http://journals.iucr.org/s/issues/2012/02/00/isscontsbdy.html Synchrotron radiation research is rapidly expanding with many new sources of radiation being created globally. Synchrotron radiation plays a leading role in pure science and in emerging technologies. The Journal of Synchrotron Radiation provides comprehensive coverage of the entire field of synchrotron radiation research including instrumentation, theory, computing and scientific applications in areas such as biology, nanoscience and materials science. Rapid publication ensures an up-to-date information resource for scientists and engineers in the field. en Copyright (c) 2012 International Union of Crystallography 2012-03-01 International Union of Crystallography International Union of Crystallography http://journals.iucr.org urn:issn:0909-0495 Synchrotron radiation research is rapidly expanding with many new sources of radiation being created globally. Synchrotron radiation plays a leading role in pure science and in emerging technologies. The Journal of Synchrotron Radiation provides comprehensive coverage of the entire field of synchrotron radiation research including instrumentation, theory, computing and scientific applications in areas such as biology, nanoscience and materials science. Rapid publication ensures an up-to-date information resource for scientists and engineers in the field. text/html Journal of Synchrotron Radiation, Volume 19, Part 2, 2012 text yearly 6 2002-01-01T00:00+00:00 2 19 2012-03-01 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation 145 urn:issn:0909-0495 med@iucr.org March 2012 2012-03-01 http://journals.iucr.org/logos/rss10s.gif http://journals.iucr.org/s/issues/2012/02/00/isscontsbdy.html Still image http://scripts.iucr.org/cgi-bin/paper?vv5024 Focusing planar refractive mosaic lenses based on triangular prism microstructures have been used as an alternative approach for wide-bandpass monochromatization of high-energy X-rays. The strong energy dependence of the refractive index of the lens material leads to an analogous energy dependence of the focal length of the lens. The refractive mosaic lens, in comparison with the refractive lens of continuous parabolic profile, is characterized by a higher aperture because of reduced passive material. In combination with a well defined pinhole aperture in the focal plane, the transmittance of photons of an appropriate energy can be relatively high and photons of deviating energy can be efficiently suppressed. The photon energy can be tuned by translating the pinhole along the optical axis, and the bandwidth changed by selecting appropriate pinhole aperture and beam stop. This method of monochromatization was realised at the ANKA FLUO beamline using a mosaic lens together with a 20 µm pinhole and beam stop. An energy resolution of 2.0% at 16 keV has been achieved. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Liu, T. Simon, R. Batchelor, D. Nazmov, V. Hagelstein, M. 2012-01-05 doi:10.1107/S0909049511052307 International Union of Crystallography Based on the refraction by planar mosaic prism lenses, an X-ray monochromator with moderate bandpass and energy tunability has been proposed and tested. EN X-ray optics refractive mosaic lens monochromator Focusing planar refractive mosaic lenses based on triangular prism microstructures have been used as an alternative approach for wide-bandpass monochromatization of high-energy X-rays. The strong energy dependence of the refractive index of the lens material leads to an analogous energy dependence of the focal length of the lens. The refractive mosaic lens, in comparison with the refractive lens of continuous parabolic profile, is characterized by a higher aperture because of reduced passive material. In combination with a well defined pinhole aperture in the focal plane, the transmittance of photons of an appropriate energy can be relatively high and photons of deviating energy can be efficiently suppressed. The photon energy can be tuned by translating the pinhole along the optical axis, and the bandwidth changed by selecting appropriate pinhole aperture and beam stop. This method of monochromatization was realised at the ANKA FLUO beamline using a mosaic lens together with a 20 µm pinhole and beam stop. An energy resolution of 2.0% at 16 keV has been achieved. text/html A desktop X-ray monochromator for synchrotron radiation based on refraction in mosaic prism lenses text 2 19 2012-01-05 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?gf5040 The ordered-subsets expectation maximization algorithm (OSEM) is introduced to X-ray fluorescence computed tomography (XFCT) and studied; here, simulations and