docs(saxs): import data analysis guide from the documentation wiki #235

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(user.saxs.data_analysis)=
# Data analysis
We can access the online computing resources from the beamline consoles when logged in as the e-account.
## Allocation of nodes
Check available nodes and allocate one:
```bash
sinfo
salloc -A csaxs -p csaxs -w [ra-c-110]
ssh -Y [ra-c-110]
```
Or for a GPU node:
```bash
salloc -A csaxs -p gpu-csaxs --gpus=4 [-w ra-gpu-003]
ssh -Y [ra-gpu-003]
```
(note that we need to ask them to explicitly use one of our GPU nodes there, and this needs a couple of days to set up)
**The home directory is the p group.** To go to the raw directory we need to navigate there:
```bash
cd /sls/x12sa/data/[p22598]/raw
```
## Python tools
### Python package installation
Anaconda is no longer supported. Packages should now be installed directly using `pip`.
For example, `pyFAI` can be installed as follows:
```bash
module load Python/3.11.11
pip install "pyFAI[gui]"
```
To launch the `pyFAI` applications:
```bash
# Detector calibration
python -m pyFAI.app.calib2
# Batch integration
python -m pyFAI.app.integrate
```
### Recommended: using a Python virtual environment
For long-term maintainability and reproducibility, it is recommended to use a dedicated Python virtual environment.
#### Create a virtual environment
```bash
cd /sls/x12sa/data/[p-group]/raw
module load Python/3.11.11
mkdir python-env
cd python-env
# Create a virtual environment named ".venv"
python3 -m venv .venv
# Activate the environment
source .venv/bin/activate
# Install required packages
pip install "pyFAI[gui]"
```
#### Use an existing virtual environment
```bash
cd /sls/x12sa/data/[p-group]/raw/python-env
source .venv/bin/activate
```
### Troubleshooting
If you encounter the following error when launching GUI applications (e.g. `pyFAI-calib2`):
```text
X11 connection rejected
```
reconnect to the analysis node with X11 forwarding enabled:
```bash
ssh -X [ra-c-110]
```
and then reactivate the virtual environment before launching the application.
## Use Jupyter Notebook / Lab
Create a virtual environment following the instructions above, then:
```bash
pip install jupyter
```
To run Jupyter Lab:
```bash
jupyter lab --port 6006 --ip $(hostname) --no-browser
```
## Setup online radial integration on Jungfraujoch
1. **Calibrate the detector using pyFAI.**
Analyze a calibration scan carefully with `pyFAI` and save the resulting **PONI** file and **pixel mask**. Also determine the beam center position.
:::{note}
As of 2026-06-18, Jungfraujoch only accepts `uint32` TIFF mask files. If the mask generated by `pyFAI` is stored as `uint8`, it needs to be converted to the required format before uploading.
To do this (from the home directory `/sls/x12sa/data/[p-group]/raw/`):
- Activate the python environment: `source mask/.mask/bin/activate`
- Run `python convert_mask_format.py -i <input .tif file path> -o <output .tiff file path>`
:::
2. **Update the BEC configuration.**
Update the detector distance and beam center coordinates in the BEC configuration files using the calibration results.
3. **Configure Jungfraujoch.**
Open the **Jungfraujoch Expert Configuration** panel in the frontend interface, for example:
```text
http://sls-jfjoch-001:8080/frontend
```
- Upload the pixel mask under **Pixel Mask**.
- Fill in the required parameters under **Azimuthal Integration Settings**.
- Make sure to enable **Force CPU calculation in FPGA workflow**.
- After uploading a new configuration, do not press "initialize", as this will remove all the previously uploaded configuration.
4. **Detector rotation (if required).**
:::{note}
Adding rotation of the detector still needs to be documented (likely configured in the BEC configuration).
:::
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(user.saxs)=
# Saxs
# SAXS
Welcome to the SAXS section of the cSAXS beamline.
```{toctree}
---
maxdepth: 2
hidden: true
---
data_analysis
```
## Beamtime allocation
***
````{grid} 2
:gutter: 5
```{grid-item-card}
:link: user.saxs.data_analysis
:link-type: ref
:img-top: /assets/biotech.svg
:text-align: center
:class-item: index-card
## Data analysis
Allocating compute nodes, pyFAI installation and usage, and online radial integration on Jungfraujoch.
```
````
## Reference documents
- {download}`SAXS standards plate (PDF) <SAXS_standards_plate.pdf>`