[GSAS-II] Inquiry reg setting up the instrument param file

[Thanos Goulas]

Dear GSAS-II community,

I have been working on setting up the instrument parameter file for a Bruker D2 in GSAS-II, using SRM 660 and 640 standards. However, I am encountering issues with peak identification, particularly with peak splitting at higher 2θ angles.

Given this, I was wondering if stripping the ka2 component is an absolutely necessary step for this process?

When I limit my 2θ range to 20–80°, I manage to obtain reasonable U, V, W, X, and Y parameters. However, these parameters go spammy when I attempt to refine them over a broader range, such as 5–140° (to get the D2's full profile)

Finally, shouldn't I be getting the same parameters regardless of the standard I am using? LaB6 and Si produce completely different params.

I would greatly appreciate your thoughts or suggestions on this.

Looking forward to your insights.

Thanos

Dr Thanos Goulas, BEng MSc PhD

Pronouns:<https://urldefense.us/v3/__https://www.mypronouns.org/__;!!G_uCfscf7eWS!Yq11gnqmg3M9-lh3tSzSV6QYuF1RAU_nfVcoSVmiiLRLWZUSOovRxbxHMf22yQ8Xcgau-y3QZLQuqTD66ep4j6E$ > he / him / his

School of Aeronautical, Automotive, Chemical and Materials Engineering

Department of Materials

Loughborough University, Loughborough, Leicestershire, LE11 3TU, UK

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