Sca file crystallography

If you have more than one copy of the molecule in the asymmetric unit you may use non-crystallographic symmetry (NCS) for a phase improvement

HKL-3000 includes a subpage for automatically detecting NCS and calculating the appropriate operator(s), accessed by the NCS tab (see below)

If you are using XSCALE to scale data from multiple crystals, add the keyword MERGE=FALSE to the input script

HKL2000: in the Macros tab, in the Scaling section type "no merge original index", then re-run scaling (with a different file name than you used for merged data)

Currently, the best-supported format in Phenix and other macromolecular crystallography software is MTZ format, which was developed as part of the CCP4 project

These are binary files (not human-readable), which makes them especially compact and fast