Re: [ccp4bb] looking for test data

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: looking for test data
From: "Fred {- dot -} Vellieux" vellieux {- at -} IBS {- dot -} FR
Date: 2007-07-09

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Subject: Re: Spam: Spam: looking for test data
From: Serge Cohen s {- dot -} cohen {- at -} NKI {- dot -} NL
Date: 2007-07-09

Subject: Re: looking for test data
From: "Winter, G (Graeme)" g {- dot -} winter {- at -} DL {- dot -} AC {- dot -} UK
Date: 2007-07-09

Hi Fred,

Were I you I would take a look at the archive from the JCSG:

http://www.jcsg.org

Most of the structures are around 50% solvent but I would guess that
there are a few which are much higher... I am sure I have come across
one or two... The advantage of this source is that almost all of the
data you could ask for is in there.

Regards,

Graeme

-----Original Message-----
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of
Fred. Vellieux
Sent: 09 July 2007 14:53
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] looking for test data

Dear CCP4BB subscribers,

I am looking for some data to run some tests of methods.

I am interested in the treatment of solvent regions, first during
structure solution by experimental methods (MIRAS, MIR, MAD, SIRAS etc).

For these tests, I need to access experimental data (Fobs, experimental
phases before any density modification, figures of merit) for structures
that contain lots of solvent.

By lots I mean higher than ca. 70% solvent: the tests I intend to run
must be conclusive that the method indeed works. I also need to be told
how much solvent there is in the structure. The structure must be solved
(so that there are Fcalcs and Phicalcs corresponding to the "TRUTH").

Any help would be appreciated. If there is any publication resulting
from these tests, then contributors will be rewarded by having a
citation and being thanked in the acknowledgements section. I cannot
guarantee at this stage that there will be a publication however!

Thank you all in advance,

Fred.

--

Fred. Vellieux, esq.

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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: looking for test data
From: "Fred {- dot -} Vellieux" vellieux {- at -} IBS {- dot -} FR
Date: 2007-07-09

Next message:
Subject: Re: Spam: Spam: looking for test data
From: Serge Cohen s {- dot -} cohen {- at -} NKI {- dot -} NL
Date: 2007-07-09