Metadata-Version: 2.1
Name: xpl
Version: 0.8.6.2
Summary: XPS spectrum analysis
Home-page: https://github.com/schachmett/xpl
Author: Simon Fischer
License: GPLv3
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).
        
        ## New Version
        
        There 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.
        
        
        ## Installation
        ### Ubuntu
        
        If 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`.
        
        ```shell
        $ 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 **launch** xpl, just select it from your applications menu. Alternatively, run it as a module:
        
        ```shell
        $ python3 -m xpl
        ```
        
        To **update** xpl, run
        
        ```shell
        $ pip3 install --upgrade xpl
        ```
        
        ### Windows
        
        I have not yet succeeded in building a windows `.exe` style 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) from https://www.python.org/downloads/windows/ or Anaconda or whatever. Then, you need PyGObject eiter from https://sourceforge.net/projects/pygobjectwin32/ or through MSYS (http://www.msys2.org). I could not get it to work.
        
        <!---
        Download the x86_64 installer from http://www.msys2.org/. The instructions are shown on the website, here it is in short form: Follow the installer, then in the MSYS console type `pacman -Syu` and `pacman -Su`. If you encounter a warning, just close the MSYS console and try again.
        
        In the MSYS console, run
        
        ```
        pacman -S mingw-w64-i686-gtk3 mingw-w64-i686-python3-gobject
        ```
        --->
        
        ## 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](doc/demo_atomlib.png "Matching peaks")
        
        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` which 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).
        
        ![Screenshot](doc/demo_fitting.png "Fitting Ag3d peaks")
        
        Exporting the data or the plot is not yet supported.
        
        ## Building
        ### PyPI
        
        Run this for building the pypi package and uploading it.
        
        ```shell
        python3 setup.py sdist bdist_wheel
        python3 -m twine upload dist/xpl-VERSION*
        ```
        
        Note to self: Don't forget to use the correct version name when uploading to pypi.
        
        ### Executable for Linux
        
        Just run
        
        ```shell
        pyinstaller xpl_linux.spec
        ```
        
        This makes an executable `dist/xpl/XPL`. For now, this still produces a Gtk-Warning about libcanberra when running the app but that can probably safely be ignored.
Keywords: physics XPS x-ray photoelectron spectroscopy chemistry
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3
Classifier: Environment :: X11 Applications :: GTK
Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
Classifier: Topic :: Scientific/Engineering :: Physics
Requires-Python: ~=3.5
Description-Content-Type: text/markdown
