Volume 48; Issue 6

Journal of Applied Crystallography

Volume 48; Issue 6

1

Crystallographic education in the 21st century

Gražulis, Saulius, Sarjeant, Amy Alexis, Moeck, Peter, Stone-Sundberg, Jennifer, Snyder, Trevor J., Kaminsky, Werner, Oliver, Allen G., Stern, Charlotte L., Dawe, Louise N., Rychkov, Denis A., Losev,

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 990 KB

english, 2015

2

A Rietveld refinement method for angular- and wavelength-dispersive neutron time-of-flight powder diffraction data

Jacobs, Philipp, Houben, Andreas, Schweika, Werner, Tchougréeff, Andrei L., Dronskowski, Richard

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.71 MB

english, 2015

3

Broadening Microstructure Analysis Program ( BMAP ): an isotropic and anisotropic crystallite size and strain calculator

Mahmoud, E. Khalafalla, Ebeid, M. R., Kaid, M. A., Ali, M. G. S.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 710 KB

english, 2015

4

Nearest-neighbor coordination polyhedral clusters in metallic phases defined using Friedel oscillation and atomic dense packing

Dong, Dandan, Zhang, Shuang, Wang, Zengrui, Dong, Chuang

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 307 KB

english, 2015

5

CDASH : a cloud-enabled program for structure solution from powder diffraction data

Spillman, Mark J., Shankland, Kenneth, Williams, Adrian C., Cole, Jason C.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 327 KB

english, 2015

6

Controlled growth of large β-BaB 2 O 4 crystals based on theoretical guidelines

Li, Zhihua, Zhang, Ran, Wu, Yaohuan, Tang, Bo, Zhang, Guochun

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.31 MB

english, 2015

7

Solving proteins at non-atomic resolution by direct methods

Burla, Maria Cristina, Carrozzini, Benedetta, Cascarano, Giovanni Luca, Giacovazzo, Carmelo, Polidori, Giampiero

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 155 KB

english, 2015

8

Three-dimensional characterization of grain boundaries in pure nickel by serial sectioning via mechanical polishing

Pirgazi, Hadi, Glowinski, Krzysztof, Morawiec, Adam, Kestens, Leo A. I.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.23 MB

english, 2015

9

Crystal growth of Ru-doped congruent LiNbO 3 and investigation of crystalline perfection and optical properties

Riscob, B., Bhaumik, Indranil, Ganesamoorthy, S., Bhatt, R., Vijayan, N., Zimik, Khavangkhui, Karnal, A. K., Bhagavannarayana, G., Gupta, P. K.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.10 MB

english, 2015

10

Microstructural investigations of SrTiO 3 single crystals and polysilicon using a powerful new X-ray diffraction surface mapping technique

Guguschev, Christo, Tagle, Roald, Juda, Uta, Kwasniewski, Albert

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.30 MB

english, 2015

11

Growth mechanism of titanium monoxide TiO x on a reduced calcium titanate CaTi 2 O 4 surface

Guo, Cong, Sheng, Huaping, Ma, Yurong, Jin, Lei, Jia, Shuangfeng, Zheng, He, Liu, Yong, Shi, Jing, Wang, Jianbo

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 2.16 MB

english, 2015

12

The benefits of one-dimensional detectors for high-pressure powder X-ray diffraction

Fisch, Martin, Lanza, Arianna, Macchi, Piero, Casati, Nicola

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 2.09 MB

english, 2015

13

Applications of principal component analysis to pair distribution function data

Chapman, Karena W., Lapidus, Saul H., Chupas, Peter J.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.05 MB

english, 2015

14

Reliable structural data from Rietveld refinements via restraint consistency

Dmitrienko, Artem O., Bushmarinov, Ivan S.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 832 KB

english, 2015

15

Modeling solution X-ray scattering of biomacromolecules using an explicit solvent model and the fast Fourier transform

Tong, Dudu, Yang, Jianbin, Lu, Lanyuan

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 813 KB

english, 2015

16

Accurate strain determination from digital image correlation of Laue diffraction spots

Borbély, András

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 265 KB

english, 2015

17

Tailored multivariate analysis for modulated enhanced diffraction

Caliandro, Rocco, Guccione, Pietro, Nico, Giovanni, Tutuncu, Goknur, Hanson, Jonathan C.

