Flack parameter reporting enquiry

[Spek, A.L. (Ton)]

All,

This is indeed a longstanding issue.
With SHELXL, the CIF dataname 'Flack' is 'overloaded' with its real source (i.e. refined and applied, or post-refinement and not applied) to be gleaned from text items (e.g. the embedded .ins file and 'details' text)

I think that the Rogers parameter can be retired.

Best wishes

Ton

Prof. dr. A.L.Spek (Emeritus)
Utrecht University
Bijvoet Center for Biomolecular Research
Padualaan 8
3584 CH, Utrecht
The Netherlands

E-mail:a.l.spek at uu.nl
Tel: (+31) 653562400

http://www.platonsoft.nl/spek/             (Personal WEBsite)
http://www.platonsoft.nl/platon/           (PLATON info)
http://www.platonsoft.nl/xraysoft/        (Download Directory)
http://www.cryst.chem.uu.nl/spek/       (Personal WEBsite)


________________________________
Van: coreDMG <coredmg-bounces at iucr.org> namens Brian McMahon via coreDMG <coredmg at iucr.org>
Verzonden: dinsdag 21 juli 2020 13:28
Aan: Mike Hoyland via coreDMG <coredmg at iucr.org>
CC: Brian McMahon <bm at iucr.org>
Onderwerp: Re: Flack parameter reporting enquiry

Mike

Thanks for sending this - my "to do" list isn't getting anywhere very
fast at the moment.

Brian

On 21/07/2020 12:00, Mike Hoyland via coreDMG wrote:
> Dear All,
>
> We have had the following correspondence regarding the reporting of Flack
> parameters which we thought would be good to be discussed in this forum. It
> was sent to us by David Watkin.
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