Matrix-free integration of image-plate diffraction data

2005 ◽  
Vol 38 (2) ◽  
pp. 280-290 ◽  
Author(s):  
Ralf Müller ◽  
Georg Roth
Keyword(s):  
Coordinate System ◽  
Single Crystals ◽  
Diffraction Data ◽  
Diffuse Scattering ◽  
Area Detector ◽  
Image Plate ◽  
Data Collections ◽  
Ccd Detectors ◽  
Matrix Free ◽  
Complete Program

Matrix-free integration of area-detector diffraction data is developed to interpret data collections from single crystals, twinned or multi-phased crystals as well as quasicrystals. A pixel-background method based on the algorithm described by Bolotovsky, White, Darovsky & Coppens [J. Appl. Cryst.(1995),28, 86–95] is employed. The method is modified by using an azimuthal coordinate system and distinguishes reliably between significant scattering intensities and background intensities. Very broad intensity distributions frome.g.powder rings can be determined and reflections superimposed by diffuse scattering can be integrated reliably. A complete program suite to process area-detector data, both from image-plate and CCD detectors, is presented. The program uses both matrix-free as well as matrix-based integration. The program is tested on single-crystal and twinned-crystal diffraction data.

Calibration of spiral-readout image-plate detectors

1999 ◽  
Vol 32 (1) ◽  
pp. 65-70 ◽  
Author(s):  
Mark A. White ◽  
Stanley J. Watowich ◽  
Robert O. Fox
Keyword(s):  
Diffraction Data ◽  
Diagnostic Tool ◽  
Improved Method ◽  
Calibration Table ◽  
Image Plate ◽  
Typical Data ◽  
Additional Equipment ◽  
Beam Center ◽  
Data Collections ◽  
Spiral Readout

An improved method for intensity-uniformity calibration of diffraction data collected on spiral-readout image-plate (IP) systems is described. This technique is applicable to all types of spiral-readout IP detectors. The procedure utilizes an attenuated direct-beam scan of the IP to generate a radial-sensitivity calibration table. Exposure and scanning of the calibration frame are done on the same time scale as typical data collections, and require no additional equipment. Specific examples are presented for use with Mac Science DIP2000 systems. The new radial calibration is shown to reduce significantly structure-basedRfactors. The improved radial calibration is also shown to lowerRmergewhen the IP is offset from the beam center. In addition to improving data quality and statistics, this method provides a quick and simple diagnostic tool to monitor changes in the sensitivity of the IP detector as a function of age.

A neutron-diffraction study of potassium bromide

1973 ◽  
Vol 137 (4) ◽  
Author(s):  
G. E. Bacon ◽  
D. H. Titterton ◽  
C. R. Walker
Keyword(s):  
Neutron Diffraction ◽  
Diffraction Data ◽  
Diffuse Scattering ◽  
Scattering Amplitude ◽  
Coherent Scattering ◽  
Neutron Diffraction Study ◽  
Potassium Bromide ◽  
Neutron Diffraction Data ◽  
Thermal Diffuse Scattering ◽  
Thermal Diffuse

AbstractNeutron-diffraction data have been collected from a KBr single crystal. 380 reflections were measured, reducing to 23 when averaged over equivalents. Data were corrected for extinction and thermal diffuse scattering and refinement yielded a neutron coherent scattering amplitude

Diffuse scattering in quaternary single crystals in the system Zr-Y-O-N

2000 ◽  
Vol 215 (8) ◽  
Author(s):  
I. Kaiser ◽  
Hans Boysen ◽  
Friedrich Frey ◽  
Martin Lerch ◽  
D. Hohlwein ◽  
...  
Keyword(s):  
Single Crystals ◽  
Diffuse Scattering ◽  
Quaternary System

The diffuse scattering of two single crystals in the quaternary system Zr-Y-O-N (Y

scholarly journals Crystal structures of the triple perovskites Ba2K2Te2O9and Ba2KNaTe2O9, and redetermination of the double perovskite Ba2CaTeO6

2018 ◽  
Vol 74 (7) ◽  
pp. 1006-1009 ◽  
Author(s):  
Matthias Weil
Keyword(s):  
Solid State ◽  
Single Crystals ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Perovskite Structure ◽  
Double Perovskite ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Group Type

