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These Versions are currently under development at TU Braunschweig. They contain a lot of bugfixes and new features.

Changelog:

  • 2.3.TU-BS-2014-11-05: Improved Peak Detection filter
  • 2.3.TU-BS-2014-10-09: Changed to C++11 and made peak detection multi-threaded for speed-up
  • 2.3.TU-BS-2014-10-02: Allows weighting RI and Spectrum scores.
  • 2.3.TU-BS-2014-09-30: Easier settings for performance, allows to control the number of CPU cores and thus memory consumption for batch tasks (compound detection etc.)
  • 2.3.TU-BS-2014-07-02: Improved automatic detection for memory consumption and performance for large files
  • 2.3.TU-BS-2014-06-18: Additional settings to control memory consumption and performance for large files
  • 2.3.TU-BS-2014-05-30: 64 bit and GCxGC support
    - 64 bit build for Linux which allows using more than 4GB of memory
    - Option to allow detection of the same library compound several times, to be used in GCxGC
    - Much faster reaction when selecting Compounds in the plot
  • 2.2.N-2013-01-15: Better error handling and logging, improved archive export of Batch-Quantification
  • 2.2.N-2013-01-07: Peak Detection:
    - New Option: Target Peak Re-Detection to improve sensitivity and spectrum quality
    - New Option: Filtering for peak sharpness
    Batch-Quantification:
    - Changed internal algorithm for better identification between samples
  • 2.2.N-2012-11-15: Quantification
    - Improved quantification algorithm. Integrals are now more intuitive.
    - Library-Editor is faster
  • 2.2.N-2012-10-17: Maintenance
    - Improved performance when loading library for Identification
    - Fixed memory-leak in library editor
    - Fixed unexpected behaviour when performing batch-identification with the setting "Original Library" for reference
  • 2.2.N-2012-08-08: Major refactoring, removing lots of bugs, crashes and memory leaks, but some advanced features are currently inactive.
    - More consistent data (what you see matches what the program uses for calculations)
    - Removed bugs during compound identification
    - Removed bugs during calculation of spectrum-score
    - Improved parallelization
    - Batch-Results can now be filtered for reproducibility live in the results panel
    - Improved assignement of automatic quantification ions
    - Batch-Result now distinguishes between compound not found in sample (NULL) and compound beeing found, but not having a value for the quantification ion ( 0 )
    - Export of the target-library, that is created during untargeted batch analysis (via "export to archive" in batch result panel)
  • 2.1.N-2012-03-02: Made export of warnings after batch optional
  • 2.1.N-2012-02-29:
    - Fixed a crash during targeted batch analysis
    - Updated Windows-Version to QT 4.8.0
  • 2.1.N-2012-02-16: Fixed a bug in Chromatogram-Alignment during RI-Calibration
file: 
AttachmentSize
MD-Development-Version-Documentation.pdf397.41 KB
MetaboliteDetector-2.3.TU-BS-2014-11-05.64bit-Linux.deb2.53 MB
MetaboliteDetector-2.3.TU-BS-2014-10-09.64bit-Linux.deb2.52 MB
MetaboliteDetector-2.3.TU-BS-2014-10-02.64bit-Linux.deb2.2 MB
MetaboliteDetector-2.3.TU-BS-2014-09-30.64bit-Linux.deb2.2 MB
MD-TU-BS-2014-07-03-src.zip6.37 MB
MetaboliteDetector-2.3.TU-BS-2014-07-02.64bit-Linux.deb1.9 MB
MD-TU-BS-2014-07-02-src.zip6.37 MB
MetaboliteDetector-2.3.TU-BS-2014-06-18.64bit-Linux.deb1.9 MB
MD-TU-BS-2014-06-18-src.zip6.37 MB
MetaboliteDetector-2.3.TU-BS-2014-05-30.64bit-Linux.deb2.36 MB
MetaboliteDetector-2.2.N-2013-01-15-win32.exe6.9 MB
MetaboliteDetector-2.2.N-2013-01-15-Linux.rpm3.49 MB
MetaboliteDetector-2.2.N-2013-01-15-Linux.deb3.51 MB
MetaboliteDetector-2.2.N-2013-01-07-win32.exe6.9 MB
MetaboliteDetector-2.2.N-2013-01-07-Linux.rpm3.49 MB
MetaboliteDetector-2.2.N-2013-01-07-Linux.deb3.51 MB
MetaboliteDetector-2.2.N-2012-11-15-win32.exe6.89 MB
MetaboliteDetector-2.2.N-2012-11-15-Linux.rpm3.47 MB
MetaboliteDetector-2.2.N-2012-11-15-Linux.deb3.49 MB
MetaboliteDetector-2.2.N-2012-11-15_src.zip5.94 MB
MetaboliteDetector-2.2.N-2012-10-17-win32.exe6.88 MB
MetaboliteDetector-2.2.N-2012-10-17-Linux.deb3.48 MB
MetaboliteDetector-2.2.N-2012-10-17-Linux.rpm3.46 MB
MetaboliteDetector-2.2.N-2012-10-17_src.zip5.79 MB
MetaboliteDetector-2.2.N-2012-08-08-win32.exe6.88 MB
MetaboliteDetector-2.2.N-2012-08-08-Linux.deb3.48 MB
MetaboliteDetector-2.2.N-2012-08-08-Linux.rpm3.46 MB
MetaboliteDetector-2.2.N-2012-08-08_src.zip5.76 MB
MetaboliteDetector-2.1.N-2012-03-02-win32.exe7.09 MB
MetaboliteDetector-2.1.N-2011-03-02_src.zip4.79 MB
MetaboliteDetector-2.1.N-2011-02-29_src.zip4.78 MB
MetaboliteDetector-2.1.N-2012-02-29-win32.exe7.09 MB
MetaboliteDetector-2.1.N-2012-02-29-Linux.rpm3.73 MB
MetaboliteDetector-2.1.N-2012-02-29-Linux.deb3.75 MB
MetaboliteDetector-2.1.N-2012-02-16-Linux.rpm3.73 MB
MetaboliteDetector-2.1.N-2011-02-16_src.zip4.7 MB
MetaboliteDetector-2.1.N-2012-02-16-win32.exe6.94 MB
MetaboliteDetector-2.1.N-2012-02-16-Linux.deb3.75 MB
MetaboliteDetector-2-0-7--Nieke-2011-09-29-win32.exe6.71 MB
MetaboliteDetector-2-0-7--Nieke-2011-09-29-source.zip3.49 MB