[GSAS-II] instrument_file_selection

[Toby, Brian H.]

Hi,

The 0.7A synchrotron default parameter set is for an area detector instrument and should be roughly close to what you used.

The ideal for use of GSAS-II is that one fits the instrument broadening terms with a dataset collected with a minimal peak-broadening standard (using the instrument in the configuration you used). Then one varies only sample broadening terms (size/microstrain) with “real” samples. It is possible to instead use GSAS-II where the instrument broadening terms are refined to fit a dataset from a sample (this is the traditional way Rietveld is done), but then one should not fit the sample broadening terms.

This tutorial shows how to fit the instrumental terms, starting with peak fitting (which tends to refine with more stability): https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm

Brian

On Sep 1, 2021, at 9:14 AM, Myrsini K. via GSAS-II <gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>> wrote:

Dear all,

I hope this e-mail finds you well.
I am a GSAS-II new user and I would like to address a question.

I had started to practice with X-rays data from DESY synchrotron and I have not the instrument file. So, I was wondering if the ‘synchrotron’ instrument choice at GSAS-II is much different when AREA DETECTOR (cf. image plate detector) is used.

Thank you in advance.

Best regards,
----------------------------------------------------------
KAITATZI Myrsini,
PhD Candidate,
Institute of Electronic Structure and Laser (IESL),
Foundation for Research and Technology - Hellas (FORTH),
100 Nikolaou Plastira str, Vassilika Vouton,
700 13 Heraklion, Crete,
GREECE

Tel   +30 6945084322
Quantum Materials & Magnetism Lab<https://www.iesl.forth.gr/en/research/magnetic-materials>
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