[cctbxbb] Structure factor calculation weirdness

Graeme.Winter at diamond.ac.uk Graeme.Winter at diamond.ac.uk
Mon Dec 10 01:43:53 PST 2012

Hi Jon,

Thanks - this is precisely why non-zero values were worrying (though I admit at the moment I picked those reflections at random, but the issue reported to me was that absent reflections were not |F| = 0.) This has all been properly cleared up now and I was happy to see the detailed docstrings appear in the subversion-version of the code.

Best wishes all,


-----Original Message-----
From: cctbxbb-bounces at phenix-online.org [mailto:cctbxbb-bounces at phenix-online.org] On Behalf Of Jon Wright
Sent: 07 December 2012 21:59
To: cctbxbb at phenix-online.org
Subject: Re: [cctbxbb] Structure factor calculation weirdness

On 07/12/2012 16:36, Graeme.Winter at diamond.ac.uk wrote:
> Hi Folks,

> spgroup = 'Fd-3m'

> Chopped out only 001, 010, 100 from this...

Since those are all systematic absences, what are their magnitudes in comparsion to the 111 which should be present?

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