experimental results are presented. The simulation results indicate that OSEM is more accurate than the filtered back-projection algorithm, and it can efficiently suppress the deterioration of image quality within a large range of angular sampling intervals. Experimental results of both an artificial phantom and cirrhotic liver show that with a satisfying image quality the angular sampling interval could be improved to save on the data-acquisition time when OSEM is employed. In addition, with an optimum number of subsets, the image reconstruction time of OSEM could be reduced to about half of the time required for one subset. Accordingly, it can be concluded that OSEM is a potential method for fast and accurate XFCT imaging. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Yang, Q. Deng, B. Lv, W. Shen, F. Chen, R. Wang, Y. Du, G. Yan, F. Xiao, T. Xu, H. 2012-01-05 doi:10.1107/S0909049511052253 International Union of Crystallography The ordered-subsets expectation maximization algorithm in X-ray fluorescence computed tomography allows image reconstruction with a large angular sampling interval but maintaining a high image quality. EN X-ray fluorescence computed tomography ordered-subsets expectation maximization algorithm angular sampling interval The ordered-subsets expectation maximization algorithm (OSEM) is introduced to X-ray fluorescence computed tomography (XFCT) and studied; here, simulations and experimental results are presented. The simulation results indicate that OSEM is more accurate than the filtered back-projection algorithm, and it can efficiently suppress the deterioration of image quality within a large range of angular sampling intervals. Experimental results of both an artificial phantom and cirrhotic liver show that with a satisfying image quality the angular sampling interval could be improved to save on the data-acquisition time when OSEM is employed. In addition, with an optimum number of subsets, the image reconstruction time of OSEM could be reduced to about half of the time required for one subset. Accordingly, it can be concluded that OSEM is a potential method for fast and accurate XFCT imaging. text/html Fast and accurate X-ray fluorescence computed tomography imaging with the ordered-subsets expectation maximization algorithm text 2 19 2012-01-05 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?mo5019 Energy-domain grazing-incidence 57Fe-Mössbauer spectroscopy (E-GIMS) with synchrotron radiation (SR) has been developed to study surface and interface structures of thin films. Highly brilliant 57Fe-Mössbauer radiation, filtered from SR by a 57FeBO3 single-crystal nuclear Bragg monochromator, allows conventional Mössbauer spectroscopy to be performed for dilute 57Fe in a mirror-like film in any bunch-mode operation of SR. A theoretical and experimental study of the specular reflections from isotope-enriched (57Fe: 95%) and natural-abundance (57Fe: ∼2%) iron thin films has been carried out to clarify the basic features of the coherent interference between electronic and nuclear resonant scattering of 57Fe-Mössbauer radiation in thin films. Moreover, a new surface- and interface-sensitive method has been developed by the combination of SR-based E-GIMS and the 57Fe-probe layer technique, which enables us to probe interfacial complex magnetic structures in thin films with atomic-scale depth resolution. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Mitsui, T. Masuda, R. Seto, M. Suharyadi, E. Mibu, K. 2012-01-05 doi:10.1107/S0909049511049958 International Union of Crystallography Basic and application studies of grazing-incidence synchrotron-radiation 57Fe-Mössbauer spectroscopy using a nuclear Bragg monochromator are introduced. As a great advantage for surface and interface science, the developed method combined with the 57Fe-probe layer technique enables researchers to study the interface structure of thin films with atomic-scale depth resolution. EN Mössbauer spectroscopy nuclear Bragg scattering nuclear monochromator magnetic thin film grazing incidence total reflection Energy-domain grazing-incidence 57Fe-Mössbauer spectroscopy (E-GIMS) with synchrotron radiation (SR) has been developed to study surface and interface structures of thin films. Highly brilliant 57Fe-Mössbauer radiation, filtered from SR by a 57FeBO3 single-crystal nuclear Bragg monochromator, allows conventional Mössbauer spectroscopy to be performed for dilute 57Fe in a mirror-like film in any bunch-mode operation of SR. A theoretical and experimental study of the specular reflections from isotope-enriched (57Fe: 95%) and natural-abundance (57Fe: ∼2%) iron thin films has been carried out to clarify the basic features of the coherent interference between electronic and nuclear resonant scattering of 57Fe-Mössbauer radiation in thin films. Moreover, a new surface- and interface-sensitive method has been developed by the combination of SR-based E-GIMS and the 57Fe-probe layer technique, which enables us to probe interfacial complex magnetic structures in thin films with atomic-scale depth resolution. text/html Grazing-incidence synchrotron-radiation 57Fe-Mössbauer spectroscopy using a nuclear Bragg monochromator and its application to the study of magnetic thin films text 2 19 2012-01-05 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?mo5024 The propagation of hard X-ray synchrotron beams in waveguides with guiding layer diameters in the 9–35 nm thickness range has been studied. The planar waveguide structures consist of an optimized two-component cladding. The presented fabrication method is suitable for short and leak-proof waveguide slices with lengths (along the optical axis) in the sub-500 µm range, adapted for optimized transmission at photon energies of 11.5–18 keV. A detailed comparison between finite-difference simulations of waveguide optics and the experimental results is presented, concerning transmission, divergence of the waveguide exit beam, as well as the angular acceptance. In a second step, two crossed waveguides have been used to create a quasi-point source for propagation-based X-ray imaging at the new nano-focus endstation of the P10 coherence beamline at Petra III. By inverting the measured Fraunhofer diffraction pattern by an iterative error-reduction algorithm, a two-dimensional focus of 10 nm × 10 nm is obtained. Finally, holographic imaging of a lithographic test structure based on this optical system is demonstrated. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Krüger, S.P. Neubauer, H. Bartels, M. Kalbfleisch, S. Giewekemeyer, K. Wilbrandt, P.J. Sprung, M. Salditt, T. 2012-01-06 doi:10.1107/S0909049511051983 International Union of Crystallography Optimized X-ray waveguides have been fabricated and characterized in terms of transmission, angular acceptance, farfield pattern and imaging applications. Beam confinement down to sub-10 nm in two orthogonal directions has been demonstrated, at the nano-focus endstation at P10 of PETRA III at HASYLAB/DESY. EN X-ray waveguides X-ray imaging The propagation of hard X-ray synchrotron beams in waveguides with guiding layer diameters in the 9–35 nm thickness range has been studied. The planar waveguide structures consist of an optimized two-component cladding. The presented fabrication method is suitable for short and leak-proof waveguide slices with lengths (along the optical axis) in the sub-500 µm range, adapted for optimized transmission at photon energies of 11.5–18 keV. A detailed comparison between finite-difference simulations of waveguide optics and the experimental results is presented, concerning transmission, divergence of the waveguide exit beam, as well as the angular acceptance. In a second step, two crossed waveguides have been used to create a quasi-point source for propagation-based X-ray imaging at the new nano-focus endstation of the P10 coherence beamline at Petra III. By inverting the measured Fraunhofer diffraction pattern by an iterative error-reduction algorithm, a two-dimensional focus of 10 nm × 10 nm is obtained. Finally, holographic imaging of a lithographic test structure based on this optical system is demonstrated. text/html Sub-10 nm beam confinement by X-ray waveguides: design, fabrication and characterization of optical properties text 2 19 2012-01-06 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?vv5031 A new sputtering system for in situ X-ray experiments during DC and RF magnetron sputtering is described. The outstanding features of the system are the modular design of the vacuum chamber, the adjustable deposition angle, the option for plasma diagnostics, and the UHV sample transfer in order to access complementary surface analysis methods. First in situ diffraction and reflectivity measurements during RF and DC deposition of vanadium carbide demonstrate the performance of the set-up. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Krause, B. Darma, S. Kaufholz, M. Gräfe, H.