CCP4 Study Weekend 2019 - What's New? DUI: Dials user interface - Luis Fuentes Montero скачать в хорошем качестве

CCP4 Study Weekend 2019 - What's New? DUI: Dials user interface - Luis Fuentes Montero

The DIALS User Interface (DUI) is a graphical user interface that is designed to make data processing with DIALS more user-friendly and efficient. A key feature is a full history tree that keeps track of all steps of processing. Every position in the tree represents the execution of a DIALS command line with full record of the user-supplied parameters, and the results, which can be inspected with several visualisation tools. At any step, the user can either fork, proceed to the next command or navigate to another step without loss of information. This ability to keep track of different branches of data processing gives the user freedom to explore different hypotheses, such as the space group of the crystal. The output and visualization tools in DUI are conveniently arranged in tabs that update their content when the user navigates the tree, allowing rapid comparisons to aid decision-making. Each tab provides a different view on the state at that position of the tree, from detailed log file output of the DIALS program and graphical reports to an interactive image viewer and a 3D reciprocal lattice viewer. The image viewer has been redesigned for DUI to provide responsiveness alongside various image overlays that give information about the spots and experimental models. The reciprocal lattice viewer complements this by providing a view of reflection positions in reciprocal space. Together these tools provide a powerful means for identifying problematic cases that may not be so readily apparent from the graphs and statistics in the report and log files. DUI is intended to be intuitive and immediately useful across a wide range of user expertise. Beginners learning about the integration process with DIALS will benefit from the ease-of-use of the GUI and the visualisation tools. Experts retain full control of the underlying DIALS programs and can use the history tree to test different ideas quickly. In this presentation these features of DUI will be demonstrated with a rotation dataset from a macromolecular crystal. DUI is distributed to users as part of CCP4 7.0.