xpl 0.8

XPS spectrum analysis

XPL

XPL 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).

Installation

Ubuntu

Install libffi and python-gi through apt (also, if you should not already have it, install python and git). After that, install the python module requirements.

$ sudo apt install python3 pip3 git
$ sudo apt install libffi6 python3-gi
$ pip3 install numpy matplotlib cairocffi lmfit

Clone the github repo and make main.py executable.

$ git clone https://github.com/schachmett/xpl
$ cd xpl
$ sudo chmod +x main.py

Starting

Just run main.py. On starting, XPL creates a ~/.xpl folder where configuration files and converted spectrum files will be stored.

./main.py

Usage

You can import spectra by clicking the plus icon in the main toolbar. So far, only exportet .txt files 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 > max where min and max are minimum and maximum values for the corresponding parameter, or like = expression where expression can be a simple arithmetic expression. 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.