The interpretation of simultaneous small and wide-angle X-ray scattering data collected during quiescent crystallisation

2005 ◽  
Vol 13 ◽  
pp. 31-37 ◽  
Author(s):  
S Hanna
Keyword(s):  
Scattering Data ◽  
Wide Angle ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

In-house simultaneous collection of small-angle X-ray scattering, wide-angle X-ray diffraction and Raman scattering data from polymeric materials

2014 ◽  
Vol 47 (3) ◽  
pp. 922-930 ◽  
Author(s):  
Raita Hirose ◽  
Taiyo Yoshioka ◽  
Hiroko Yamamoto ◽  
Kummetha Raghunatha Reddy ◽  
Daisuke Tahara ◽  
...  
Keyword(s):  
Raman Scattering ◽  
Small Angle ◽  
Polymeric Materials ◽  
Scattering Data ◽  
Present System ◽  
Wide Angle ◽  
X Ray Diffraction ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

An in-house X-ray scattering system, which can simultaneously measure small-angle X-ray scattering (SAXS) and wide-angle X-ray diffraction (WAXD) data, as well Raman scattering data, has been developed to study the phase transitions of polymeric materials. To date, these types of measurements have been limited to synchrotron radiation. The present system is an in-house SAXS system combined with a WAXD detector and a Raman spectrometer. A rotating-anode X-ray generator and multilayer optic are employed to provide a high-flux X-ray beam. Two two-dimensional hybrid pixel detectors are utilized for the rapid-scan time-resolved SAXS and WAXD measurements. The Raman unit consists of a compact probe with a near-infrared excitation laser operating at a wavelength of 1064 nm. This long-wavelength laser produces less fluorescence than conventional excitation lasers with wavelengths of 532 or 785 nm. The performance of this system was tested by investigating the thermally induced ferroelectric phase transition of vinylidene fluoride–trifluoroethylene (VDF-TrFE) copolymers. It has been demonstrated that the combination of SAXS, WAXD and Raman techniques gives useful information for revealing the relationship between the structural change in the crystal lattice and the morphological change in the lamellar stacking mode in polymer samples of complicated hierarchical structure.

scholarly journals The Diffraction Pattern Calculator(DPC) toolkit: a user-friendly approach to unit-cell lattice parameter identification of two-dimensional grazing-incidence wide-angle X-ray scattering data

2014 ◽  
Vol 47 (6) ◽  
pp. 2090-2099 ◽  
Author(s):  
Anna K. Hailey ◽  
Anna M. Hiszpanski ◽  
Detlef-M. Smilgies ◽  
Yueh-Lin Loo
Keyword(s):  
Crystal Structure ◽  
Grazing Incidence ◽  
Unit Cell ◽  
Lattice Parameters ◽  
Scattering Data ◽  
Wide Angle ◽  
Two Dimensional ◽  
X Ray ◽  
X Ray Scattering ◽  
Ray Scattering

TheDPCtoolkit is a simple-to-use computational tool that helps users identify the unit-cell lattice parameters of a crystal structure that are consistent with a set of two-dimensional grazing-incidence wide-angle X-ray scattering data. The input data requirements are minimal and easy to assemble from data sets collected with any position-sensitive detector, and the user is required to make as few initial assumptions about the crystal structure as possible. By selecting manual or automatic modes of operation, the user can either visually match the positions of the experimental and calculated reflections by individually tuning the unit-cell parameters or have the program perform this process for them. Examples that demonstrate the utility of this program include determining the lattice parameters of a polymorph of a fluorinated contorted hexabenzocoronene in a blind test and refining the lattice parameters of the thin-film phase of 5,11-bis(triethylsilylethynyl)anthradithiophene with the unit-cell dimensions of its bulk crystal structure being the initial inputs.

scholarly journals Upgrade of MacCHESS facility for X-ray scattering of biological macromolecules in solution

2015 ◽  
Vol 22 (1) ◽  
pp. 180-186 ◽  
Author(s):  
Alvin Samuel Acerbo ◽  
Michael J. Cook ◽  
Richard Edward Gillilan
Keyword(s):  
Scattering Data ◽  
Biological Macromolecules ◽  
Wide Angle ◽  
X Ray ◽  
Pristine Sample ◽  
X Ray Scattering ◽  
Angle Scattering ◽  
Order Of Magnitude ◽  
Ray Scattering

