https://github.com/msujas/pdfgetx3_gui
A gui for running PDFgetX3
https://github.com/msujas/pdfgetx3_gui
gui pdf pdfgetx3 python
Last synced: 6 months ago
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A gui for running PDFgetX3
- Host: GitHub
- URL: https://github.com/msujas/pdfgetx3_gui
- Owner: msujas
- License: mit
- Created: 2022-08-14T16:38:19.000Z (almost 4 years ago)
- Default Branch: master
- Last Pushed: 2025-11-27T14:03:10.000Z (7 months ago)
- Last Synced: 2025-11-30T05:28:50.941Z (7 months ago)
- Topics: gui, pdf, pdfgetx3, python
- Language: Python
- Homepage:
- Size: 5.64 MB
- Stars: 5
- Watchers: 1
- Forks: 2
- Open Issues: 2
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# pdfgetx3_gui
A gui for running PDFgetX3. I think it's a little easier to use than the interactive mode in PDFgetX3. Requires PDFgetX3 https://www.diffpy.org/products/pdfgetx.html, other dependencies (SciPy, numpy, matplotlib, PyQt5) will be installed through the installation (if not already installed). Recommended Python 3.10, and pip as your package manager, as this is the most recent version supported by PDFgetX3.
To install, either clone this repository and run ```pip install -e .``` (-e optional to make it editable), or from PyPi with ```pip install pdfgetx3gui```. This creates a python package with an exe file called pdfgetx3gui in the python 'Scripts' folder, then it can be run with ```pdfgetx3gui``` in the terminal (if Scripts is in your PATH).
Plots update on changing parameter values. Log files are made to store the current configuration so the settings are the same on rerunning the script.
Selected measurement files and background files are put into lists so they can be easily accessed again later. Press 'Plot' to run the calculation and display the selected plots (can choose any from I(Q), S(Q), F(Q), and G(r)). Pressing 'Save' will save text files containing the data of the selected plots. If the input format is '2theta', 'Save' will also return the background subtracted data as a function of 2theta with the name of \_bkgsub.xy.
There's a rebinning option to reduce high Q noise. It's not so efficient, so could probably be faster.
Troubleshooting:
If there's issues with package conflicts, or Qt bugs, probably easiest to try a new Python 3.10 environment. Recommend using pip as your package manager (not conda's built in one). In conda e.g.
```
conda create -n pgx python==3.10
```
Install pdfgetx3 - if you don't have: get license, download from Columbia Technology Ventures https://inventions.techventures.columbia.edu/licenses/pdfgetx3-n3-s3-free-academic--113
```
pip install .whl
```
clone this repository, navigate to it and install
```
cd /pdfgetx3_gui/
pip install -e .
```
Or from PyPi
```
pip install pdfgetx3gui
```
This will install other dependencies as well.