Dioptas is a Python-based program for on-the-fly data processing and exploration of two-dimensional X-ray diffraction area detector data. It is specifically designed for the large amount of data collected at XRD beamlines at synchrotrons. Its fast data reduction algorithm and graphical data exploration capabilities make it ideal for online data processing during XRD experiments and batch post-processing of large numbers of images.
Dioptas is written with interactivity and speed in mind while still being as versatile as possible. It employs an algorithm for calibration of any possible detector geometry, features easy-to-use masking tools, and offers very fast data exploration and phase analysis capabilities. The tunable calibration procedure enables the calibration of even the most complex geometries, including very large detector tilts, the primary beam being outside of the image and very spotty diffraction pattern of the calibrant. The main part of the software is the opportunity to interactively explore the 2d image and integrated pattern at the same time. The very fast integration algorithm (around 0.1s for an 2048px X 2048px image), a reliable tunable automatic background subtraction algorithm and the possibility to display phase lines make it a viable tool for realtime processing online at the beamline. Thus, enabling very fast decision making during the course of the experiment.
Dioptas is mainly distributed via an open-source repository at http://github.com/Dioptas/Dioptas. However, since some of the required packages can be hard to install on some operating systems by non-expert end-users, we also provide executable packages which can be downloaded by using the link below. Dioptas is cross-platform compatible and has been tested on Windows 7, Windows 8, 10, Mac OS X and Linux Debian systems.
Dioptas has a very fast-growing user base and is currently employed for online data processing and post experiment data analysis at CARS(Sectors 13–15, APS), HPCAT (Sector 16, APS), ID27 (ESRF), ID9 (ESRF), ID31 (ESRF) and ECB P02.2 (Petra III). Furthermore, non-high pressure beamlines and in-house laboratories are starting to adapt it.
A paper about Dioptas has been published in High Pressure Research:
- Prescher, C., Prakapenka, V.B., 2015. DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration. High Press. Res. 35:3, 223–230. link
In case you use Dioptas for anything publication relevant please cite this paper.