-H. Ulrich, S. Mantilla, M. Weigel, R. Rembold, S. Baumbach, T. 2012-01-06 doi:10.1107/S0909049511052320 International Union of Crystallography A description of a new sputtering system for in situ X-ray experiments during DC and RF magnetron sputtering is given. First experimental results on vanadium carbide are presented. EN in situ X-ray measurement thin-film growth sputter deposition deposition chamber texture polycrystalline materials A new sputtering system for in situ X-ray experiments during DC and RF magnetron sputtering is described. The outstanding features of the system are the modular design of the vacuum chamber, the adjustable deposition angle, the option for plasma diagnostics, and the UHV sample transfer in order to access complementary surface analysis methods. First in situ diffraction and reflectivity measurements during RF and DC deposition of vanadium carbide demonstrate the performance of the set-up. text/html Modular deposition chamber for in situ X-ray experiments during RF and DC magnetron sputtering text 2 19 2012-01-06 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?kt5033 A new in situ method is proposed to characterize the peak magnetic fields of undulator sources. The X-ray beam emitted by the HU52 Apple-2 undulator of the DEIMOS beamline of the SOLEIL synchrotron is analyzed using the Bragg diffraction of a Si(111) crystal. Measurements over the undulator gap range in linear horizontal polarization are compared with simulations in order to rebuild the Halbach function linking the undulator gaps to their peak magnetic fields. The method presented also allows information about the electron beam to be obtained. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Moreno, T. Otero, E. Ohresser, P. 2012-01-06 doi:10.1107/S0909049511052873 International Union of Crystallography A new method to determine the magnetic fields of undulator sources from their X-ray emission is presented. EN undulator crystal Bragg diffraction Halbach function A new in situ method is proposed to characterize the peak magnetic fields of undulator sources. The X-ray beam emitted by the HU52 Apple-2 undulator of the DEIMOS beamline of the SOLEIL synchrotron is analyzed using the Bragg diffraction of a Si(111) crystal. Measurements over the undulator gap range in linear horizontal polarization are compared with simulations in order to rebuild the Halbach function linking the undulator gaps to their peak magnetic fields. The method presented also allows information about the electron beam to be obtained. text/html In situ characterization of undulator magnetic fields text 2 19 2012-01-06 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?ie5058 X-ray microdiffraction is a powerful technique for conducting high-spatial-resolution lattice strain measurements. However, there has been limited validation of the technique to date. An experiment was conducted at the Advanced Light Source to assess the uncertainty of deviatoric lattice strains measured using polychromatic X-ray microdiffraction. It is shown that the measurement uncertainty is different for each component of the deviatoric lattice strain tensor. Monte Carlo simulations of the experiment are used to explain the differences in uncertainty. The simulations point to the existence of spurious deformation modes that arise erroneously in the strain calculation owing to measurement noise and limited pole figure coverage. Methods for reducing measurement uncertainty are proposed. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Poshadel, A. Dawson, P. Johnson, G. 2012-01-07 doi:10.1107/S0909049511050400 International Union of Crystallography An in situ loading experiment demonstrates differences in uncertainties among deviatoric lattice strain components measured using polychromatic X-ray microdiffraction. Monte Carlo simulations show that the differences in uncertainties are caused by spurious deformation modes that arise erroneously in the strain calculation owing to measurement noise and limited pole figure coverage. EN polychromatic X-ray microdiffraction lattice strain uncertainty in situ X-ray microdiffraction is a powerful technique for conducting high-spatial-resolution lattice strain measurements. However, there has been limited validation of the technique to date. An experiment was conducted at the Advanced Light Source to assess the uncertainty of deviatoric lattice strains measured using polychromatic X-ray microdiffraction. It is shown that the measurement uncertainty is different for each component of the deviatoric lattice strain tensor. Monte Carlo simulations of the experiment are used to explain the differences in uncertainty. The simulations point to the existence of spurious deformation modes that arise erroneously in the strain calculation owing to measurement noise and limited pole figure coverage. Methods for reducing measurement uncertainty are proposed. text/html Assessment of deviatoric lattice strain uncertainty for polychromatic X-ray microdiffraction experiments text 2 19 2012-01-07 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?vv5030 For X-ray absorption spectroscopy, either in transmission mode with concentrated samples or for dilute samples in fluorescence mode, it is advantageous to improve the signal-to-noise ratio by implementing a slit apparatus. Several investigations into the improvement of measurements when slits and filters are employed have been reported; however, these have always been for a particular design and are not transferable between dissimilar systems. A generalized approach to Soller slit design will be presented which enables a target level of noise rejection to be achieved by varying the number, size and placement of the filter and Soller slit assembly. A procedure for determining the reduction in efficiency of the Soller slits with respect to misalignment with the sample will also be discussed. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Bewer, B. 2012-01-07 doi:10.1107/S0909049511052319 International Union of Crystallography The filter fluorescence or backscatter rejection capability and operational efficiency of Soller slits is determined for an arbitrary design depending on the number of slits, the size of the slits, and any misalignment from the intended focus point. EN Soller slits Stern–Heald slits Lytle detector X-ray absorption spectroscopy For X-ray absorption spectroscopy, either in transmission mode with concentrated samples or for dilute samples in fluorescence mode, it is advantageous to improve the signal-to-noise ratio by implementing a slit apparatus. Several investigations into the improvement of measurements when slits and filters are employed have been reported; however, these have always been for a particular design and are not transferable between dissimilar systems. A generalized approach to Soller slit design will be presented which enables a target level of noise rejection to be achieved by varying the number, size and placement of the filter and Soller slit assembly. A procedure for determining the reduction in efficiency of the Soller slits with respect to misalignment with the sample will also be discussed. text/html Soller slit design and characteristics text 2 19 2012-01-07 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?rx5003 Protein X-ray structures are determined with ionizing radiation that damages the protein at high X-ray doses. As a result, diffraction patterns deteriorate with the increased absorbed dose. Several strategies such as sample freezing or scavenging of X-ray-generated free radicals are currently employed to minimize this damage. However, little is known about how the absorbed X-ray dose affects time-resolved Laue data collected at physiological temperatures where the protein is fully functional in the crystal, and how the kinetic analysis of such data depends on the absorbed dose. Here, direct evidence for the impact of radiation damage on the function of a protein is presented using time-resolved macromolecular crystallography. The effect of radiation damage on the kinetic analysis of time-resolved X-ray data is also explored. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Schmidt, M. Šrajer, V. Purwar, N. Tripathi, S. 2012-01-18 doi:10.1107/S090904951105549X International Union of Crystallography The effect of the X-ray dose on room-temperature time-resolved Laue data is discussed. EN radiation damage X-ray dose room temperature time-resolved crystallography Laue crystallography Protein X-ray structures are determined with ionizing radiation that damages the protein at high X-ray doses. As a result, diffraction patterns deteriorate with the increased absorbed dose. Several strategies such as sample freezing or scavenging of X-ray-generated free radicals are currently employed to minimize this damage. However, little is known about how the absorbed X-ray dose affects time-resolved Laue data collected at physiological temperatures where the protein is fully functional in the crystal, and how the kinetic analysis of such data depends on the absorbed dose. Here, direct evidence for the impact of radiation damage on the function of a protein is presented using time-resolved macromolecular crystallography. The effect of radiation damage on the kinetic analysis of time-resolved X-ray data is also explored. text/html The kinetic dose limit in room-temperature time-resolved macromolecular crystallography text 2 19 2012-01-18 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?wa5023 Using a two-crystal-interferometer-based phase-contrast X-ray imaging system, the portal vein, capillary vessel area and hepatic vein of live rats were revealed sequentially by injecting physiological saline via the portal vein. Vessels greater than 0.06 mm in diameter were clearly shown with low levels of X-rays (552 µGy). This suggests that in vivo vessel imaging of small animals can be performed as conventional angiography without the side effects of the presently used iodine contrast agents. