The origins of CrysAlisPro date back 20 years. At the ‘Institut de cristallographie’ in Lausanne (Switzerland) under the guidance of Prof. Gervais Chapuis we studied 1 and 2D incommensurate materials. As part of my PhD we developed a CCD detector and the software suited for incommensurate research.
Since that time CrysAlisPro underwent drastic changes, but the underlying data collection and data reduction engine is well suited for materials with up to 3 q-vectors.
The talk will describe all tools required for a successful experimentation and data reduction/analysis for incommensurate and quasi-crystals. It will explain the experimentation and data reduction workflow, comment on strategy, unit cell finding and optimization (reciprocal space visualization using EwaldPro), describe the data reduction and post correction issues, explain the binding to external programs (especially Jana2006). Furthermore the generation of ‘Precession’ reconstructions will be explained.
Examples will be taken from my personal research and our application work at Rigaku Oxford Diffraction.