leonarski_f
4a852b4d6b
This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132. * jfjoch_broker: Add better locking for detector object - should help, when detector initialization takes too long * jfjoch_writer: Enable writing single, integrated HDF5 file with both data and metadata * XDS plugin: Add generation of Jungfraujoch plugin for XDS * CI: Add tests with XDS and DIALS (`xia2.ssx`) Reviewed-on: #43
1.6 KiB
Integration with MX data processing software
XDS
Jungfraujoch files are compatible with XDS, but there is a need of a dedicated plugin.
First we recommend to use Jungfraujoch own XDS plugin. It is available for Linux only and can
be downloaded from Gitea release directory (compiled on RHEL 8), it is also distributed in jfjoch_viewer RPM/APT packages.
To use the plugin, download the file libjfjoch_xds_plugin.so.1.0.0 (three numbers at the end represent version of the plugin, and can differ later in time),
save it to common directory (e.g., /opt/xds) and add the following line in the XDS.INP file:
LIB="/opt/xds/libjfjoch_xds_plugin.so.1.0.0"
We are also testing XDS with Durin and Neggia plugins, though they don't have full functionality:
- Neggia plugin doesn't support HDF5 virtual data sets. It can be downloaded from github.com/dectris/neggia.
- Durin has known bugs with handling non-DECTRIS files (so with virtual data sets or single format HDF5 file format). We recommend Durin plugin prepared by the Global Phasing consortium: github.com/CV-GPhL/durin, rather than original from the Diamond Light Source.
DIALS
Jungfraujoch files are tested regularly with DIALS (currently v. 3.27.0) xia2.ssx pipeline for serial crystallography.
There is one known limitation: files generated with NXmxLegacy format (mimicking DECTRIS filewriter1 format)
are not handled properly with DIALS. VDS based HDF5 format (NXmxVDS) is recommended, when using DIALS.
CrystFEL
Jungfraujoch files are compatible with CrystFEL.