Package: xpl
XPLXPL is a tool for plotting and analyzing X-ray photoelectron spectroscopy (XPS) data. It can fit peaks using Pseudo Voigt profiles (more models to come) while enabling Area, Position and FWHM restrainment of the individual peaks to physically sensible values (or expressions).New VersionThere will be an implementation of Doniach-Sunjic type peaks as well as the possibility to control the Gauss-to-Lorentz ratio of Voigt/PseudoVoigt peaks in the near future.However, I am also working on a total rewrite which will be in a new repository and a different PyPi package. This will take some time until it is functional, so bear with me.InstallationUbuntuIf you don't already have it installed, install python and pip as well as libffi6 and python-gi through apt. Python version needs to be>=3.5(not tested below) and GTK needs to be version>=3.14.$sudoaptinstallpython3pip3
$sudoaptinstalllibffi6python3-gi
$pip3installxplOn starting, XPL creates a~/.config/xplfolder where configuration files and converted spectrum files will be stored. Tolaunchxpl, just select it from your applications menu. Alternatively, run it as a module:$python3-mxplToupdatexpl, run$pip3install--upgradexplWindowsI have not yet succeeded in building a windows.exestyle app or even an installer. However, you can try to install PyGObject manually and get the xpl package through pip.First, you need Python 3.5 (other 3.x will probably work, not tested) fromhttps://www.python.org/downloads/windows/or Anaconda or whatever. Then, you need PyGObject eiter fromhttps://sourceforge.net/projects/pygobjectwin32/or through MSYS (http://www.msys2.org). I could not get it to work.UsageYou can import spectra by clicking the plus icon in the main toolbar. So far, only exportet.txtfiles from the EIS Omicron software can be parsed.When the "Spectra" tab is selected, you can choose the spectra to view by selecting them, right clicking and clicking "Plot selected spectra". The rightmost icon in the top toolbar lets you select elements whose peak positions should be displayed (see screenshot).In the fitting tab, you can first add one or more regions by clicking "+" next to "Regions", then dragging across the Plot View.When a region is selected, you can add peaks by clicking "+" next to "Peaks" and drawing them by dragging from the peak maximum downwards inside the selected region. After this, you can constrain the peak values in the bottommost three entries: They accept input either like< min > maxwhereminandmaxare minimum and maximum values for the corresponding parameter, or likeexpressionwhich can be a simple arithmetic expression or just a fixed value. A relation to the same parameter of another peak can be expressed by using their label (see screenshot below).Exporting the data or the plot is not yet supported.BuildingPyPIRun this for building the pypi package and uploading it.python3setup.pysdistbdist_wheel
python3-mtwineuploaddist/xpl-VERSION*Note to self: Don't forget to use the correct version name when uploading to pypi.Executable for LinuxJust runpyinstallerxpl_linux.specThis makes an executabledist/xpl/XPL. For now, this still produces a Gtk-Warning about libcanberra when running the app but that can probably safely be ignored.