Journal:

Journal of Applied Crystallography

Year:

2015

File:

PDF, 299 KB

2015

18

DEBUSSY 2.0 : the new release of a Debye user system for nanocrystalline and/or disordered materials

Cervellino, Antonio, Frison, Ruggero, Bertolotti, Federica, Guagliardi, Antonietta

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1007 KB

english, 2015

19

Structure solution and refinement of stacking-faulted NiCl(OH)

Bette, Sebastian, Dinnebier, Robert E., Freyer, Daniela

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.62 MB

english, 2015

20

Crystallographic Tool Box ( CrysTBox ): automated tools for transmission electron microscopists and crystallographers

Klinger, Miloslav, Jäger, Aleš

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 973 KB

english, 2015

21

Crystallography in the 21st century: pure and applied

Hasnain, S. Samar

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 255 KB

english, 2015

22

A neutron diffuse scattering study of PbZrO 3 and Zr-rich PbZr 1– x Ti x O 3

Zhang, Nan, Paściak, Marek, Glazer, A. M., Hlinka, Jirka, Gutmann, Matthias, Sparkes, Hazel A., Welberry, T. R., Majchrowski, Andrzej, Roleder, K., Xie, Yujuan, Ye, Zuo-Guang

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 2.15 MB

english, 2015

23

Visualizing patterned thin films by grazing-incidence small-angle X-ray scattering coupled with computed tomography

Ogawa, Hiroki, Nishikawa, Yukihiro, Fujiwara, Akihiko, Takenaka, Mikihito, Wang, Yi-Chin, Kanaya, Toshiji, Takata, Masaki

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 858 KB

english, 2015

24

Interpretation of electron diffraction patterns in the presence of oriented planar faults

Kurz, S. J. B., Leineweber, A., Mittemeijer, E. J.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 726 KB

english, 2015

25

Compositional and architectural variation in urinary calculi from nucleus to periphery: an integrated IR spectroscopy, scanning electron microscopy and powder X-ray diffraction approach

Chatterjee, Paramita, Pramanik, Samiran, Mukherjee, Alok Kumar

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 3.13 MB

english, 2015

26

Tuning the instrument resolution using chopper and time of flight at the small-angle neutron scattering diffractometer KWS-2

Radulescu, Aurel, Székely, Noémi Kinga, Polachowski, Stephan, Leyendecker, Marko, Amann, Matthias, Buitenhuis, Johan, Drochner, Matthias, Engels, Ralf, Hanslik, Romuald, Kemmerling, Günter, Lindner, P

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.60 MB

english, 2015

27

MultiRef : software platform for Rietveld refinement of multiple powder diffractograms from in situ , scanning or diffraction tomography experiments

Frølich, Simon, Birkedal, Henrik

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 994 KB

english, 2015

28

Morphology of crystalline–amorphous olefin block copolymers in solution characterized by small-angle neutron scattering and microscopy

Radulescu, Aurel, Goerigk, Günter, Fetters, Lewis, Richter, Dieter

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.72 MB

english, 2015

29

Solution scattering from colloidal curved plates: barrel tiles, scrolls and spherical patches

Constantin, Doru

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 645 KB

english, 2015

30

Residual stress determination in a shot-peened nickel-based single-crystal superalloy using X-ray diffraction

Morançais, Amélie, Fèvre, Mathieu, François, Manuel, Guel, Nicolas, Kruch, Serge, Kanouté, Pascale, Longuet, Arnaud