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Takeda, T. Yoneyama, A. Wu, J. Thet-Thet-Lwin Momose, A. Hyodo, K. 2012-01-18 doi:10.1107/S0909049511056226 International Union of Crystallography The two-crystal-interferometer-based phase-contrast X-ray imaging technique enables in vivo hepatic vessel images of small animals to be visualized using only physiological saline and low X-ray dose. EN in vivo hepatic vessel imaging two-crystal interferometer phase-contrast X-ray technique physiological saline Using a two-crystal-interferometer-based phase-contrast X-ray imaging system, the portal vein, capillary vessel area and hepatic vein of live rats were revealed sequentially by injecting physiological saline via the portal vein. Vessels greater than 0.06 mm in diameter were clearly shown with low levels of X-rays (552 µGy). This suggests that in vivo vessel imaging of small animals can be performed as conventional angiography without the side effects of the presently used iodine contrast agents. text/html In vivo physiological saline-infused hepatic vessel imaging using a two-crystal-interferometer-based phase-contrast X-ray technique text 2 19 2012-01-18 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?pp5016 Core–shell X-ray emission spectroscopy (XES) is a valuable complement to X-ray absorption spectroscopy (XAS) techniques. However, XES in the hard X-ray regime is much less frequently employed than XAS, often as a consequence of the relative scarcity of XES instrumentation having energy resolutions comparable with the relevant core-hole lifetimes. To address this, a family of inexpensive and easily operated short-working-distance X-ray emission spectrometers has been developed. The use of computer-aided design and rapid prototype machining of plastics allows customization for various emission lines having energies from ∼3 keV to ∼10 keV. The specific instrument described here, based on a coarsely diced approximant of the Johansson optic, is intended to study volume collapse in Pr metal and compounds by observing the pressure dependence of the Pr Lα emission spectrum. The collection solid angle is ∼50 msr, roughly equivalent to that of six traditional spherically bent crystal analyzers. The miniature X-ray emission spectrometer (miniXES) methodology will help encourage the adoption and broad application of high-resolution XES capabilities at hard X-ray synchrotron facilities. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Pacold, J.I. Bradley, J.A. Mattern, B.A. Lipp, M.J. Seidler, G.T. Chow, P. Xiao, Y. Rod, E. Rusthoven, B. Quintana, J. 2012-01-19 doi:10.1107/S0909049511056081 International Union of Crystallography The design of inexpensive high-resolution X-ray emission spectrometers that are portable and have high collection efficiencies is described. This methodology is illustrated by the construction and commissioning of an instrument for observing the Pr Lα emission spectrum during a high-pressure study in a diamond anvil cell. EN X-ray emission spectrometer resonant X-ray emission spectroscopy high-energy resolution fluorescence detection volume collapse Core–shell X-ray emission spectroscopy (XES) is a valuable complement to X-ray absorption spectroscopy (XAS) techniques. However, XES in the hard X-ray regime is much less frequently employed than XAS, often as a consequence of the relative scarcity of XES instrumentation having energy resolutions comparable with the relevant core-hole lifetimes. To address this, a family of inexpensive and easily operated short-working-distance X-ray emission spectrometers has been developed. The use of computer-aided design and rapid prototype machining of plastics allows customization for various emission lines having energies from ∼3 keV to ∼10 keV. The specific instrument described here, based on a coarsely diced approximant of the Johansson optic, is intended to study volume collapse in Pr metal and compounds by observing the pressure dependence of the Pr Lα emission spectrum. The collection solid angle is ∼50 msr, roughly equivalent to that of six traditional spherically bent crystal analyzers. The miniature X-ray emission spectrometer (miniXES) methodology will help encourage the adoption and broad application of high-resolution XES capabilities at hard X-ray synchrotron facilities. text/html A miniature X-ray emission spectrometer (miniXES) for high-pressure studies in a diamond