Dear XDS users,
a heads-up: don't use filetype CCP4 together with GENERATE_FRACTION_OF_TEST_REFLECTIONS= because the output file will _not_ contain the free-flags, and the conversion to MTZ will then skip every second reflection, i.e. the resulting MTZ will be garbage.
No other filetype is affected, i.e. CCP4_F or CCP4_I or CCP4_I+F work as they should. Filetype CCP4 _without_ free-flag generation is also ok.
Thanks to Michael Sawaya for reporting this!
sorry,
Kay
|