CrysAlisPro

Download the raw images - see Retrieving Data

1. Open CrysAlisPro (version 38.41 or later) and select any random project from the list

2. Click on the button, type dectris import in the box and press Enter
In the window that pops up, browse to the dataset and select the first image
Then set the file format: run digits should be 2, the separator is an underscore and frame digits should be 5
Check the last image is set correctly, then click on Save run file

3. Check that the values in the pop up window match those for the dataset and press OK

4. Once the program has finished setting up the run file, select this experiment (should be highlighted at the bottom of the list) and click on Open selected to open the dataset in a new instance of CrysAlis

5. Click OK in the pop-up error box to set the basic settings

6. In the window that opens up, make sure Small Molecule is checked and then click on Edit options
Check Single wavelength data red in the new window
Click OK in both windows

Note: For newer versions (42.49 onwards) there is an additional pop-up window which queries the min_lattice setting – just press OK here and continue as above.

7. Click on CMD and then Options RED in the bottom left of this window and edit values in the Instrument Model I and Beamstop tabs
For the beamstop, check the box to put the beamstop overlay on and check the option "right" for the beam stop support orientation

Click OK in this window and then close the CMD window

8. Click forward through an image using  along the bottom row and you should see the changes take effect
Edit the x and y beamstop offsets if required

Notes:
 -    Do make sure you edit the instrument model correctly, all 3 values need updating, otherwise you won’t get nice lattices.
 -    The general advice is to work up your best-looking dataset first and refine the instrument model parameters on that. Then use this par file (with this instrument model) on the less good datasets.
 -    NOTE: It may be necessary to use CrysAlis Pro index the data, but better processing results are often obtained by using this information and reprocessing with DIALS.