X-ray scattering of biological macromolecules in solution is an increasingly popular tool for structural biology and benefits greatly from modern high-brightness synchrotron sources. The upgraded MacCHESS BioSAXS station is now located at the 49-pole wiggler beamline G1. The 20-fold improved flux over the previous beamline F2 provides higher sample throughput and autonomous X-ray scattering data collection using a unique SAXS/WAXS dual detectors configuration. This setup achieves a combinedq-range from 0.007 to 0.7 Å−1, enabling better characterization of smaller molecules, while opening opportunities for emerging wide-angle scattering methods. In addition, a facility upgrade of the positron storage ring to continuous top-up mode has improved beam stability and eliminated beam drift over the course of typical BioSAXS experiments. Single exposure times have been reduced to 2 s for 3.560 mg ml−1lysozyme with an average quality factorI/σ of 20 in the Guinier region. A novel disposable plastic sample cell design that incorporates lower background X-ray window material provides users with a more pristine sample environment than previously available. Systematic comparisons of common X-ray window materials bonded to the cell have also been extended to the wide-angle regime, offering new insight into best choices for variousq-space ranges. In addition, a quantitative assessment of signal-to-noise levels has been performed on the station to allow users to estimate necessary exposure times for obtaining usable signals in the Guinier regime. Users also have access to a new BioSAXS sample preparation laboratory which houses essential wet-chemistry equipment and biophysical instrumentation. User experiments at the upgraded BioSAXS station have been on-going since commissioning of the beamline in Summer 2013. A planned upgrade of the G1 insertion device to an undulator for the Winter 2014 cycle is expected to further improve flux by an order of magnitude.

CarbX: a program for the evaluation of wide-angle X-ray scattering data of non-graphitic carbons

2018 ◽  
Vol 51 (1) ◽  
pp. 219-229 ◽  
Author(s):  
Torben Pfaff ◽  
Mats Simmermacher ◽  
Bernd M. Smarsly
Keyword(s):  
Measurement Data ◽  
Scattering Data ◽  
Analysis Tool ◽  
Wide Angle ◽  
X Ray ◽  
Microstructural Parameters ◽  
X Ray Scattering ◽  
Complex Evaluation ◽  
Evaluation Algorithm ◽  
Ray Scattering

CarbXis an open-source program designed for the analysis of wide-angle X-ray scattering (WAXS) data of non-graphitic carbons (NGCs). As knowledge of their microstructure is crucial for tuning desired properties, an `easy-to-use' analysis tool is essential for effective research in this field. UsingCarbXone can retrieve up to 14 microstructural parameters from a single WAXS pattern without having to master the associated complicated mathematics.CarbXwas developed to serve as a convenient graphical user interface, translating a complex evaluation algorithm introduced by Ruland & Smarsly [J. Appl. Cryst.(2002),35, 624–633] into software which can be operated by non-experts. Besides the core functionality of displaying data and manually fitting WAXS curves by user-editable parameters,CarbXoffers additional features such as visualization of the deviation between data and fit, the possibility to choose the wavelength used in the measurement, and automatic fitting (using WolframMathematica). One of the key features of the comfortable usability is the functionality to display templates. This allows the user to visually compare measurement data with typical types of NGC WAXS curves which are presented graphically around the measurement data. The authors believe that this program will provide a useful tool for scientists dealing with the characterization of NGCs.

A Revised O2 Reduction Model in Li-O2 Batteries as Revealed by in Situ Small Angle X-Ray Scattering

2019 ◽  
Author(s):  
Christian Prehal ◽  
Aleksej Samojlov ◽  
Manfred Nachtnebel ◽  
Manfred Kriechbaum ◽  
Heinz Amenitsch ◽  
...  
Keyword(s):  
Small Angle ◽  
Wide Angle ◽  
Reduction Mechanism ◽  
Reduction Model ◽  
X Ray ◽  
X Ray Scattering ◽  
O2 Reduction ◽  
Ray Scattering

<b>Here we use in situ small and wide angle X-ray scattering to elucidate unexpected mechanistic insights of the O2 reduction mechanism in Li-O2 batteries.<br></b>

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