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Current CRIMS – ISPyB communication status

Current CRIMS – ISPyB communication status. CRIMS, The CRystallization Information Management System. Web-based software application crystallization laboratories Design and evaluation of experiments Integration of laboratory robots Automated data flow User defined interfaces.

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Current CRIMS – ISPyB communication status

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  1. Current CRIMS – ISPyB communication status

  2. CRIMS, The CRystallization Information Management System • Web-based software application crystallization laboratories • Design and evaluation of experiments • Integration of laboratory robots • Automated data flow • User defined interfaces Imaging (Vis/UV) Crystallization • EMBL collaboration QC Michal Jamroz Peter Murphy Liquid handling More than 1500 users! Automated crystal optimization Marquez Team, EMBL Grenoble Contact: marquez@embl.fr

  3. Why is it needed? Current limitations • Manual data entry is slow and error prone (reuse rather than duplicate) • Discontinuous data flow between crystallization and data collection/processing • New applications require integration of different data types from multiple sources • We are measuring more and more samples • A larger proportion of experiments are performed remotely or in fully automated mode (MASSIF) • New applications data intensive • automated crystallography • large scale fragment screening Marquez Team, EMBL Grenoble Contact: marquez@embl.fr

  4. Experimental flow (standard protocol) Crystal harvesting Crystallization Home lab Marquez Team, EMBL Grenoble Contact: marquez@embl.fr

  5. Experimental flow (standard protocol) Crystal harvesting Crystallization Data collection Synchrotron Home lab Marquez Team, EMBL Grenoble Contact: marquez@embl.fr

  6. Experimental flow (standard protocol) Crystal harvesting Crystallization Data collection Alejandro de Maria Olof Svensson Solange Delageniere Stephanie Monaco Token based authentication Synchrotron Home lab Marquez Team, EMBL Grenoble Contact: marquez@embl.fr

  7. Experimental flow (standard protocol) Crystal harvesting Crystallization Data collection Alejandro de Maria Olof Svensson Solange Delageniere Stephanie Monaco Token based authentication HTTP requests Synchrotron Home lab Marquez Team, EMBL Grenoble Contact: marquez@embl.fr

  8. Experimental flow (harvester @ beamline) Crystal harvesting Crystallization Data collection HTTP request crystal_uuid HTTP request Olof Svensson Synchrotron Home lab Marquez Team, EMBL Grenoble Contact: marquez@embl.fr

  9. Status Marquez Team, EMBL Grenoble Contact: marquez@embl.fr • Consuming the RESTful ISPyB web services • Token based authentication • Massif/Manual • Forcing space groups • Selecting beam size • Selecting workflows & methods • Retrieving Data • Richer data for users • Space groups

  10. Next developments Marquez Team, EMBL Grenoble Contact: marquez@embl.fr transferring crystal coordinates to ISPyB and MXCuBE for fast crystal centring Automation of in situ data collection Implementing crystal groups and priorities standardize the API protocol communication between multiple home labs and different synchrotrons.

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