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.65 MB

english, 2015

31

Algorithms for determining the phase of RHEED oscillations

Mitura, Zbigniew, Dudarev, Sergei L.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 901 KB

english, 2015

32

Influence of polychromaticity on particle structure determination in small-angle X-ray scattering

Wang, Wenjia, Shtykova, Eleonora V., Volkov, Vladimir V., Chang, Guangcai, Zhang, Lianhui, Dong, Yuhui, Liu, Peng

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.33 MB

english, 2015

33

Simultaneous high-resolution scanning Bragg contrast and ptychographic imaging of a single solar cell nanowire

Wallentin, Jesper, Wilke, Robin N., Osterhoff, Markus, Salditt, Tim

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.04 MB

english, 2015

34

An improved algorithm for reducing reflectometry data involving divergent beams or non-flat samples

Cubitt, Robert, Saerbeck, Thomas, Campbell, Richard A., Barker, Robert, Gutfreund, Philipp

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 838 KB

english, 2015

35

Optimized pinhole geometry for small-angle scattering

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 810 KB

english, 2015

36

Domain size anisotropy in the double-Voigt approach: an extended model

Ectors, D., Goetz-Neunhoeffer, F., Neubauer, J.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 154 KB

english, 2015

37

An empirical correction for the influence of low-energy contamination

Krause, Lennard, Herbst-Irmer, Regine, Stalke, Dietmar

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.03 MB

english, 2015

38

The same once again please: a pedagogical introduction to normalizers

Nespolo, Massimo

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 2.05 MB

english, 2015

39

Characterization and interpretation of twin related row-matching orientation relationships between Mg 2 Sn precipitates and the Mg matrix

Shi, Zhang-Zhi, Zhang, Wen-Zheng

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.92 MB

english, 2015

40

A multi-functional dual-energy laboratory Mo-Cr-SAXS system

Koppoju, Suresh

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 548 KB

english, 2015

41

Mapping the morphological changes of deposited gold nanoparticles across an imprinted groove

Roth, Stephan Volkher, Döhrmann, Ralph, Gehrke, Rainer, Röhlsberger, Ralf, Schlage, Kai, Metwalli, Ezzeldin, Körstgens, Volker, Burghammer, Manfred, Riekel, Christian, David, Christian, Müller-Buschba

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 740 KB

english, 2015

42

Rietveld analysis of computed tomography and its application to methanol to olefin reactor beds

Wragg, David Stephen, O'Brien, Matthew G., Di Michiel, Marco, Lønstad-Bleken, Francesca

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 2.29 MB

english, 2015

43

Removing multiple outliers and single-crystal artefacts from X-ray diffraction computed tomography data

Vamvakeros, Antonios, Jacques, Simon D. M., Di Michiel, Marco, Middelkoop, Vesna, Egan, Christopher K., Cernik, Robert J., Beale, Andrew M.

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 3.98 MB

english, 2015

44

DShaper : an approach for handling missing low- Q data in pair distribution function analysis of nanostructured systems

Olds, Daniel, Wang, Hsiu-Wen, Page, Katharine

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 1.88 MB

english, 2015

45

Logistic regression models to predict solvent accessible residues using sequence- and homology-based qualitative and quantitative descriptors applied to a domain-complete X-ray structure learning set

Nepal, Reecha, Spencer, Joanna, Bhogal, Guneet, Nedunuri, Amulya, Poelman, Thomas, Kamath, Thejas, Chung, Edwin, Kantardjieff, Katherine, Gottlieb, Andrea, Lustig, Brooke

Journal:

Journal of Applied Crystallography

Year:

2015

Language:

english

File:

PDF, 456 KB

english, 2015

46

Effect of finite spatial coherence length on small-angle scattering

Shinohara, Yuya, Amemiya, Yoshiyuki

Journal:

Journal of Applied Crystallography

Year:

2015

File:

PDF, 238 KB

2015

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