1. Current CRIMS – ISPyB communication status

2. CRIMS, The CRystallization Information Management System
Peter Murphy
Michal Jamroz
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
Crystallization
Imaging (Vis/UV)
Liquid handling
Automated crystal optimization QC
EMBL collaboration
More than
1500 users!
Marquez Team, EMBL Grenoble
Contact:

3. Why is it needed? Current limitations
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
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
Marquez Team, EMBL Grenoble
Contact:

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

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

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

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

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

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

10. Next developments
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.
Marquez Team, EMBL Grenoble
Contact: