The MXCuBE3 has been introduced as the user interface for data collection tasks. This new interface has proven to be more user-friendly, reducing the likelihood of errors and enhancing the efficiency of automatically organizing user data through the IsPyB database. Users collect diffraction data using MXCUBE3 interface which function as upper layer that controls the major devices such as MD2 diffractometer, sample changer, Pilatus3 6M detector, and fast shutter.
The data processing software implemented in BL18U1 endstation computers includes HKL3000, XDS, autoPROC, and autoPX. The autoPX is the first domestically developed high performance data processing software with full intellectual properties. Crystallographic packages of CCP4 suite, PHENIX package, and SHELX are also implemented in the endstation computers. These on-site software and packages provide a convenient option for immediate data processing, structure solution, and refinement to check the structure.
An automatic data processing pipeline featuring xia2-XDS, autoProc, xia2-DIALS, autoPX was implemented in BL18U1, and the pipeline has been running continuously since its implementation.
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