Grazing‐incidence scattering surveyed: towards reference methods for alignment and calibration
With the recent gain in popularity of grazing‐incidence instruments, harmonization is needed to establish intercomparability. This review of existing instruments and methods highlights the diversity of approaches in the community and is a first step towards reference methods.Grazing‐incidence small‐angle scattering (GISAS) is a relatively young ...
Anja F. Hörmann +7 more
wiley +1 more source
Measurements and scaling of X‐ray total scattering from single crystals
A measurement protocol and data reduction workflow are presented for obtaining single‐crystal X‐ray total‐scattering datasets on an absolute scale, capturing both Bragg and diffuse intensities from the same dataset. The study demonstrates consistency between scale factors derived from Bragg refinements and from spherical integration of the total ...
Semën Gorfman +5 more
wiley +1 more source
Gas‐controlled capillary spinner for time‐resolved powder X‐ray diffraction under dynamic conditions
The newly developed gas‐controlled capillary spinner enables continuous high‐speed sample rotation during in situ powder X‐ray diffraction under dynamic gas conditions. By improving the uniformity of the diffraction intensity, this system enables reliable millisecond time‐resolved structural analysis for operando studies.A gas‐controlled capillary ...
Shogo Kawaguchi +3 more
wiley +1 more source
Deciphering unusually large modulations in two related organic hydroxy channel structures
Two related organic hydroxy‐channel compounds are shown to have unusually large structural modulations.The incommensurately modulated structures of two related organic hydroxy‐channel compounds [(R)‐1‐(1,3‐dihydroxypropan‐2‐yl)‐3‐(octan‐2‐yl)urea, 1; 1‐(1,3‐dihydroxypropan‐2‐yl)‐3‐octylurea, 2] have been determined and compared to the structure of a ...
Arie van der Lee +8 more
wiley +1 more source
50th anniversary of the Stanford SSRL synchrotron radiation and protein crystallography initiative. [PDF]
Helliwell JR, Nave C, Szebenyi DM.
europepmc +1 more source
High‐pressure and high‐temperature polymorphism of Na2CO3 up to 10 GPa
Two new high‐pressure phases, ϵ and ϵ‐II, observed during in situ experiments, complete the high‐pressure phase diagram of Na2CO3 and show that both the incommensurate γ phase and the ϵ phase are stable over a wider pressure–temperature range under mantle‐relevant conditions.We report two new high‐pressure polymorphs of sodium carbonate, ϵ and ϵ‐II ...
Benedetta Chrappan Soldavini +5 more
wiley +1 more source
Pinpointing Protein Crystal Structures over a Broad Temperature Range Using Hydrophobic Protection. [PDF]
Ribeiro FS, Lima LMTR.
europepmc +1 more source
For the first time, the structural response to pressure of a verdazyl radical crystal has been studied. Computational modelling revealed changes in electronic and magnetic properties as a result of a structural phase transition.The response of the 1,5‐tolyl‐3‐phenyl‐6‐oxo‐verdazyl radical (pTolOV) to pressure in the crystalline state has been ...
James R. Brookes +7 more
wiley +1 more source
A user-friendly goniometer-compatible fixed-target platform for macromolecular crystallography at synchrotrons. [PDF]
Ghosh S +13 more
europepmc +1 more source
Single‐crystal X‐ray diffuse scattering combined with Monte Carlo simulations and 3D‐ΔPDF analysis reveals complex short‐range order in mannardite, involving coupled Ba–Ba interactions within and between tunnels and framework relaxation.Mannardite, Ba[(Ti4+)6(V3+)2]O16, a mineral of the hollandite supergroup, is characterized by a tunnel structure ...
Ella Mara Schmidt +5 more
wiley +1 more source

