---
title: "XDS"
url: "https://help.dectris.cloud/en/article/xds"
language: "en"
last_updated: "2026-07-16T01:07:28.077Z"
---

# XDS

## **Introduction**

The public [XDS](https://app.dectris.cloud/sections/library/environments/public/019680c9-1ddb-7fc1-a2a6-38d0e52def1e) [environment](https://help.dectris.cloud/en/article/environments) provides a fully configured installation of the X-ray Detector Software (XDS), optimized for quick command-line analysis of X-ray diffraction data. The setup includes plugins required for processing HDF5 files and additional Python libraries for plotting results.

## **Environment configuration**

### **Installation directories**

All XDS binaries are installed in `/opt/xds/`. The environment automatically adds `/opt/xds/` to the system `PATH` upon launching a terminal. As a result, XDS commands can be executed immediately from any directory. The script `generate_XDS.INP` for automatically generating XDS input files can also be found in `/opt/xds/`.

Plugins required for reading `.h5` files—specifically `durin-plugin.so` and `dectris-neggia.so`—are also located in `/opt/xds/`.

### **Python plotting venv**

Starting from version 1, additional Python libraries are provided through a dedicated virtual environment (`venv`). These libraries facilitate easy plotting of results generated by XDS. Activate this environment to utilize these plotting capabilities.

### **Usage example**

If you don't already have an input file, you can generate a starter `XDS.INP` file by running `generate_XDS.INP` from the command line, using your data files as input:

![](https://cdn-assets.productfruits.com/7088f78d-92eb-43d2-a006-913209175925)

The generated `XDS.INP` file can be opened and edited in any text editor to suit your specific requirements:

![](https://cdn-assets.productfruits.com/29a1e513-4b16-4359-8435-1d357dde0a98)

Once configured, you can run `xds_par` directly from the command line to start processing.

### **Configuring job templates**

If creating your own [job templates](https://help.dectris.cloud/en/article/jobs) for this environment, ensure you have access to the XDS commands by including the following at the start of your job script:  
`export PATH="/opt/xds:$PATH"`

Before plotting results, the Python plotting environment can be activated within the template using:  
`source /opt/plotting/bin/activate`

If you are analyzing `.h5` files and using your own or a generated XDS input file, make sure to adapt the library path within `XDS.INP`, for example:

`LIB=/opt/xds/dectris-neggia.so`

## **Public job templates**

Example of job templates that have been created for this environment and made public:

-   [PRETTY XDS](https://help.dectris.cloud/en/article/pretty-xds): Runs `xds_par` followed by `xds_conv` . Input is specified by defining paths to folders where the `XDS.INP` and `XDSCONV.INP` files are located. The XDS parameters [**MAXIMUM\_NUMBER\_OF\_JOB**](https://xds.mr.mpg.de/html_doc/xds_parameters.html#MAXIMUM_NUMBER_OF_JOBS=) and [**MAXIMUM\_NUMBER\_OF\_PROCESSORS**](https://xds.mr.mpg.de/html_doc/xds_parameters.html#MAXIMUM_NUMBER_OF_PROCESSORS=) can be defined in the job template.
-   [Simple XDS\_PAR](https://help.dectris.cloud/en/article/simple-xds-par): Makes it possible to select a path to data and as well as an `XDS.INP`  within the experiment or project directory and run `xds_par` with the chosen input file.

## **Version history**

### **Version 0**

-   Initial installation of XDS (VERSION Jan 19, 2025 BUILT=20250409).
-   Setup of necessary plugins for HDF5 file support.

### **Version 1**

-   Added Python virtual environment (`venv`) with plotting libraries installed for convenient visualization of XDS outputs.
-   Python packages include:
    -   numpy
    -   matplotlib
    -   h5py
    -   hdf5plugin
    -   argparse
    -   pandas

### **Version 2**

-    Rebuilt the environment so that it works in all regions (functionally the same as version 1).

### **Version 3**

-   Updated XDS (VERSION Jan 19, 2025  BUILT=20250714)

## **References**

1.  XDS Program Package: [https://xds.mr.mpg.de/](https://xds.mr.mpg.de/)
2.  XDS References: [https://xds.mr.mpg.de/html\_doc/references.html](https://xds.mr.mpg.de/html_doc/references.html)
3.  XDS wiki: [https://wiki.uni-konstanz.de/xds/index.php/Main\_Page](https://wiki.uni-konstanz.de/xds/index.php/Main_Page)