title: ISPyB for BioSAXS, the gateway to user autonomy in solution scattering experiments.
abstract: Logging experiments with the laboratory-information management system ISPyB (Information System for Protein crystallography Beamlines) enhances the automation of small-angle X-ray scattering of biological macromolecules in solution (BioSAXS) experiments. The ISPyB interface provides immediate user-oriented online feedback and enables data cross-checking and downstream analysis. To optimize data quality and completeness, ISPyBB (ISPyB for BioSAXS) makes it simple for users to compare the results from new measurements with previous acquisitions from the same day or earlier experiments in order to maximize the ability to collect all data required in a single synchrotron visit. The graphical user interface (GUI) of ISPyBB has been designed to guide users in the preparation of an experiment. The input of sample information and the ability to outline the experimental aims in advance provides feedback on the number of measurements required, calculation of expected sample volumes and time needed to collect the data: all of this information aids the users to better prepare for their trip to the synchrotron. A prototype version of the ISPyBB database is now available at the European Synchrotron Radiation Facility (ESRF) beamline BM29 and is already greatly appreciated by academic users and industrial clients. It will soon be available at the PETRA III beamline P12 and the Diamond Light Source beamlines I22 and B21.
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Alejandro
authors.initials: A
authors.lastname: De Maria Antolinos
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Petra
authors.initials: P
authors.lastname: Pernot
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Martha E
authors.initials: ME
authors.lastname: Brennich
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Jérôme
authors.initials: J
authors.lastname: Kieffer
authors.affiliation: European Molecular Biology Laboratory, Grenoble Outstation, 71 avenue des Martyrs, CS 90181, 38042 Grenoble, France.
authors.forename: Matthew W
authors.initials: MW
authors.lastname: Bowler
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Solange
authors.initials: S
authors.lastname: Delageniere
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Staffan
authors.initials: S
authors.lastname: Ohlsson
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Stephanie
authors.initials: S
authors.lastname: Malbet Monaco
authors.affiliation: DLS, Diamond House, Harwell Science and Innovation Campus, Fermi Avenue, Didcot OX11 0QX, England.
authors.forename: Alun
authors.initials: A
authors.lastname: Ashton
authors.affiliation: European Molecular Biology Laboratory, Hamburg Outstation, c/o DESY, Building 25A, Notkestrasse 85, 22603 Hamburg, Germany.
authors.forename: Daniel
authors.initials: D
authors.lastname: Franke
authors.affiliation: European Molecular Biology Laboratory, Hamburg Outstation, c/o DESY, Building 25A, Notkestrasse 85, 22603 Hamburg, Germany.
authors.forename: Dmitri
authors.initials: D
authors.lastname: Svergun
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Sean
authors.initials: S
authors.lastname: McSweeney
authors.affiliation: European Synchrotron Radiation Facility, 71 avenue des Martyrs, CS 40220, 38042 Grenoble, France.
authors.forename: Elspeth
authors.initials: E
authors.lastname: Gordon
authors.affiliation: European Molecular Biology Laboratory, Grenoble Outstation, 71 avenue des Martyrs, CS 90181, 38042 Grenoble, France.
authors.forename: Adam
authors.initials: A
authors.lastname: Round
mesh_terms: D001331:Automation; D003196:Computer Graphics; D008962:Models, Theoretical; D053838:Scattering, Small Angle; D017356:Synchrotrons; D014584:User-Computer Interface
keywords: automation; laboratory information-management system; proteins in solution; small-angle X-ray scattering