Dear Pavel, thank you for your kind reply.

Yes, some of my students are familiar with using CCTBX and will try now the access the centric_flags method.

However, if you think that it could also be incorporated into phenix.reciprocal_space_arrays, to be used in the upcoming downloaded versions of Phenix, it would be greatly appreciated.

With best regards,

Andre.

Em qua., 21 de dez. de 2022 às 20:03, Pavel Afonine <[email protected]> escreveu:

Hi Andre,

> Is there a way to label centric and acentric reflections in the .mtz
> file and output an additional column, let's say, with values 0
> (acentric) and 1 (centric), similar to R_free flags?
>
> Many thanks for your attention.

I'm not aware of Phenix tool to do this. However, if you use CCTBX then
you can access these flags as as a method of miller array class (called
"centric_flags").

I can help with the script if interested.

Alternatively, I can extend this quite old command line program:
phenix.reciprocal_space_arrays -- it outputs lots of this kind of
technical arrays but just not the centric/acentric flag, but I can add it.

Pavel