Single crystals of Ba2K2Te2O9(dibarium dipotassium nonaoxidoditellurate), (I), Ba2KNaTe2O9(dibarium potassium sodium nonaoxidoditellurate), (II), and Ba2CaTeO6(dibarium calcium hexaoxidotellurate), (III), were obtained from KNO3/KI or KNO3/NaNO3flux syntheses in platinum crucibles for (I) and (II), or porcelain crucibles for (III). (I) and (II) are isotypic and are members of triple perovskites with general formulaA2[12co]A′[12co]B2[6o]B′[6o]O9. They crystallize in the 6H-BaTiO3structure family in space-group typeP63/mmc, with theA,A′,BandB′ sites being occupied by K, Ba, Te and a second Ba in (I), and in (II) by mixed-occupied (Ba/K), Ba, Te and Na sites, respectively. (III) adopts theA2[12co]B′[6o]B′′[6o]O6double perovskite structure in space-group typeFm-3m, with Ba, Ca and Te located on theA,B′ andB′′sites, respectively. The current refinement of (III) is based on single-crystal X-ray data. It confirms the previous refinement from X-ray powder diffraction data [Fuet al.(2008).J. Solid State Chem.181, 2523–2529], but with higher precision.

scholarly journals Rubidium tetrafluoridobromate(III): redetermination of the crystal structure from single-crystal X-ray diffraction data

IUCrData ◽  
2019 ◽  
Vol 4 (11) ◽  
Author(s):  
Artem V. Malin ◽  
Sergei I. Ivlev ◽  
Roman V. Ostvald ◽  
Florian Kraus
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Single Crystals ◽  
Diffraction Data ◽  
Structure Type ◽  
X Ray Diffraction ◽  
X Ray ◽  
Square Planar ◽  
Atomic Coordinates

Single crystals of rubidium tetrafluoridobromate(III), RbBrF4, were grown by melting and recrystallizing RbBrF4 from its melt. This is the first determination of the crystal structure of RbBrF4 using single-crystal X-ray diffraction data. We confirmed that the structure contains square-planar [BrF4]− anions and rubidium cations that are coordinated by F atoms in a square-antiprismatic manner. The compound crystallizes in the KBrF4 structure type. Atomic coordinates and bond lengths and angles were determined with higher precision than in a previous report based on powder X-ray diffraction data [Ivlev et al. (2015). Z. Anorg. Allg. Chem. 641, 2593–2598].

A High-Energy Monochromatic Laue (MonoLaue) X-ray Diffuse Scattering Study of KMnF3 using an Image Plate

1997 ◽  
Vol 30 (1) ◽  
pp. 16-20 ◽  
Author(s):  
A. Gibaud ◽  
D. Harlow ◽  
J. B. Hastings ◽  
J. P. Hill ◽  
D. Chapman
Keyword(s):  
Diffuse Scattering ◽  
High Energy ◽  
Experimental Conditions ◽  
X Ray ◽  
Image Plate ◽  
X Ray Scattering ◽  
Scattering Study ◽  
Diffraction Patterns ◽  
Ray Scattering

The technique of high-energy monochromatic Laue X-ray scattering using image plates to record the diffraction patterns is presented. A tunable wiggler beamline is used as an X-ray source. It is shown that such experimental conditions present many advantages over conventional tube sources and photographic films. A study of diffuse scattering in the perovskite compound KMnF3 is presented to illustrate this in a qualitative way.

Characterization of image plates for neutron diffraction

2009 ◽  
Vol 42 (5) ◽  
pp. 749-757 ◽  
Author(s):  
Clive Wilkinson ◽  
Mogens S. Lehmann ◽  
Flora Meilleur ◽  
Matthew P. Blakeley ◽  
Dean A. A. Myles ◽  
...  
Keyword(s):  
Point Spread Function ◽  
X Rays ◽  
Image Plate ◽  
Point Spread ◽  
Spread Function ◽  
Luminescent Signal ◽  
Diffraction Patterns ◽  
Integrated Intensities ◽  
Ccd Detectors ◽  
Lower Limits

A method to measure the overall gain and point-spread function of an image-plate detector system (converter, phosphor, readout electronics) online from single-crystal diffraction patterns is derived. Only with a knowledge of these quantities can one estimate without bias the true standard deviations of the observed integrated intensities of Bragg reflections measured with such a detector. The gain corrected for the point-spread function should ideally be approximately 1.0 to avoid loss of data or precision due to the upper and lower limits of digitization of the diffraction patterns. The gain and the point-spread function are derived for several configurations of the three neutron Laue image-plate diffractometers, LADI, VIVALDI and LADI-III, at the Institut Laue–Langevin. The detective quantum efficiencies (DQE) of these instruments have been measured to be 0.16 (1), 0.57 (2) and 0.46 (3), respectively. It has also been found that the DQE is effectively constant for different times of exposure, despite the fading of the photostimulated luminescent signal during that time. While the results described in this paper concern neutron detection by image plates, the method is equally valid for other integrating detectors and radiations,e.g.CCD detectors and X-rays.

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