anvil cell text 2 19 2012-01-19 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?hi5626 Structural changes in Ni2P/MCM-41 were followed by quick extended X-ray absorption fine structure (QEXAFS) and were directly related to changes in X-ray absorption near-edge structure (XANES) which had been used earlier for the study of the active catalyst phase. An equation is proposed to correct the transient QEXAFS spectra up to second-order in time to remove spectral distortions induced by structural changes occurring during measurements. A good correlation between the corrected QEXAFS and the XANES spectral changes was found, giving support to the conclusions derived from the XANES in the previous work, namely that the formation of a Ni—S bond in a surface NiPS phase is involved in the active site for the hydrodesulfurization reaction. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Wada, T. Bando, K.K. Miyamoto, T. Takakusagi, S. Oyama, S.T. Asakura, K. 2012-01-27 doi:10.1107/S0909049512001197 International Union of Crystallography Direct observation of the NiPS active phase is discussed. EN EXAFS quick-EXAFS hydrodesulfurization operando XAFS Ni2P Structural changes in Ni2P/MCM-41 were followed by quick extended X-ray absorption fine structure (QEXAFS) and were directly related to changes in X-ray absorption near-edge structure (XANES) which had been used earlier for the study of the active catalyst phase. An equation is proposed to correct the transient QEXAFS spectra up to second-order in time to remove spectral distortions induced by structural changes occurring during measurements. A good correlation between the corrected QEXAFS and the XANES spectral changes was found, giving support to the conclusions derived from the XANES in the previous work, namely that the formation of a Ni—S bond in a surface NiPS phase is involved in the active site for the hydrodesulfurization reaction. text/html Operando QEXAFS studies of Ni2P during thiophene hydrodesulfurization: direct observation of Ni—S bond formation under reaction conditions text 2 19 2012-01-27 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation research papers 0 0 http://scripts.iucr.org/cgi-bin/paper?hf5192 Transmission X-ray microscopy (TXM) has been well recognized as a powerful tool for non-destructive investigation of the three-dimensional inner structure of a sample with spatial resolution down to a few tens of nanometers, especially when combined with synchrotron radiation sources. Recent developments of this technique have presented a need for new tools for both system control and data analysis. Here a software package developed in MATLAB for script command generation and analysis of TXM data is presented. The first toolkit, the script generator, allows automating complex experimental tasks which involve up to several thousand motor movements. The second package was designed to accomplish computationally intense tasks such as data processing of mosaic and mosaic tomography datasets; dual-energy contrast imaging, where data are recorded above and below a specific X-ray absorption edge; and TXM X-ray absorption near-edge structure imaging datasets. Furthermore, analytical and iterative tomography reconstruction algorithms were implemented. The compiled software package is freely available. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Liu, Y. Meirer, F. Williams, P.A. Wang, J. Andrews, J.C. Pianetta, P. 2012-01-05 doi:10.1107/S0909049511049144 International Union of Crystallography A suite of GUI programs written in MATLAB for advanced data collection and analysis of full-field transmission X-ray microscopy data including mosaic imaging, tomography and XANES imaging is presented. EN X-ray microscopy full-field tomography XANES imaging Transmission X-ray microscopy (TXM) has been well recognized as a powerful tool for non-destructive investigation of the three-dimensional inner structure of a sample with spatial resolution down to a few tens of nanometers, especially when combined with synchrotron radiation sources. Recent developments of this technique have presented a need for new tools for both system control and data analysis. Here a software package developed in MATLAB for script command generation and analysis of TXM data is presented. The first toolkit, the script generator, allows automating complex experimental tasks which involve up to several thousand motor movements. The second package was designed to accomplish computationally intense tasks such as data processing of mosaic and mosaic tomography datasets; dual-energy contrast imaging, where data are recorded above and below a specific X-ray absorption edge; and