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![[Figure 2]](vb5075fig2mag.jpg)
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Figure 2
(a) A DIOPTAS window screenshot with (b) an overlay of the Batch View widget. The interface of the widget will be very familiar to the high-pressure community using DIOPTAS. The widget functionality supports various features, including integration of a data set, calculation and subtraction of the background for 1D patterns, visualization of different phases in the form of vertical lines for the purpose of phase identification, and image export for publication purposes. The 2D diffraction pattern in panel (b) shows water and aluminium powder loaded into a DAC with an aperture of approximately 64° (Boehler–Almax diamonds). The wavelength of the incident radiation was 0.2900 Å. The red spots indicate the Bragg reflections of the diamond anvils. The heatmap plot in panel (b) is generated by the code and illustrates the full data set, collected using a PerkinElmer XRD 1621, of a slow dynamic compression experiment conducted using a membrane DAC. There is a clear appearance of new lines upon compression, indicating the formation of ice VI (visible for a 2θ range of 6–7.5° and frame numbers 10–16) which transforms later to ice VII. The highest pressure indicated by the aluminium powder was 20.2 (2) GPa (Holian, 1986  ). The horizontal green line indicates the frame with the highest pressure. Vertical ticks above the heatmap indicate signal positions for the ice VII (red) and aluminium (white) phase reflections, respectively. Additional information about the DIOPTAS software and the new code's capabilities can be found in Appendix C. The screenshot corresponds to the early development version of DIOPTAS, Version 0.5.3. |
![[Figure 2]](vb5075fig2.jpg)
 | JOURNAL OF APPLIED CRYSTALLOGRAPHY |
ISSN: 1600-5767
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