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XPS spectrum analysis

Project description

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

If you don't already have it installed, install python and pip as well as libffi6 and pythongi through apt.

$ sudo apt install python3 pip3
$ sudo apt install libffi6 python3-gi
$ pip3 install xpl

On starting, XPL creates a ~/.config/xpl folder where configuration files and converted spectrum files will be stored. To start xpl, run it as a module:

$ python3 -m xpl

To update xpl, run

$ pip3 install --upgrade --no-cache-dir xpl

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).

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).

Screenshot

Exporting the data or the plot is not yet supported.

Building

(Notes to self) Don't forget to change version name, then in the main folder:

python3 setup.py sdist bdist_wheel
python3 -m twine upload dist/xpl-VERSION*

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