For potential validation and truncation analysis, especially regarding the CC*/CCWORK/CCFREE comparison https://www.phenix-online.org/documentation/reference/unmerged_data.html

For each dataset

In \\labo4\projets\cava\PRMTs

• create a \PRMTx_ligand_drop_PDBID\ directory
• create \validation and \datacol sub-directories

• all validation files are placed in the \validation sub-directory

• the following files are gathered in the \datacol sub-directory
  • necessary files for processing (XDS.INP for XDS, …)
  • log files from processing (CORRECT.LP for XDS, scale.log for HKL)
  • generated files from processing (XDS_ASCII.HKL for XDS, output.sca for HKL)
  • scaled mtz file with all data and no truncation and the corresponding log file
  • cleaned mtz (truncation, 6 columns only, Rfree flag from reference set) and the corresponding log file
  • necessary files for refinement (.cif, .tls, .eff …)
  • last refinement files (model pdb file and mtz map file)