EXPO&more International Workshop

Crystallographic Software for Powder Diffraction Data

30 September – 3 October 2019

Organized by the Institute of Crystallography (IC) – CNR Bari, Italy

The EXPO&more International Workshop is a four-day software fayre dedicated to the more recently developed versions of the open-source computer programs EXPO, QUALX, OChemDb and RootProf. The authors will expose the theoretical framework of the software, the program workflow, the latest developments and examples of application. The main aim of the workshop is to familiarize participants with the software.

Using diffraction data from polycrystalline materials, EXPO is devoted to crystal structure solution and QUALX to qualitative analysis for identification of the crystalline phase, one or more than one, contained in a compound. OChemDb is a web portal for assisting in the crystal-structure determination process by retrieving information, from a suitably designed database of crystal structures already solved,  on bond distances, bond angles, torsion angles, atom types and space groups. RootProf is an interactive general-purpose tool for fast processing of measurements from in situ, in operando and/or multi-technique experiments.

Hands-on sessions will give participants the opportunity to use personally the packages under the supervision of the authors, as well as to process their own data.



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