BINoculars: data reduction and analysis software for two-dimensional detectors in surface X-ray diffraction

Abstract

BINoculars is a tool for data reduction and analysis of large sets of surface diffraction data that have been acquired with a two-dimensional X-ray detector. The intensity of each pixel of a two-dimensional detector is projected onto a three-dimensional grid in reciprocal-lattice coordinates using a binning algorithm. This allows for fast acquisition and processing of high-resolution data sets and results in a significant reduction of the size of the data set. The subsequent analysis then proceeds in reciprocal space. It has evolved from the specific needs of the ID03 beamline at the ESRF, but it has a modular design and can be easily adjusted and extended to work with data from other beamlines or from other measurement techniques. This paper covers the design and the underlying methods employed in this software package and explains how BINoculars can be used to improve the workflow of surface X-ray diffraction measurements and analysis.

Controlling the growth of Bi(110) and Bi(111) films on an insulating substrate

“…The surface X-ray diffraction (SXRD) experiments were performed using a monochromatic synchrotron X-ray beam at 24 keV and a MAXIPIX detector [47] with 512×512 pixels. For data integration and the creation of reciprocal space maps from the 2D detector frames we used the BINoculars software package [48]. All reciprocal space positions are given in (h,k,l) measured in reciprocal lattice units (r.l.u.)…”

Regular Network of Misfit Dislocations at the BaZr0.8Y0.2O3−x/NdGaO3 Interface and Its Role in Proton Conductivity

“…A 2 × 2 2D Maxipix detector was used for the experiment. Each pixel of the detector was treated as an independent detector and the diffracted intensity was then projected into the chosen reciprocal space …”

Operando SXRD of E-ALD deposited sulphides ultra-thin films: Crystallite strain and size

“…XRPD patterns were registered every 15 cycles in the range 8-25 • . XRPD data were refined by means of full-profile Rietveld algorithm, using the EXPO2014 software [26]. The removal of the diffuse scattering, introduced by the presence of the water inside the electrochemical cell, has been operated by fitting the background of the signals with polynomials (first order for the l-scans and 18 terms Chebyshev polynomial for the ␦-scans) [27].…”

“…These latter were obtained as Root Mean Square (RMS) of the background. It is worth to notice that the data sets have been projected on the hkl space with a resolution of 0.001 rlu [26,27]. …”