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UniDec Version 4.3.0 Beta 1
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@michaelmarty michaelmarty released this 02 Oct 16:53
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Version 4.3.0 UniDec.

Special Note: this version includes a lot of behind the scenes changes to accommodate the new UniChrom tool for deconvolution of LC/MS data and other time resolved experiments. There may be bugs, so please test out this beta version and let me know if you have any issues. Also, let me know if you have any suggestions for features to add to UniChrom!

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

For more user help and additional video tutorials, see the Wiki page: https://github.com/michaelmarty/UniDec/wiki.

Installation Instructions: Download the zip file and extract it to a convenient location. Click on "GUI_UniDec.exe". The software should then run with no additional installation. It is a self-contained package. Note, this compiled version will only run on Windows.

It is possible to build and run UniDec on Linux and Mac, but you will need to compile the binary from the C code and run the GUI with Python.

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.

Change Log:

v.4.3.0

Added UniChrom2: UniDec for LC/MS data. UniChrom is built on top of the MetaUniDec engine and uses HDF5 files and many of the same core tools. The primary additions are the ability to parse chromatography data into HDF5, visualize and interact with LC/MS data, and manually select and quickly deconvolve parts of the chromatogram.

Added Data Reduction in MetaUniDec and UniChrom. This now mirrors the behavior of UniDec for processing data to remove a fixed percentage of the lowest intensity data.

Added Native Combining of Waters Data, which should dramatically speed up averaging Waters chromatograms by using the native MassLynx libraries.

Added Thermo RawFileReader libraries to avoid having to install MSFileReader and to make opening native Thermo data faster and more robust.

The mass defect windows can now make horizontal lines from input mass values, not just input mass defect value. It will automatically calculate the mass defect from the input mass.

Major refactoring of the code to support UniChrom. For example, switched from local to absolute paths for most files in the engine.

Added Estimated Area extraction to DataCollector and MetaUniDec. Here, it uses the peak height and FWHM to estimate the area based on the peak shape.

Added experimental DoubleDec (Double Deconvolution) feature to the main UniDec window.

Fixed bug with spaces in oligomer names when importing ofiles.

Switched default native charge range to +/- 1000 from +/- 100 to work better with denatured data.

Other bug fixes and minor changes.

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