BSI wiki

>setccp4
>ccp4i

Create a project with the ccp4 subfolder

Run Aimless

• If necessary choose Customise symmetry determination>Choose a previous solution to force the spacegroup
• If necessary choose Ensure unique data & add FreeR column…>Copy FreeR from another MTZ to import the FreeR flags from a reference MTZ file
• Specify the Project, Crystal and Dataset names
• Change the output name to drop_scaled1.mtz
• Make a second run in which you specify the high-resolution cut with Exclude data resolution […] greater than [ ] Angstroms and name the ouptput file drop_res_scaled1.mtz

Run Sftools

• Use sftools to delete columns and remove the 13 unnecessary columns > drop_res_scaled1_6col.mtz
• Use sftools to delete reflections and Delete selected reflections: where Selection includes reflections with data missing in specificed column (F_drop) > drop_res_scaled1_6col_cleaned.mtz