (substructure search, formula ranges, lipid search etc.

Updates

Full Changelog: v4.7.27...v4.7.28

mzmine 4.7.28

18 Aug 08:39

Choose a tag to compare

High level changelog:

Highlights

  • Feature table row filters to search for substructures, lipids, formulas, etc in any annotation.
  • (BETA FEATURE) Added presets system to all modules (save, load, and apply presets)
  • (BETA FEATURE) Added presets for row filters (substructure search, formula ranges, lipid search etc.

Updates

Full Changelog: v4.7.27...v4.7.28

mzmine 4.7.27

31 Jul 15:35

Choose a tag to compare

High level changelog:

Additions:

  • Added new metadata based filters to rows filter
  • Added new metadata based filters to wizard
  • Added Scan-based retention time correction (beta)

Updates:

  • Updated layout of Feature list rows filter
  • Local compound database search rework, allows import of additional columns as JSON
  • Spectral library generation improvements
    • Acquisition method, internal ID, CAS
    • Merging & export of spectral libraries in mzmine
  • fixed import of UNIFI generated mzml files
  • notarization of MacOS build

What's Changed

Full Changelog: v4.7.8...v4.7.27

mzmine 4.7.8

13 Jun 13:34

Choose a tag to compare

High-level changelog

  • Important bug fixes: Feature list selection parameter failed sometimes, BAF import of centroid data, ... [see below]
  • Faster pseudo spectrum visualizer for GC-MS and DIA - interactive with table. Select row or feature and it will update the visualizer (it helps to open in new window).

What's Changed

Full Changelog: v4.7.3...v4.7.8

patternsearch development build

04 Jun 14:40

Choose a tag to compare

Pre-release

Commits

  • 056ce59: start pattern search module (SteffenHeu)
  • 9c68853: fix dia ms2 if there is no isolation window at all (e.g. if ms1 scans are used) (SteffenHeu)
  • 84bd6b2: add ParameterSet#getMessage (SteffenHeu)
  • 4b3a13a: update pattern search to use "Ms2" spectrum (SteffenHeu)
  • 7fa7549: Merge remote-tracking branch 'mzmine/master' into patternsearch (SteffenHeu)
  • e638ddd: disable ce discrimination for ms1 dia correlation (SteffenHeu)

mzmine 4.7.3

02 Jun 14:58

Choose a tag to compare

High level changelog

  • Drastic memory improvemets
    • 45 LC-IMS-MS files:
      • mzmine 3.9 -> 13.73 GB
      • mzmine 4.7 -> 1.26 GB (9%)
    • 500 DOM LC-MS files:
      • mzmine 3.9 -> 42.04 GB
      • mzmine 4.7 -> 3.86 GB (9%)
  • added support for Retention Index extraction (@wchu207)
  • added support for DIA methods with multiple collision energies (no manual interaction required)
  • fix library generation for GC-EI-MS
  • added support for MOBILion via MSConvert
  • Height/Area box plots in feature table (>1 sample in a feature list)
  • Added PubChem search (via Feature table, right click)
  • Drag & Drop load of mzbatch files
  • Added feature list export to xml
  • fix PCA after normalisation
  • Added metadata-based RSD/CV filter (via Feature list rows filter)
  • Added Feature shape filter (via Feature filter) (enable via "Filter" tab in the wizard)
  • Visualize external HTML in feature overview (e.g. microbeMASST searches)

What's Changed

Full Changelog: v4.6.1...v4.7.3