RESUMO
MXCuBE2 is the second-generation evolution of the MXCuBE beamline control software, initially developed and used at ESRF - the European Synchrotron. MXCuBE2 extends, in an intuitive graphical user interface (GUI), the functionalities and data collection methods available to users while keeping all previously available features and allowing for the straightforward incorporation of ongoing and future developments. MXCuBE2 introduces an extended abstraction layer that allows easy interfacing of any kind of macromolecular crystallography (MX) hardware component, whether this is a diffractometer, sample changer, detector or optical element. MXCuBE2 also works in strong synergy with the ISPyB Laboratory Information Management System, accessing the list of samples available for a particular experimental session and associating, either from instructions contained in ISPyB or from user input via the MXCuBE2 GUI, different data collection types to them. The development of MXCuBE2 forms the core of a fruitful collaboration which brings together several European synchrotrons and a software development factory and, as such, defines a new paradigm for the development of beamline control platforms for the European MX user community.
RESUMO
ID29 is an ESRF undulator beamline with a routinely accessible energy range of between 20.0â keV and 6.0â keV (λ = 0.62â Å to 2.07â Å) dedicated to the use of anomalous dispersion techniques in macromolecular crystallography. Since the beamline was first commissioned in 2001, ID29 has, in order to provide an improved service to both its academic and proprietary users, been the subject of almost continuous upgrade and refurbishment. It is now also the home to the ESRF Cryobench facility, ID29S. Here, the current status of the beamline is described and plans for its future are briefly outlined.
Assuntos
Substâncias Macromoleculares/química , Síncrotrons/instrumentação , Tripsina/química , Difração de Raios XRESUMO
The dynamics of color centers, being a promising quantum technology, is strongly dependent on the local environment. A synergistic approach of X-ray fluorescence analysis and X-ray excited optical luminescence (XEOL) using a hard X-ray nanoprobe is applied. The simultaneous acquisition provides insights into compositional and functional variations at the nanoscale demonstrating the extraordinary capabilities of these combined techniques. The findings on cobalt doped zinc oxide nanowires show an anticorrelation between the band edge emission of the zinc oxide host and the intra-3d cobalt luminescence, indicating two competing recombination paths. Moreover, time-resolved XEOL measurements reveal two exponential decays of the cobalt luminescence. The fast and newly observed one can be attributed to a recombination cascade within the cobalt atom, resulting from direct excitation. Thus, this opens a new fast timescale for potential devices based on cobalt color centers in ZnO nanowires in photonic circuits.
RESUMO
The design and features of a beamline control software system for macromolecular crystallography (MX) experiments developed at the European Synchrotron Radiation Facility (ESRF) are described. This system, MxCuBE, allows users to easily and simply interact with beamline hardware components and provides automated routines for common tasks in the operation of a synchrotron beamline dedicated to experiments in MX. Additional functionality is provided through intuitive interfaces that enable the assessment of the diffraction characteristics of samples, experiment planning, automatic data collection and the on-line collection and analysis of X-ray emission spectra. The software can be run in a tandem client-server mode that allows for remote control and relevant experimental parameters and results are automatically logged in a relational database, ISPyB. MxCuBE is modular, flexible and extensible and is currently deployed on eight macromolecular crystallography beamlines at the ESRF. Additionally, the software is installed at MAX-lab beamline I911-3 and at BESSY beamline BL14.1.