Automatic indexing of two-dimensional patterns in reciprocal space

2021 ◽  
Vol 104 (19) ◽  
Author(s):  
Josef Simbrunner ◽  
Jari Domke ◽  
Falko Sojka ◽  
Daniel Knez ◽  
Roland Resel ◽  
...  
Keyword(s):  
Reciprocal Space ◽  
Two Dimensional ◽  
Automatic Indexing

scholarly journals Integration techniques for surface X-ray diffraction data obtained with a two-dimensional detector

2014 ◽  
Vol 47 (1) ◽  
pp. 365-377 ◽  
Author(s):  
Jakub Drnec ◽  
Tao Zhou ◽  
Stelian Pintea ◽  
Willem Onderwaater ◽  
Elias Vlieg ◽  
...  
Keyword(s):  
Reciprocal Space ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Integration Methods ◽  
X Ray ◽  
Structure Factors ◽  
Integration Techniques ◽  
Intensity Map ◽  
Integrated Intensities ◽  
Surface Diffraction

This article proposes two integration methods to determine the structure factors along a surface diffraction rod measured with a two-dimensional detector. The first method applies the classic way of calculating integrated intensities in angular space. This is adapted to work efficiently with two-dimensional data. The second method is based on integration in reciprocal space. An intensity map is created by converting the detected intensity pixel by pixel to the reciprocal space. The integration is then performed directly on this map. A theoretical framework, as well as a comparison between the two integration methods, is provided.

Strain characterization of Ge 1−x Si x and heavily B-doped Ge layers on Ge(001) by two-dimensional reciprocal space mapping

1996 ◽  
Vol 167 (3-4) ◽  
pp. 495-501 ◽  
Author(s):  
H.H. Radamson ◽  
K.B. Joelsson ◽  
W.-X. Ni ◽  
J. Birch ◽  
J.-E. Sundgren ◽  
...  
Keyword(s):  
Space Mapping ◽  
Reciprocal Space ◽  
Two Dimensional ◽  
Reciprocal Space Mapping ◽  
Strain Characterization

scholarly journals Structure-factor amplitude reconstruction from serial femtosecond crystallography of two-dimensional membrane-protein crystals

IUCrJ ◽  
2019 ◽  
Vol 6 (1) ◽  
pp. 34-45 ◽  
Author(s):  
Cecilia M. Casadei ◽  
Karol Nass ◽  
Anton Barty ◽  
Mark S. Hunter ◽  
Celestino Padeste ◽  
...  
Keyword(s):  
Membrane Protein ◽  
Diffraction Data ◽  
Structure Factor ◽  
Large Scale ◽  
Reciprocal Space ◽  
Protein Crystals ◽  
Two Dimensional ◽  
Data Set ◽  
Redundant Data ◽  
Serial Femtosecond Crystallography

Serial femtosecond crystallography of two-dimensional membrane-protein crystals at X-ray free-electron lasers has the potential to address the dynamics of functionally relevant large-scale motions, which can be sterically hindered in three-dimensional crystals and suppressed in cryocooled samples. In previous work, diffraction data limited to a two-dimensional reciprocal-space slice were evaluated and it was demonstrated that the low intensity of the diffraction signal can be overcome by collecting highly redundant data, thus enhancing the achievable resolution. Here, the application of a newly developed method to analyze diffraction data covering three reciprocal-space dimensions, extracting the reciprocal-space map of the structure-factor amplitudes, is presented. Despite the low resolution and completeness of the data set, it is shown by molecular replacement that the reconstructed amplitudes carry meaningful structural information. Therefore, it appears that these intrinsic limitations in resolution and completeness from two-dimensional crystal diffraction may be overcome by collecting highly redundant data along the three reciprocal-space axes, thus allowing the measurement of large-scale dynamics in pump–probe experiments.

