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Peter Zwart Berkeley Center for Structural Biology Physical Biosciences Division, LBL
Screening of crystals is a typical task that can be (semi) automated, especially when a robot is used. The benefits of automated screening primarily lie in
Efficiency in screening Reduction of human errors in repetitive tasks Tracking the results
DCS already had/has quite a number of sophisticated tools that allow HTP screening and collection
It however lacks fully automated analyses of images and has other drawbacks
The WebIce server allows an automated characterization of X-ray images via an analyses done with the Labelit suite (indexing, automated image quality, point group assignment)
As part of a major BOS upgrade, Nick Sauter, Yun Zhou, John Taylor, Paul Adams and myself have been working on implementing automated screening and data collection facilities in BOS.
Key ingredients:
A data base that holds user provided sample information (which crystals in which puck in which position) An external server providing data analyses
Analyze data
WebIce, manual
(auto) center
All done?
Take snapshots ?
Collect / Continue
Unmount pin
XREC is used for automated crystal centering It works well on 5.0.1 5.0.3 has some lighting issues that need to be addressed
An iterative approach is used and is relatively robust Automated centering usually takes less than 90 seconds
Manual centering is still faster though
From my sofa
From my sofa
WebIce
WebIce allows you to view
the snapshots the results of the analyses
Issues
Spread sheet uniformity / standards