BSI wiki

>setccp4
>ccp4i

Create a project in the /ccp4 subfolder

Run Aimless

• If XDS was used before, choose the Option to skip scaling & just merge to prevent scaling a second time
• If there are several datasets/scans for the same crystal scale and merge all sets in 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 output file drop_res_scaled1.mtz

Run Sftools

• Use sftools to delete columns and remove the 13 unnecessary columns and name the output file 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) and name the output file drop_res_scaled1_6col_cleaned.mtz