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Macromolecular Crystallography
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In This Section

Sub Navigation
  • I04 Manual
    • Understanding the I04 Beam
    • Redhat 7 user environment
    • Introduction to Eiger2 X Detectors for MX at Diamond
    • Preparing for Beamtime
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      • Navigating in the GUI
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      • Load a Sample
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      • Centring Methods
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Instruments by Science Group

Macromolecular
Crystallography
Soft Condensed
Matter
Imaging and
Microscopy
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Materials
Structures and
Surfaces
Crystallography
Spectroscopy

I04 Contact

Beamline Phone Number:
+44 (0) 1235 778679
 

Principal Beamline Scientist:
Ralf Flaig
 
Tel: +44 (0) 1235 778412 
E-mail: Ralf.Flaig@diamond.ac.uk

More

Science Group Leader

Dave Hall

Email: david.hall@diamond.ac.uk
Tel: +44 (0) 1235 778926

I04 Microfocus MX

Status: Operational

Beamsize: 10 µm x 5 µm - 110 µm x 100 µm
Detector: Eiger2 XE 16M
Wavelength: 0.69 - 2.07 Å

Microfocus Multi-axis Goniometry Humidity Control Macromolecular Crystallography MAD: Multi Wavelength Anomalous Diffraction Remote Access X-ray Diffraction
  1. Instruments
  2. MX
  3. I04
  4. I04 Manual
  5. Data Collection Software
  6. X-ray Centring

X-ray Centring

Using X-ray grid scans to automatically centre your sample

You can use grid scans to automatically centre your sample. This method is very successful with well frozen (ice-free) crystals mounted in clean loops.

To enable X-ray Centring, please open the 'User Options' and click the last option labelled 'HT X-Ray Centring (5 min/sample)' before you load the (first) sample you want to centre. Additionally, the second option 'Use OAV Centring after Keyence Centring' needs to be ticked, which is the default.

 

Please specify your data collection parameters in the data collection table, as the data collection currently starts immediately after X-ray Centring.

How it works

If you now load your sample, the routine puts the loop at the cross-hairs (Keyence Centring), performs the OAV centring and then automatically carries out a two-dimensional grid scan. Afterwards, a finer, linear grid scan is performed perpendicularly to the two-dimensional one at the position where the crystal diffracts best. Then, the data collection is automatically started. The whole process from loading the sample to the end of a 360 degree data collection with standard parameters takes approximately 3.5 min. 

Automated Data Collection

X-ray Centring can be used to automatically run a data collection for hours. To do this, please enable X-ray Centring in the User Options as explained above. Load all samples to be measured in this mode into the data collection table by double-clicking in the field below the 'Sample ID' column and selecting the first and last sample whilst holding the shift key and confirming with 'OK':
 
 
 
 
 
Please specify the data collection parameters for all samples you want to measure and mark the ones you want to measure (if you don't want to measure all in automated mode).  Clicking on 'Queue all' or 'Queue selected' will generate a command queue window to your right, where you can start, pause or stop the automated data collection:
 
 
 
 
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