Fast Detectors, Fast Data, Fast Processing

We have software solutions for all your data collection and processing needs.

Remote

Data collection occurs through a web-based GUI with a simple to understand set of controls that provides the ability to change samples, center samples, view diffraction images, raster sampes, download data sets, and view data integration summaries from RAPDv2.  Users can remotely collect data from anywhere in the world that supports an internet connection.  This GUI is supported on Chrome and Firefox but also works in Safari and Edge.

RAPDv2

RAPDv2 (Rapid Automated Processing of X-ray Data 2) combines Python 3.0 on the backend and the AngularJS framework on the frontend to create an updated user interface that works on any current web browser to allow users to leverage the computing resources at NE-CAT to view processed data, data analysis and perform structure solution. NE-CAT has modernized our heavily used RAPD away from Python2.7 and PHP; but the basic concept remains the same.  RAPD2 leverages the power of python and CCTBX (the Computational Crystallography Toolbox) on our compute cluster to automatically launch crystallographic programs, scrape the results from program output and present the results to the users on a web-browser, eliminating the need for installation of programs.

SBGrid

NE-CAT is a member of SBGrid.  All local crystallographic software is provided by SBGrid for use by on-site users.  For automated data processing remotely, use RAPD.

NEPort

We track all publications which use NE-CAT and use this information to construct our annual RPPR to NIH.

Documentation

For Staff, documentation on 24-ID is available on Gitlab.

Github

For Staff, a working repository for software and hardware development for 24-ID is available on GitHub.

Available Software and Resources

As part of our NIH Resource Sharing Plan, NE-CAT makes available our software and resources developed at the facility.

Resource What it does Where License
RAPD Automated data processing and analysis GitHub GNU Affero General Public License
RAPD2 Automated data processing and analysis, version 2 GitLab GNU Affero General Public License
REDHORN Real-time raster and spot-finding analysis Zenodo 3-Clause BSD License
MXI Speedy DIALS-like MX data-reduction for a single sweep GitHub 3-Clause BSD License
Detector stream-conversion software Converts detector streams to NeXus/HDF5; in use at SER-CAT and IMCA-CAT To be released  —
Remote interface Web-based remote data collection To be released  —
Beamline control software EPICS-based beamline control To be released  —
Hardware designs UV/Vis goniometer mount, fixed-target components, others On request —
Manuals and video tutorials Beamline and data-processing training YouTube —