UniDec 4.0.0 Beta 1

Version 4.0.0 Beta 1 of UniDec. Includes MetaUniDec and other tools.

Please cite Marty et al. Anal. Chem. 2015. DOI: 10.1021/acs.analchem.5b00140 if you use UniDec in publications.

Check out a video tutorial: https://www.youtube.com/watch?v=e33JxgY6CJY

Note: We rely on help from the community to find issues and suggest improvements. If you encounter a bug, first try downloading the latest version if available. If that doesn't fix it, please send an email to [email protected]. Thanks for your continued help.

Note: I have switched to the Waters MassLynxSDK version 4.5 from our custom converters. You may need to download new MassLynxRaw.dll files from Waters. I am working with Waters to get approval to distribute the DLL files bundled with UniDec, but it isn't final yet. Because I used the Waters API, I am not releasing the source code for the Waters Importer until I have that agreement in place. I will do this as soon as I can. In the mean time, Waters import features will work on the compiled binary version but not from the Python source code. You can keep using v.3.2 in the Master Branch in the mean time. Stay tuned...

Change Log:

v.4.0.0 Beta 1

Added Quick Controls to the main panel. This should allow you to turn on and off features quickly without those pesky numbers. The advanced controls are still available as before.

A new experimental feature has been added based to use a SoftMax function (controlled by the parameter beta) to suppress deconvolution artifacts. The higher beta is, the more the algorithm with seek a single charge state assignment for each data point. Setting beta to zero will turn this off. This seems to work best when combined with other assumptions, such as peak width, point smoothing, and charge and mass smoothing. It also seems to work best when combined with background subtraction. Play around with it and let me know what you think. A minus flag applies the SoftMax to the entire data set rather than just a single column of the m/z vs charge matrix at once.

Changed the Waters MS import from rawreader.exe to the MassLynxSDK 4.5. Waters DLLs will soon be included. Stay tuned...

Added Ctrl+C to copy out images from plots. You should be able to paste these into other applications.

Added Example Data, which can be quickly loaded from the File menu. You can also add data to this by dropping your own files in the Example Data folder. It works in the same was as the custom presets.

Added Data Reduction data processing feature in UniDec for removing noise from large data sets. Basically, you set a percentage of the data you want to remove. UniDec then finds what intensity threshold is required to remove that much and takes out all data below that threshold.

Added UniChrom for quick viewing of chromatogram TICs. You can open mzML or Thermo .Raw files directly. Waters .Raw files can be opened by dragging and dropping it in the main window.

Added more functionality for UltraMeta.

Added drag and drop for _conf.dat files to UniDec to more easily import settings.

Adjustments to the algorithm to improve speed and reliability. Switched build to Visual Studio 2019 and Intel Parallel Studio 19.

Changes to the Gaussian blur functions for charge and mass, which are activated by negative flags for mass and charge smooth width.

Removed cross validation feature because I'm pretty sure no one was using it.

Version 3.2.0

Version 3.2.0 of UniDec. Includes MetaUniDec and other tools.

Please cite Marty et al. Anal. Chem. 2015. DOI: 10.1021/acs.analchem.5b00140 if you use UniDec in publications.

Note: With V.3.1.0, several background changes to the algorithm (MS-only) have allowed the use of more general settings, such as a peak width of 0 (v.2.7.3) and a point smooth width of 1, which adds an additional smooth of +/- 1 data point. We hope that these defaults and changes to the layout will allow new users to more easily access the software. Users will still have access to these parameters in the advanced settings windows.

More info on installation can be found here: https://github.com/michaelmarty/UniDec

If you would like to receive updates when new versions are released, please email [email protected] to get added to the mailing list.

Note: We rely on help from the community to find issues and suggest improvements. If you encounter a bug, first try downloading the latest version if available. If that doesn't fix it, please send an email to [email protected]. Thanks for your continued help.