New attempt to combine scanning electron microscopy and small-angle scattering in reciprocal space

2019 ◽  
Vol 52 (4) ◽  
pp. 783-790 ◽  
Author(s):  
Satoshi Koizumi ◽  
Satoru Ueda ◽  
Yukihiro Nishikawa ◽  
Takeshi Terao ◽  
Norio Kubo
Keyword(s):  
Electron Emission ◽  
Small Angle ◽  
Secondary Electron ◽  
Scattering Amplitude ◽  
Secondary Electron Emission ◽  
Small Angle Scattering ◽  
Reciprocal Space ◽  
Two Dimensional ◽  
Angle Scattering ◽  
Scanning Electron

An attempt has been made to combine small-angle scattering of X-rays or neutrons with scanning electron microscopy in reciprocal space, in order to establish a structural analysis method covering a wide range of sizes from micro- to macro-scales. A system with a binary contrast, in which scattering objects with a homogeneous density are dispersed in vacuum (or air), is considered. A topological surface image, detected by secondary electron emission, is converted by means of a Fourier transform into a two-dimensional scattering amplitude in reciprocal space. The method was first tested by studying a dilute system of monodisperse SiO2 particles, with respect to calibrations for brightness inversion, noise reduction and two-dimensional Fourier transform, to obtain a scattering amplitude that agrees well with the analytical amplitude for a spherical particle. Secondly, the microstructure of a carbon-supported Pt catalyst for polymer electrolyte fuel cell applications was examined with the combined method, covering length scales from 10 µm down to nanometres. After two-dimensional Fourier transformation, the secondary electron emission images with low magnification are able to overcome the limitation of the minimum wavenumber (q min) detectable by ultra-small-angle scattering.

scholarly journals "Development of ""Reciprocal Viewer and Analyzer"" for Neutron C-2DPSD"

2014 ◽  
Vol 70 (a1) ◽  
pp. C687-C687
Author(s):  
Yoshihisa Ishikawa ◽  
Chang-Hee Lee ◽  
Shin-Ae Kim ◽  
Myungkook Moon ◽  
Yukio Noda
Keyword(s):  
Reciprocal Space ◽  
Two Dimensional ◽  
Diffraction Intensity ◽  
Neutron Diffractometer ◽  
Beam Port ◽  
Cross Platform ◽  
Position Sensitive ◽  
Efficient Program ◽  
Integrated Intensities ◽  
Point Detector

"A new single crystal neutron diffractometer by using a curved two-dimensional position sensitive detector (C-2DPSD) has been installed at HANARO-ST3 beam port [1]. Compared with a conventional point detector, a two-dimensional detector has huge reciprocal space information in general. It has advantages to detect superlattice peaks and diffuse scattering etc. without any pre-information. In order to obtain significant diffraction intensity in the reciprocal space, it is essential the efficient program for handling the measuring data directly. In these several years, we have developed the methodology and the program package "Reciprocal Analyzer", based on many experiments by the C-2DPSD, which includes peak search [2], UB matrix determination, and quantitative assessment of the accurate integrated intensities [3]. And to visualize reciprocal space from raw pixel data of the C-2DPSD, the ""Reciprocal Viewer"" has been developed also. These software are coded by C/C++ and Python with OpenGL as a cross-platform GUI. Figures show the graphical interface of Recipocal Analyzer and Viewer. Details of the feature about these software will be introduced at the presentation."

scholarly journals High-resolution three-dimensional reciprocal-space mapping of InAs nanowires

2009 ◽  
Vol 42 (3) ◽  
pp. 369-375 ◽  
Author(s):  
S. O. Mariager ◽  
S. L. Lauridsen ◽  
A. Dohn ◽  
N. Bovet ◽  
C. B. Sørensen ◽  
...  
Keyword(s):  
Cross Sections ◽  
Diffuse Scattering ◽  
Three Dimensional ◽  
Grazing Incidence ◽  
Reciprocal Space ◽  
Two Dimensional ◽  
Pixel Detector ◽  
Reciprocal Space Mapping ◽  
General Terms ◽  
Inas Nanowires

Grazing-incidence X-ray diffraction is combined with a two-dimensional pixel detector to obtain three-dimensional reciprocal-space maps of InAs nanowires grown by molecular beam epitaxy. This rapid data-acquisition technique and the necessary correction factors are described in general terms, as well as for the specific setup used, for which a resolution of ∼2 × 10−3 Å is computed. The three-dimensional data sets are obtained by calculating the reciprocal space coordinates for every pixel in the detected images, and are used to map the diffuse scattering from the nanowires as both two-dimensional reciprocal-space maps and three-dimensional isosurfaces. The InAs nanowires are shown to consist mainly of wurtzite crystal with ac/aratio of 1.641. The diffuse scattering reveals two different facet structures, both resulting in hexagonal cross sections of the nanowires.