TXM X-ray absorption near-edge structure imaging datasets. Furthermore, analytical and iterative tomography reconstruction algorithms were implemented. The compiled software package is freely available. text/html TXM-Wizard: a program for advanced data collection and evaluation in full-field transmission X-ray microscopy text 2 19 2012-01-05 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation computer programs 0 0 http://scripts.iucr.org/cgi-bin/paper?wa5025 An integrated computer software system for on-site and remote collection of macromolecular crystallography (MX) data at the Canadian Light Source (CLS) is described. The system consists of an integrated graphical user interface for data collection and beamline control [MX Data Collector (MxDC)] which provides experiment-focused control of beamline devices, and a laboratory information management system [MX Laboratory Information Virtual Environment (MxLIVE)] for managing sample and experiment information through a web browser. The system allows remote planning and transmission of sample and experiment parameters to the beamline through MxLIVE, on-site or remote data collection through MxDC guided by information from MxLIVE, and remote monitoring and download of experimental results through MxLIVE. The system is deployed and in use on both MX beamlines at the CLS which constitute the Canadian Macromolecular Crystallography Facility. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Fodje, M. Janzen, K. Berg, R. Black, G. Labiuk, S. Gorin, J. Grochulski, P. 2012-01-26 doi:10.1107/S0909049511056305 International Union of Crystallography MxDC and MxLIVE, software packages for macromolecular crystallography data acquisition and on-line experiment information management, are described. EN macromolecular crystallography automation data acquisition remote access graphical user interface An integrated computer software system for on-site and remote collection of macromolecular crystallography (MX) data at the Canadian Light Source (CLS) is described. The system consists of an integrated graphical user interface for data collection and beamline control [MX Data Collector (MxDC)] which provides experiment-focused control of beamline devices, and a laboratory information management system [MX Laboratory Information Virtual Environment (MxLIVE)] for managing sample and experiment information through a web browser. The system allows remote planning and transmission of sample and experiment parameters to the beamline through MxLIVE, on-site or remote data collection through MxDC guided by information from MxLIVE, and remote monitoring and download of experimental results through MxLIVE. The system is deployed and in use on both MX beamlines at the CLS which constitute the Canadian Macromolecular Crystallography Facility. text/html MxDC and MxLIVE: software for data acquisition, information management and remote access to macromolecular crystallography beamlines text 2 19 2012-01-26 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation computer programs 0 0 http://scripts.iucr.org/cgi-bin/paper?hi5629 Currently there is no rack system for the long-term storage of SPINE pucks in spite of their commercial availability and heavy usage at the ESRF. The only way to store pucks is in transport dewar canisters which presents a number of limitations and drawbacks. Here a simple affordable rack for storing SPINE pucks is described, which we believe is accessible to not only synchrotrons but also both academic and industrial research laboratories. Copyright (c) 2012 International Union of Crystallography urn:issn:0909-0495 Bodin, C. Mauritzson, F. Horsefield, R. Aagaard, A. Guo, H. Öster, L. Wissler, L. Ek, M. 2012-01-28 doi:10.1107/S0909049511054689 International Union of Crystallography A simple affordable rack for storing SPINE pucks is described, a solution which is accessible to both synchrotrons and research laboratories alike. EN puck basket rack holder storage dewar vial loop crystallography X-ray crystal SPINE ESRF Currently there is no rack system for the long-term storage of SPINE pucks in spite of their commercial availability and heavy usage at the ESRF. The only way to store pucks is in transport dewar canisters which presents a number of limitations and drawbacks. Here a simple affordable rack for storing SPINE pucks is described, which we believe is accessible to not only synchrotrons but also both academic and industrial research laboratories. text/html Solutions for the storage and handling of SPINE standard pucks text 2 19 2012-01-28 Copyright (c) 2012 International Union of Crystallography Journal of Synchrotron Radiation laboratory notes 0 0