[GSAS-II] COD database?

Wed Nov 19 12:30:59 CST 2025

Good question Andrea,

As far as I am aware, no one has created a searchable tabulation of the powder diffraction peaks from the COD database. One could even use GSAS-II to create that tabulation. If someone does that and provides a web interface for searching, I’d certainly consider adding an interface into GSAS-II. I do even have some older open-source search code to volunteer. For right now, the answer to your question is alas, no.

Brian

From: GSAS-II <gsas-ii-bounces at aps.anl.gov> on behalf of Andrea Bianchi via GSAS-II <gsas-ii at aps.anl.gov>
Date: Wednesday, November 19, 2025 at 12:20 PM
To: gsas-ii at mailman.aps.anl.gov <gsas-ii at aps.anl.gov>
Subject: [GSAS-II] COD database?

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Hello,

I was wondering if there is there an easy way to carry out a peak search in the COD database

https://urldefense.us/v3/__https://www.crystallography.net/cod/__;!!G_uCfscf7eWS!f7I5-wU1-VwXjxdMfS11FddNtYUPfVpyC3pziLcirX9gufeHAuRQbhY0bG9J2mfLwHq0PgC8c18XdDA$ <https://urldefense.us/v3/__https://gcc02.safelinks.protection.outlook.com/?url=https*3A*2F*2Furldefense.us*2Fv3*2F__https*3A*2F*2Fwww.crystallography.net*2Fcod*2F__*3B!!G_uCfscf7eWS!Y6xGhPb21O681Iah5VK-yHFsgjr9n_hkcDirICwtGNi6GdrtwyXD8rhs1XCrkJ99KnqbFknVR9TBPGA_sZnSbrZFTe4IGafL*24&data=05*7C02*7Cgsas-ii*40aps.anl.gov*7C0f13e94367f0418be29d08de2799c972*7C0cfca18525f749e38ae7704d5326e285*7C0*7C0*7C638991738614799250*7CUnknown*7CTWFpbGZsb3d8eyJFbXB0eU1hcGkiOnRydWUsIlYiOiIwLjAuMDAwMCIsIlAiOiJXaW4zMiIsIkFOIjoiTWFpbCIsIldUIjoyfQ*3D*3D*7C0*7C*7C*7C&sdata=mylABKSefYoADoD*2BzIQM2Yf8b9chK3mfo*2F*2BdmKg1tNw*3D&reserved=0__;JSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSUlJSU!!G_uCfscf7eWS!f7I5-wU1-VwXjxdMfS11FddNtYUPfVpyC3pziLcirX9gufeHAuRQbhY0bG9J2mfLwHq0PgC8gavPbQA$ >

directly from GSAS?

Thanks,

Andrea

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