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Increasing the structure determination success rate

Increasing the structure determination success rate. 1 Screening infrastructure a) offline targeting and unattended execution b) Room temperature tray screening 2 Crystal triage technology a) Simulate the experiment to discover minimum required data quality

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Increasing the structure determination success rate

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  1. Increasing the structure determination success rate • 1 Screening infrastructure • a) offline targeting and unattended execution • b) Room temperature tray screening • 2 Crystal triage technology • a) Simulate the experiment to discover minimum required data quality • b) Geometric strategy for unpredictable damage

  2. CHL conveyor

  3. Pepper Screening

  4. Plate goniometers

  5. in-situ screening: A11-1 target 1

  6. Simulated diffraction image simulated real

  7. Exposure time CC to correct model exposure time (s)

  8. Crystal Size CC to correct model crystal size (um)

  9. Shutter Jitter CC to correct model rms timing error (% exposure)

  10. Site Occupancy CC to correct model Gd site occupancy

  11. Site Decay CC to correct model Gd site half-dose (MGy)

  12. Detective Quantum Efficiency CC to correct model fraction of photons “detected”

  13. Read-out noise normalized peak height Mar 325HE Q315r Q315 Pilatus 0.1 1 10 100 103 104 105 106 effective redundancy

  14. same total dose with high and low redundancy

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