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UniDec Version 4.2.0
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@michaelmarty michaelmarty released this 09 Mar 16:56
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4.2.0
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Version 4.2.0 UniDec.

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. Let me know what other things would be useful to add here.

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.4.2.0

Added Smart Transform. From the beginning, UniDec has asked users to decide how it should perform the nonlinear transform from m/z to mass (Integration or Interpolation). Now, the Smart Transform decides for the user based on the density of the data. Where the data is sparse relative to the mass sampling, it will use interpolation to fill in the gaps. Where data is dense relative to the mass sampling, it will use integration to ensure that all the data in-between is accounted for. Smart Transform is located under the Additional Deconvolution Parameters tab and has now been made the default. In some preliminary testing, the Smart Transform showed more robust peak areas that were less sensitive to the mass sampling. The peak heights may change some, but the peak areas should be a lot more reliable (remember Ctrl+I to integrate). Note: you may not notice much difference, but using the Smart Transform should avoid some glitches that are hard to spot. Let me know how it goes!

Major improvements in 2D plotting speed due to behind-the-scenes changes and optimzation of the plotting code.

Sparse data support. Improvements to the algorithm to support sparse data, including just peak centroids. This fundamentally changes the underlying algorithm in minor ways. You may notice minor differences but likely will not. Let me know if it causes any problems.

Better handling of click and zoom at the edges of the plot. Now, it will default to the edge if you go off the plot.

Added drag and drop for loading the state from a zip file.

Upgraded pymzml version for improved mzML compatibility and made mzML import more error tolerant.

Fixed issue with discrete plot and data that was non-uniformly sampled.

Fix to bug in calculating the error from the weighted standard deviation of charge state masses.

Fixed bug in Load and Save State with non-text files.

Fixed IM-MS plotting bugs.

Note: the the first binary from 200309 has been updated to 200311 to reflect further optimizations in plotting speed. I didn't feel like making a whole new version for a minor change though.

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