Re: [ccp4bb] Strange pattern of missing reflections

[Graeme Winter]

Easiest thing to do is plot the detx and dety positions and see if the missing 
ones form a nice pattern of tile joins. Two pounds gets you one they will. 

If you have a multi axis gonio two sweeps good. If not deliberately misaligned 
xtal and 180 or more degrees a good thing. 

In real life the problem is rarely a big one. 

Best wishes Graeme 

> On 18 Feb 2016, at 18:30, Phil Evans  wrote:
> 
> Is it just the Pilatus tile boundaries?
> 
>> On 18 Feb 2016, at 17:55, Kevin Jude  wrote:
>> 
>> Dear all-
>> I am working with a data set that is 96% complete that I have assigned to 
>> space group C2 with cell dimensions 155.87 59.01 123.32, β=110.72°. I 
>> noticed a strange pattern of missing reflections in the data (the h0l slice 
>> in 2D and a 3D view approximately along 211 are in a dropbox at 
>> http://preview.tinyurl.com/zvqlex7).
>> 
>> The missing data are in elliptical shells (for k=0, minor axes 10.9 Å, 5.45 
>> Å, 3.64 Å, major axes 8.44 Å, 4.27 Å, and unmeasured). I can find other 
>> patterns, eg along the surface of a cylinder approximately around the 
>> (2,1,1) projection. The dataset was collected in a single wedge on a Pilatus 
>> detector. Does anyone have thoughts about what might give rise to these 
>> apparently systematically missing reflections?
>> 
>> Best wishes
>> Kevin Jude

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Re: [ccp4bb] strange pattern

[Ethan Merritt]

On Thursday, 02 April 2015 02:21:48 AM Gert Vriend wrote:
 The following article was rejected by 'our' journal...
 
 http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1097-0134/homepage/april_fools__day_special_papers.htm
  
 http://onlinelibrary.wiley.com/journal/10.1002/%28ISSN%291097-0134/homepage/april_fools__day_special_papers.htm

A most excellent contribution!

Do you have a refmac-compatible *.cif dictionary describing
the tetrahedral sulfur center as in 3d7s (Figure 3D)?
I would hate to miss one of these should I suspect the
opportunity for novel quantum chemistry in a structure 
being refined.

Ethan

 
 Greetings
 Gert

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[ccp4bb] strange pattern

[Gert Vriend]

The following article was rejected by 'our' journal...

http://onlinelibrary.wiley.com/journal/10.1002/(ISSN)1097-0134/homepage/april_fools__day_special_papers.htm 
http://onlinelibrary.wiley.com/journal/10.1002/%28ISSN%291097-0134/homepage/april_fools__day_special_papers.htm


Greetings
Gert