MxCuBE: a synchrotron beamline control environment customized for macromolecular crystallography experiments

Area of Science:

• Synchrotron Radiation Science
• Crystallography
• Software Engineering

Background:

• Macromolecular crystallography (MX) experiments require sophisticated control systems for efficient operation.
• Existing synchrotron beamline control often involves complex hardware interactions.
• Automated routines are needed to streamline common experimental tasks.

Purpose of the Study:

• To describe the design and features of MxCuBE, a novel beamline control software for MX.
• To provide users with an intuitive interface for interacting with beamline hardware.
• To offer automated routines for common synchrotron beamline operations.

Main Methods:

• Development of a modular and extensible software system, MxCuBE.
• Implementation of intuitive graphical user interfaces for hardware control and data assessment.
• Integration of automated routines for experiment planning and data collection.
• Deployment in a client-server mode for remote operation and data logging into ISPyB.

Main Results:

• MxCuBE enables simplified user interaction with beamline hardware.
• Automated routines facilitate common tasks in MX experiments.
• Functionality includes diffraction assessment, experiment planning, and automatic data collection.
• Remote control and automatic data logging via ISPyB are supported.
• The software is deployed on multiple MX beamlines at ESRF, MAX-lab, and BESSY.

Conclusions:

• MxCuBE offers a flexible, extensible, and user-friendly solution for MX beamline control.
• The software enhances efficiency and accessibility for synchrotron-based crystallography experiments.
• MxCuBE is successfully deployed and utilized across several leading synchrotron facilities.