ispyb@esrf · cryoem@esrf achievements cm01 (cryoem) was inaugurated on 10th of november first...

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Joint MxCuBE - ISPyB meeting DLS 2018 ISPyB@ESRF Alex de Maria Data Manager@Data Analysis Unit Software Group ESRF

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Page 1: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

Joint MxCuBE - ISPyB meeting DLS 2018

ISPyB@ESRF

Alex de MariaData Manager@Data Analysis Unit

Software GroupESRF

Page 2: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

Next main Developments

● Use of SCIPION

● Use as much as possible of the software provided by DLS

● Use of ISPyB webservices

● Use of EXI for data visualization

CryoEM

● Microscope to be installed in June● Users by the end of the year with automatic pipeline

and ISPyB up and running

FEW MONTHS AGO...

Page 3: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM@ESRF

Achievements

● CM01 (CryoEM) was inaugurated on 10th of November○ First users on 24th of November

● Data was collected and stored in ISPyB from the first experiment

○ Online data analysis by using Scipion

○ Data was ingested into ISPyB by using web services

○ Data was displayed on EXI

Page 4: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM@ESRF

Partners

Page 5: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM@ESRF

Thanks!!

Page 6: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

● Started July 2017○ Requirements analysis

■ Data Model■ Pipeline using Scipion

● October 2017○ Web Services○ User interface in EXI

CryoEM Developments@ESRF

Developments Timeline

Page 7: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM Developments@ESRF

Data Model

https://github.com/ispyb/ispyb-database-modeling/issues

Page 8: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM Developments@ESRF

Data Model

● MOVIES● MOTION CORRECTION● MOTIONCORRECTON DRIFT ● CTF

Page 9: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment
Page 10: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment
Page 11: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM Developments@ESRF

Potential Issues

● Data Collection Table○ Grid square snapshot stored as xtalSnapshot1○ Voltage stored as wavelength

● DataCollectionGroup Table○ Grid snapshot stored as xtalSnapshotFullPath

Page 12: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

● BLSample

CryoEM Developments@ESRF

Potential Issues

Page 13: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM Developments@ESRF

ESRF ESRF DLSDLS

Page 14: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM Developments@ESRF

Page 15: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM Developments@ESRF

Scipion Monitors

● Development of Scipion monitors○ Based on DLS work○ Automatic capture of metadata

■ Grid and grid squares■ Movies■ Motion correction■ CTF

○ Use of web services

Page 16: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

CryoEM Developments@ESRF

Web Services

Page 17: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

Joint MxCuBE - ISPyB meeting DLS

Developments@EXI

Alex de MariaData Manager@Data Analysis Unit

Software GroupESRF

Page 18: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

EXI for CryoEM

Common ISPyB access for all Techniques

Page 19: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

EXI for CryoEM

Common ISPyB access for all Techniques

Page 20: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

New Developments on EXI

BioSAXS

● It is used in daily basis ● Still many minor issues to be solved● No progress done last semester

Page 21: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

EXI for CryoEM

MX

Page 22: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

New Developments on EXI

Page 23: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

New Developments on EXI

CryoEM

Page 24: ISPyB@ESRF · CryoEM@ESRF Achievements CM01 (CryoEM) was inaugurated on 10th of November First users on 24th of November Data was collected and stored in ISPyB from the first experiment

ACKNOWLEDGEMENTS

● Alun Ashton● Karl Levik● Stuart Fisher● Kevin Savage● Daniel Clare

● Jose Maria Carazo● Pablo Conesa● Carlos Oscar Lozano● Roberto Marabini● Jose Maria de la Rosa

● Gregory Effantin

● Michael Hons

● Olof Svensson● Eaazhisai Kandiah● Stephanie Monaco● Christoph Mueller

● Solange Delageniere● Gordon Leonard