Inst Parameters

2005-07-26 Thread john o callaghan
Rietveld List,
I have asked this before, but I'm asking again just by the off chance that I 
could find a solution. Can anyone help me with respect to an instrument 
parameter file that I can use with some neutron scattering data from a pulsed 
neutron source?

Then problem is that I am unable to build such a file from scratch due to lack 
of experience and what not. Can anyone point me in the right direction??

With Regards,
John O Callaghan



Re: Inst Parameters

2005-07-26 Thread matteucci
> Dear John,

I think that each instrument should have his own optmized file, due to its
profile function, but if you want to see some parameter files for neutron
powder diffraction from a pulsed source you can find them at

http://www.isis.rl.ac.uk/crystallography/polaris/

Francesco




Martin Crnugelj is out of the office.

2005-07-26 Thread martin . crnugelj
I will be out of the office starting  07/25/2005 and will not return until
08/08/2005.

I will respond to your message when I return.




Inst Parameters

2005-07-26 Thread Von Dreele, Robert B.
John,
As was said by Francesco, you really must go back to the instrument
responsible for the diffractometer you used to collect the data for that
instrument parameter file. An old example of such a file is
\gsas\example\inst_tof.prm (the instrument doesn't exist any longer),
however iparm files for modern instruments are essentially the same. The
principal difficulty will be in obtaining the proper values for those on
the ICONS (DifC, etc.), ICOFF (incident spectrum) & PRFC (profile
coefficients) records. Only the instrument responsible has those
numbers.
Bob Von Dreele

R.B. Von Dreele
IPNS Division
Argonne National Laboratory
Argonne, IL 60439-4814



-Original Message-
From: john o callaghan [mailto:[EMAIL PROTECTED] 
Sent: Tuesday, July 26, 2005 8:49 AM
To: rietveld_l@ill.fr


Rietveld List,
I have asked this before, but I'm asking again just by the off chance
that I 
could find a solution. Can anyone help me with respect to an instrument 
parameter file that I can use with some neutron scattering data from a
pulsed 
neutron source?

Then problem is that I am unable to build such a file from scratch due
to lack 
of experience and what not. Can anyone point me in the right direction??

With Regards,
John O Callaghan






RIET: Postdoc in Crystallographic Computing at Oxford University

2005-07-26 Thread L. Cranswick

Postdoc in Crystallographic Computing at Oxford University

  UNIVERSITY OF OXFORD, DEPARTMENT OF CHEMISTRY
   CHEMICAL CRYSTALLOGRAPHY LABORATORY
 http://www.xtl.ox.ac.uk/
  
  POSTDOCTORAL RESEARCH ASSISTANT IN CRYSTALLOGRAPHIC COMPUTING 


Applications are invited for a Postdoctoral Research Assistant to work
on a crystallographic software project. This PDRA position is a joint
collaboration between the Universities of Oxford and Durham and in the
first instance is funded by the EPSRC for one year. The work aims to
implement a new set of algorithms in object oriented, open source code
that will preserve the immense knowledge-base that exists in the field
of crystallography, and to provide a platform for future developments. 

The post holder must have experience in designing and writing computer
programs to good modern standards, and knowledge and proven practical
skills in the areas of crystal structure analysis using X-rays or
neutrons. Experience with powders and extended lattice (inorganic)
materials would be an advantage.


BRIEF JOB DESCRIPTION  
The post holder must be able to make a significant contribution to the
following tasks in adding modules to the software system:

  - Preparing clear plain-text descriptions of the crystallographic 
  function and use of each module.
  - Prepare clear and complete descriptions of the mathematics involved 
  in the module, including issues of precision, latent singularities, 
   and limits of applicability.
  - Prepare a clear specification of how the module will interface to 
other modules and the underlying database.
  - Prepare a clear description of how the user will interact with the 
module.
  - Prepare suitable test data and results and if possible validate 
them with existing programs.
  - Write code complying to both ANSI standards and the style adopted 
for the whole project.
  - Validate the new code.
  - Prepare end-user documentation.


It is planned to appoint on the Research Grade 2 II scale for University
Research staff, salary (£27,116 - £29,128), depending upon experience.
However we would be prepared to consider applicants who are not yet
seasoned specialists, who would like some mentored time to develop in
the post in which case the appointment would be made on the RS1A Grade
scale.

Further details are available from the Administrator, Inorganic
Chemistry Laboratory, South Parks Road, Oxford OX1 3QR (quoting ref
DH05009/DJW), or by email from [EMAIL PROTECTED] and these must
be obtained before application is made. Informal enquiries may be made
to Dr David Watkin (e-mail: [EMAIL PROTECTED]). Applications by
e-mail are not acceptable. The closing date is 30 September 2005.

--
--

-- 
---
Lachlan M. D. Cranswick
Contact outside working hours /
  Coordonnees en dehors des heures de travail:
NEW E-mail / courriel: lc *at* bluehaze.com.au Home Tel: (613) 584-4226
Mobile/Cell: 613 401 3433   WWW: http://lachlan.bluehaze.com.au/
P.O. Box 2057, Deep River, Ontario, Canada, K0J 1P0

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