Imaging of strain and lattice orientation by quick scanning X-ray microscopy combined with three-dimensional reciprocal space mapping

2014 ◽  
Vol 47 (2) ◽  
pp. 762-769 ◽  
Author(s):  
Gilbert André Chahine ◽  
Marie-Ingrid Richard ◽  
Roberto Arturo Homs-Regojo ◽  
Thu Nhi Tran-Caliste ◽  
Dina Carbone ◽  
...  
Keyword(s):  
Three Dimensional ◽  
Continuous Mapping ◽  
Real Space ◽  
Reciprocal Space ◽  
Data Sets ◽  
Two Dimensional ◽  
Reciprocal Space Mapping ◽  
X Ray ◽  
Study Materials ◽  
User Friendly

Numerous imaging methods have been developed over recent years in order to study materials at the nanoscale. Within this context, scanning X-ray diffraction microscopy has become a routine technique, giving access to structural properties with sub-micrometre resolution. This article presents an optimized technique and an associated software package which have been implemented at the ID01 beamline (ESRF, Grenoble). A structural scanning probe microscope with intriguing imaging qualities is obtained. The technique consists in a two-dimensional quick continuous mapping with sub-micrometre resolution of a sample at a given reciprocal space position. These real space maps are made by continuously moving the sample while recording scattering images with a fast two-dimensional detector for every point along a rocking curve. Five-dimensional data sets are then produced, consisting of millions of detector images. The images are processed by the user-friendly X-ray strain orientation calculation software (XSOCS), which has been developed at ID01 for automatic analysis. It separates tilt and strain and generates two-dimensional maps of these parameters. At spatial resolutions of typically 200–800 nm, this quick imaging technique achieves strain sensitivity below Δa/a= 10−5and a resolution of tilt variations down to 10−3° over a field of view of 100 × 100 µm.

Angle calculations for an area detector on a two-axis arm: application to powder diffraction

2014 ◽  
Vol 47 (5) ◽  
pp. 1769-1771
Author(s):  
P. S. Normile
Keyword(s):  
Diffraction Pattern ◽  
Powder Diffraction ◽  
Azimuthal Angle ◽  
Space Mapping ◽  
Reciprocal Space ◽  
Two Dimensional ◽  
Reciprocal Space Mapping ◽  
Area Detector

A procedure for the reduction (integration) of a two-dimensional powder diffraction pattern registered with an area detector after rotation about two orthogonal diffractometer axes is described. The procedure involves the conversion from pixel coordinates to scattering and azimuthal angle {2θ, ψ} coordinates. The article concludes with a mention of two possible applications of the procedure to studies of reciprocal space mapping with an area detector.

Anisotropic strain in YBa2Cu3O7−δfilms analysed by deconvolution of two-dimensional intensity data

2001 ◽  
Vol 34 (1) ◽  
pp. 13-15
Author(s):  
J. Brötz ◽  
H. Fuess
Keyword(s):  
Superconducting Films ◽  
Reciprocal Space ◽  
Intensity Data ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Diffraction Intensity ◽  
X Ray ◽  
Anisotropic Strain ◽  
Crystalline Substrate ◽  
Instrumental Resolution

The influence of the instrumental resolution on two-dimensional reflection profiles of epitaxic YBa2Cu3O7−δfilms on SrTiO3(001) has been studied in order to investigate the strain in the superconducting films. The X-ray diffraction intensity data were obtained by two-dimensional scans in reciprocal space (q-scan). Since the reflection broadening caused by the apparatus differs for each position in reciprocal space, a highly crystalline substrate was used as a standard. Thus it was possible to measure a standard very close to the YBa2Cu3O7−δreflections in reciprocal space. The two-dimensional deconvolution of reflections by a new computer program revealed an anisotropic strain of the two twinning systems of the film.

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