Hi Sam,
Yes, autobuild will read the test set (freeR flags) and use these free R flags and write them out to overall_best_refine_data.mtz. So yes, the R-values are directly comparable if you refine against the input experimental data or overall_best_refine_data.mtz.
As Luca mentioned, you could verify this with mtzdump or with:
phenix.mtz.dump -c original_data.mtz > original_data.txt
phenix.mtz.dump -c overall_best_refine_data.mtz > overall_best_refine_data.txt
All the best,
Tom T
Dear all
May I enquire a simple question about AutoBuild - I input an experimental data (ccp4 mtz from Aimless) and a model from Phaser-MR to AutoBuild hoping that some mis-fit flexible regions could be re-build. May I know if the output mtz
overall_best_refine_data.mtz contains the same FreeR flags as in the input, or would AutoBuild generate a new set of FreeR? Or in other words, are the R values directly comparable if I refine against the input experimental data mtz or the overall_best_refine_data.mtz?
Thanks!
Cheers
Sam Tang
Biochemistry Programme, School of Life Sciences, CUHK