The manuals and reference of Jungfraujoch and Rugnux, open-source software from the Paul Scherrer Institute for X-ray diffraction data. The front page has the overview and the downloads; this page is the map of the documentation.
Data processing
Processes a stored macromolecular diffraction dataset, a rotation sweep or serial stills, from the images to merged data: spot finding, indexing, integration, scaling and merging, with the space group, cell and resolution decided from the data and a report that says on what evidence. Given an atomic model it goes on to a refined structure and maps: the model is placed (rigid body or molecular replacement) and refined against the merge. One command, no parameters.
rugnux <diffraction image file>
rugnux <diffraction image file> <CIF/PDB model file>Linux · macOS · Windows · fast on an NVIDIA GPU, works without one
Desktop application
Shows what is in a diffraction dataset: every image with its spots, predictions and resolution rings, per-image statistics over the sweep, grid-scan maps, and the same processing pipeline as Rugnux, run from a settings panel on the open file. Follows a live collection from a running Jungfraujoch broker.
Linux · macOS · Windows · Qt 6
Data acquisition
The data-acquisition and real-time analysis system for the PSI JUNGFRAU and EIGER detectors, and for DECTRIS detectors through their control unit: an FPGA and GPU pipeline that takes the detector's frames at full rate, analyses them on the fly, streams them to the NXmx HDF5 writer and serves a web interface and REST API to the beamline.
Linux servers · AMD Alveo U55C FPGA · NVIDIA GPUs