# XPS-Export: XPS Data Conversion for Human and Python Readability
**XPS-Export** is a Python-based tool designed to facilitate the conversion of **SPE**, **ANG**, **SXI**, and **PRO** files from X-ray Photoelectron Spectroscopy (XPS) measurements into a format that is both human- and Python-readable. This streamlined conversion ensures easy access, readability, and visualization of measurement data for further analysis and interpretation.
XPS-Export was developed to streamline the analysis and sharing of XPS measurement data, making it accessible for scientists and engineers.
Feel free to contribute improvements or report issues to enhance this tool for the XPS community!
---
## Key Features
- **Comprehensive Data Transformation**:
Converts raw XPS measurement files into a structured and accessible format.
- **Output as a ZIP Archive**:
The conversion process generates a ZIP file containing multiple organized files for enhanced usability.
### ZIP File Contents:
1. **Metadata File**:
- **`metadata.xml`**: A detailed XML file containing all header data.
- The data is condensed and presented in an easily readable, descriptive format.
2. **Measurement Data**:
- Each measurement is saved as a **tab-separated CSV file** with a header line.
- CSV filenames are derived from the measurement descriptions.
3. **Visual Representation**:
- For every measurement, a **PDF plot** is generated to visualize the data.
- PDF filenames correspond to the measurement descriptions.
---
## Benefits
- **Human-Readable**:
The condensed XML metadata and descriptive filenames ensure clarity for manual review.
- **Machine-Friendly**:
The CSV format enables seamless integration with Python and other data processing workflows.
- **Efficient Visualization**:
Auto-generated PDF plots provide quick insights into measurement trends and values.
- **Organized Output**:
The ZIP file structure ensures all related data is packaged together for easy sharing and storage.
---
## Applications
- Post-experiment analysis of XPS measurements.
- Integration into automated workflows for advanced data analysis.
- Creation of visual representations for reports or presentations.
---
## Installation and Usage
1. **Instalation**:
- Python >= 3.1
- pip >= 22.0.2
- pip install xps-export
2. **Run the Script**:
```bash
xps-export --help
usage: xps-export.py [-h] [--create-plots] [--create-csv]
input_file output_file
Utility for parsing files to XML.
positional arguments:
input_file Path to the XPS file.
output_file Path to the output file (without extention). default: input_file (without extention).
options:
-h, --help show this help message and exit
--skip-plots Don't generate plots.
--skip-csv Don't generate CSV files.
xps-export test/SGL_reduced.spe
When utilizing xps-export, please cite it using the following DOI: 10.5281/zenodo.14269021
Exporting data from test/SGL_reduced.spe to test/SGL_reduced.zip
Export finished.
```
2. **Output**:
The ZIP file containing metadata, CSVs, and PDFs will be saved as {output_file}.zip .
##Developers and Designers
Richard W. van Nieuwenhoven <nieuwenhoven@iap.tuwien.ac.at>
Johannes Prisslan <e12042169@student.tuwien.ac.at>
Kai Alexander Schwenzfeier <schwenzfeier@iap.tuwien.ac.at>
Markus Valtiner <markus.valtiner@tuwien.ac.at>
Raw data
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"description": "# XPS-Export: XPS Data Conversion for Human and Python Readability\n\n**XPS-Export** is a Python-based tool designed to facilitate the conversion of **SPE**, **ANG**, **SXI**, and **PRO** files from X-ray Photoelectron Spectroscopy (XPS) measurements into a format that is both human- and Python-readable. This streamlined conversion ensures easy access, readability, and visualization of measurement data for further analysis and interpretation.\n\nXPS-Export was developed to streamline the analysis and sharing of XPS measurement data, making it accessible for scientists and engineers.\n\nFeel free to contribute improvements or report issues to enhance this tool for the XPS community!\n\n---\n\n## Key Features \n\n- **Comprehensive Data Transformation**: \n Converts raw XPS measurement files into a structured and accessible format.\n\n- **Output as a ZIP Archive**: \n The conversion process generates a ZIP file containing multiple organized files for enhanced usability. \n\n### ZIP File Contents:\n1. **Metadata File**: \n - **`metadata.xml`**: A detailed XML file containing all header data. \n - The data is condensed and presented in an easily readable, descriptive format. \n\n2. **Measurement Data**: \n - Each measurement is saved as a **tab-separated CSV file** with a header line. \n - CSV filenames are derived from the measurement descriptions. \n\n3. **Visual Representation**: \n - For every measurement, a **PDF plot** is generated to visualize the data. \n - PDF filenames correspond to the measurement descriptions. \n\n---\n\n## Benefits \n\n- **Human-Readable**: \n The condensed XML metadata and descriptive filenames ensure clarity for manual review. \n\n- **Machine-Friendly**: \n The CSV format enables seamless integration with Python and other data processing workflows. \n\n- **Efficient Visualization**: \n Auto-generated PDF plots provide quick insights into measurement trends and values. \n\n- **Organized Output**: \n The ZIP file structure ensures all related data is packaged together for easy sharing and storage. \n\n---\n\n## Applications \n\n- Post-experiment analysis of XPS measurements. \n- Integration into automated workflows for advanced data analysis. \n- Creation of visual representations for reports or presentations. \n\n---\n\n## Installation and Usage \n\n1. **Instalation**: \n - Python >= 3.1 \n - pip >= 22.0.2\n - pip install xps-export \n\n2. **Run the Script**: \n ```bash\n xps-export --help\n\n usage: xps-export.py [-h] [--create-plots] [--create-csv]\n input_file output_file\n \n Utility for parsing files to XML.\n \n positional arguments:\n input_file Path to the XPS file.\n output_file Path to the output file (without extention). default: input_file (without extention). \n \n options:\n -h, --help show this help message and exit\n --skip-plots Don't generate plots.\n --skip-csv Don't generate CSV files.\n \n xps-export test/SGL_reduced.spe\n \n When utilizing xps-export, please cite it using the following DOI: 10.5281/zenodo.14269021\n Exporting data from test/SGL_reduced.spe to test/SGL_reduced.zip\n Export finished.\n\n ```\n2. **Output**: \n The ZIP file containing metadata, CSVs, and PDFs will be saved as {output_file}.zip .\n\n##Developers and Designers\n\n Richard W. van Nieuwenhoven <nieuwenhoven@iap.tuwien.ac.at>\n Johannes Prisslan <e12042169@student.tuwien.ac.at>\n Kai Alexander Schwenzfeier <schwenzfeier@iap.tuwien.ac.at>\n Markus Valtiner <markus.valtiner@tuwien.ac.at>\n\n\n\n\n\n",
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