Wednesday, September 28, 2022

Version 3.1 of QSoas is out

The new version of QSoas has just been released ! It brings in a host of new features, as the releases before, but maybe the most important change is the following...

Binary images now freely available !

Starting from now, all the binary images for the new versions of QSoas will freely available from the download page. You can download the precompiled versions of QSoas for MacOS or windows. So now, you have no reason anymore not to try !
My aim with making the binaries freely available is also to simplify the release process for me and therefore increase the rate at which new versions are released.

Improvements to the fit interface

Some work went into improving the fit interface, in particular for the handling of fit trajectories when doing parameter space exploration, for difficult fits with many parameters and many local minima. The fit window now features real menus, along with tab a way to display the terminal (see the menus and the tabs selection on the image).
Individual fits have also been improved, with, among others, the possibility to easily simulate voltammograms with the kinetic-system fits, and the handling of Marcus-Hush-Chidsey (or Marcus "distribution of states") kinetics for electron transfers.

Column and row names

This release greatly improves the handling of column and row names, including commands to easily modify them, the possibility to use Ruby formulas to change them, and a much better way read and write them to data files. Mastering the use of column names (and to a lesser extent, row names) can greatly simplify data handling, especially when dealing with files with a large number of columns.

Complex numbers

Version 3.1 brings in support for formulas handling complex numbers. Although it is not possible to store complex numbers directly into datasets, it is easy to separate them in real and imaginary parts to your liking.

Scripting improvement

Two important improvements for scripting are included in version 3.1. The first is the possibility to define virtual files inside a script file, which makes it easy to define subfunctions to run using commands like run-for-each. The second is the possibility to define variables to be reused later (like the script arguments) using the new command let.

There are a lot of other new features, improvements and so on, look for the full list there.

About QSoas

QSoas is a powerful open source data analysis program that focuses on flexibility and powerful fitting capacities. It is released under the GNU General Public License. It is described in Fourmond, Anal. Chem., 2016, 88 (10), pp 5050–5052. Current version is 3.1. You can download its source code or precompiled versions for MacOS and Windows there. Alternatively, you can clone from the GitHub repository.

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