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

Sander Roobol,Roberto Felici,Jakub Drnec,Willem Onderwaater,Joost Frenken

doi:10.1107/s1600576715009607

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.

Highlights

Over the past decade there have been several developments that have radically changed data acquisition in X-ray diffraction experiments
The primary development is that most point detectors have been replaced by two-dimensional detectors, such as the MAXIPIX detector (Ponchut et al, 2011), that collect spatially resolved information from a region in reciprocal space in a single shot
BINoculars aims to fill this gap by taking a novel approach to data reduction in surface X-ray diffraction (SXRD) experiments

Summary

Introduction

Over the past decade there have been several developments that have radically changed data acquisition in X-ray diffraction experiments. BINoculars takes a series of images from a two-dimensional detector, calculates for each pixel the corresponding reciprocal-lattice coordinates ðhklÞ, and reduces the image collection to a single data set by averaging the intensities of pixels taken at identical ðhklÞ positions (within a user-specified resolution). BINoculars can be seen as an N-dimensional generalization of PyFAI (Kieffer & Karkoulis, 2013), xrayutilities (Kriegner et al, 2013) and FEP3D (Gaudet et al, 2013), optimized for (but not limited to) surface X-ray diffraction

Implementation

Demonstration

Conclusion