Note: some Waters users are having problems with the data converter. Waters has changed their DLL files so that they are no longer compatible with our converter. Please see: https://github.com/michaelmarty/UniDec for more info on the specific DLL files that are required or contact me to get the appropriate DLLs.

UniDec Version 3.1.0

Version 3.1.0 of UniDec. Includes MetaUniDec and other tools.

Please cite Marty et al. Anal. Chem. 2015. DOI: 10.1021/acs.analchem.5b00140 if you use UniDec in publications.

This version adds a new parameter for Point Width Smooth. It also changes the right control panels to streamline the key parameters and updates the default parameters to make them more universal.

Note: Several background changes to the algorithm (MS-only) have allowed the use of more general settings, such as a peak width of 0 (v.2.7.3) and a point smooth width of 1, which adds an additional smooth of +/- 1 data point. We hope that these defaults and changes to the layout will allow new users to more easily access the software. Users will still have access to these parameters in the advanced settings windows.

More info on installation can be found here: https://github.com/michaelmarty/UniDec

If you would like to receive updates when new versions are released, please email [email protected] to get added to the mailing list.

Note: We rely on help from the community to find issues and suggest improvements. If you encounter a bug, first try downloading the latest version if available. If that doesn't fix it, please send an email to [email protected]. Thanks for your continued help.

Note: some Waters users are having problems with the data converter. Waters has changed their DLL files so that they are no longer compatible with our converter. Please see: https://github.com/michaelmarty/UniDec for more info on the specific DLL files that are required or contact me to get the appropriate DLLs.

UniDec Version 3.0.0

Version 3.0.0 of UniDec. Includes MetaUniDec and other tools. Version 3 is largely the same feature set as version 2.7.3, but it has been ported to Python 3.6. The largest noticeable change will be significantly improved speed for plotting. There were a number of changes behind the scenes, so please report any bugs that you encounter.

More info on installation can be found here: https://github.com/michaelmarty/UniDec

If you would like to receive updates when new versions are released, please email [email protected] to get added to the mailing list.

Note: We rely on help from the community to find issues and suggest improvements. If you encounter a bug, first try downloading the latest version if available. If that doesn't fix it, please send an email to [email protected]. Thanks for your continued help.

Note: some Waters users are having problems with the data converter. Waters has changed their DLL files so that they are no longer compatible with our converter. Please see: https://github.com/michaelmarty/UniDec for more info on the specific DLL files that are required or contact me to get the appropriate DLLs.

UniDec Version 2.7.3

Version 2.7.3 of UniDec. Includes MetaUniDec and a variety of other enhancements.

More info on installation can be found here: https://github.com/michaelmarty/UniDec

If you would like to receive updates when new versions are released, please email [email protected] to get added to the mailing list.

Note: We rely on help from the community to find issues and suggest improvements. If you encounter a bug, first try downloading the latest version if available. If that doesn't fix it, please send an email to [email protected]. Thanks for your continued help.

Note: some Waters users are having problems with the data converter. Waters has changed their DLL files so that they are no longer compatible with our converter. Please contact me to get the appropriate DLLs.

UniDec Version 2.7.1

Version 2.7.1 of UniDec. Includes MetaUniDec and a variety of other enhancements.

More info on installation can be found here: https://github.com/michaelmarty/UniDec

If you would like to receive updates when new versions are released, please email [email protected] to get added to the mailing list.

Note: We rely on help from the community to find issues and suggest improvements. If you encounter a bug, first try downloading the latest version if available. If that doesn't fix it, please send an email to [email protected]. If possible, please include a screenshot of the error printout from the log. An example file is also hugely helpful. Thanks for your continued help.

Version 2.6

Version 2.6.7 of UniDec. Includes MetaUniDec and a variety of other enhancements.

If you would like to receive updates when new versions are released, please email [email protected] to get added to the mailing list.

Note: We rely on help from the community to find issues and suggest improvements. If you encounter a bug, please send an email to [email protected]. If possible, please include a screenshot of the error printout from the log. An example file is also hugely helpful. Thanks for your continued help.

Version 1

Final release of Version 1