ISPYB: Advancements in MX Data Management
ISPYB plays a crucial role in MX experiments, supporting collaborative projects with over 1K datasets annually. The current state, demand for functionalities, and comparisons between different MX processes highlight the significance of ISPYB in managing data effectively. Development plans emphasizing modularity and collaboration aim to enhance ISPYB's capabilities for the future.
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ISPYB @ EMBL HH MX ISPYB review meeting HH 12 02 2020 Gleb Bourenkov
In use since 2014, as an essential dependency of MxCuBE 2.0 ISPYB, EXI SynchWeb on top of ESRF/MxCuBE-style data base since 2019, not yet advertised to the users ISPYB is addictive for MX both beamline staff users Very little contribution to development until now
Comments on the current state in MX ISPYB user in a bunch of collaborative projects, c.a. 1K data sets / year Great your 2015 data are just there! Can it be a unique LIMS for your beamline work? flat sample ( protein->crystal ) model need to book keep samples some place else no curation of processed data need to book keep processed data some place else
Strong demand for ISPYB functionalities in new experiments Time-resolved MX 70 shifts / year @T-REXX end station Solid support SSX, hit-and-return, liquid application >10 chips, 500 data sets per shift MxCuBE Automatic processing in place Almost measurements
Tr-MX vs MX in ISPYB: Protein->Crystal: exact same Sample containers, shipment etc.: very different Data collection: very different Data processing: very different Processing results: some commonalities (limited)
High throughput X-ray imaging (XRI) and micro-tomography
XRI vs MX in ISPYB: Sample: very different Sample containers, shipment etc.: identical Data collection: almost identical Data processing: very different Processing results: very different
Modularity in development and deployment Collaborate on all components data bases, services/APIs, frontends Share development framework for all (or most) components Share modules (like standard MX) Depending on the outcome of the meeting, up to 1.5 additional FTEs on ISPYB-related developments for next ~3 years
