A frame‐store pn‐junction CCD detector was applied to the energy‐dispersive X‐ray Laue diffraction study of a γ‐LiAlO2 crystal with white synchrotron radiation. Exploiting the simultaneous spatial and energy resolution of the detector the crystallographic unit cell of γ‐LiAlO2 could be determined without any a priori information about the sample. The potential for application in X‐ray structure analysis is tested by comparing experimental structure factors taken under a single exposure with those calculated from the known crystal structure. After correcting the measured spot intensities by angular and energy‐dependent parameters, the agreement between experimental and theoretical kinematical structure factors is better than 10%.

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A new approach to achieve sub-pixel spatial resolution in a pnCCD detector with 75 × 75 μm2 pixel size is proposed for X-ray applications in single photon counting mode. The approach considers the energy dependence of the charge cloud created by a single photon and its split probabilities between neighboring pixels of the detector based on a rectangular model for the charge cloud density. For cases where the charge of this cloud becomes distributed over three or four pixels the center position of photon impact can be reconstructed with a precision better than 2 μm. The predicted charge cloud sizes are tested at selected X-ray fluorescence lines emitting energies between 6.4 keV and 17.4 keV and forming charge clouds with size (rms) varying between 8 μm and 10 μm respectively. The 2 μm enhanced spatial resolution of the pnCCD is verified by means of an x-ray transmission experiment throughout an optical grating.

A crystal of hen egg‐white lysozyme was analyzed by means of energy‐dispersive X‐ray Laue diffraction with white synchrotron radiation at 2.7 Å resolution using a pnCCD detector. From Laue spots measured in a single exposure of the arbitrarily oriented crystal, the lattice constants of the tetragonal unit cell could be extracted with an accuracy of about 2.5%. Scanning across the sample surface, Laue images with split reflections were recorded at various positions. The corresponding diffraction patterns were generated by two crystalline domains with a tilt of about 1° relative to each other. The obtained results demonstrate the potential of the pnCCD for fast X‐ray screening of crystals of macromolecules or proteins prior to conventional X‐ray structure analysis. The described experiment can be automatized to quantitatively characterize imperfect single crystals or polycrystals.

This paper describes a novel method for fast online analysis of X-ray Laue spots taken by means of an energy-dispersive X-ray 2D detector. Current pnCCD detectors typically operate at some 100 Hz (up to a maximum of 400 Hz) and have a resolution of 384 × 384 pixels, future devices head for even higher pixel counts and frame rates.The proposed online data analysis is based on a computer utilizing multiple Graphics Processing Units (GPUs), which allow for fast and parallel data processing. Our multi-GPU based algorithm is compliant with the rules of stream-based data processing, for which GPUs are optimized. The paper's main contribution is therefore an alternative algorithm for the determination of spot positions and energies over the full sequence of pnCCD data frames. Furthermore, an improved background suppression algorithm is presented.The resulting system is able to process data at the maximum acquisition rate of 400 Hz. We present a detailed analysis of the spot positions and energies deduced from a prior (single-core) CPU-based and the novel GPU-based data processing, showing that the parallel computed results using the GPU implementation are at least of the same quality as prior CPU-based results. Furthermore, the GPU-based algorithm is able to speed up the data processing by a factor of 7 (in comparison to single-core CPU-based algorithm) which effectively makes the detector system more suitable for online data processing.

pnCCDs are a special type of charge coupled devices (CCD) which were originally developed for applications in X-ray astronomy. At X-ray Free Electron Lasers (XFEL) pnCCDs are used as imaging X-ray spectrometers due to their outstanding characteristics like high readout speed, high and homogeneous quantum efficiency, low readout noise, radiation hardness and high pixel charge handling capacity. They can be used both as single-photon counting detectors for X-ray spectroscopy and as integrating detectors for X-ray imaging with count rates up to 104 photons of 1 keV per pixel and frame. However, extremely high photon intensities can result in pixel saturation and charge spilling into neighboring pixels. Because of this charge blooming effect, spatial information is reduced. Based on our research concerning the internal potential distribution we can enhance the pixel full well capacity even more and improve the quality of the image. This paper describes the influence of the operation voltages and space charge distribution of the pnCCD on the electric potential profile by using 2D numerical device simulations. Experimental results with signal injection from an optical laser confirm the simulation models.

A frame store pn-junction CCD (pnCCD) detector was applied to study thermally induced interdiffusion in Fe/Pt thin film multilayers (MLs) in a temperature range between 300 and 585 K. Based on the energy resolution of the detector the reflectivity was measured simultaneously in a spectral range between 8 keV < E < 20 keV including the Pt L-edge energies close to 11.5 keV. Above T ¼ 533 K we find a strong drop of intensities at 1st and 2nd order ML Bragg peak interpreted by mutual interdiffusion. Considering a simulated model of interdiffusion it has been found that the concentration of iron that diffuses into the platinum sub layers is higher than that of platinum into iron. The time dependence of inter diffusion was also calculated in the range of 533-568 K and was described by the Arrhenius equation D(T) ¼ D 0 exp(ÀH a /k B T). The activation energy for the MLs used [Fe 1.7 nm/Pt 2 nm] 50 was found to be 0.94 AE 0.22 eV.

In this work the spectroscopic performance of a pnCCD detector in the ultra‐hard energy range between 40 and 140 keV is tested by means of an energy‐dispersive Laue diffraction experiment on a GaAs crystal. About 100 Bragg peaks were collected in a single‐shot exposure of the arbitrarily oriented sample to white synchrotron radiation provided by a wiggler at BESSY II and resolved in a large reciprocal‐space volume. The positions and energies of individual Laue spots could be determined with a spatial accuracy of less than one pixel and a relative energy resolution better than 1%. In this way the unit‐cell parameters of GaAs were extracted with an accuracy of 0.5%, allowing for a complete indexing of the recorded Laue pattern. Despite the low quantum efficiency of the pnCCD (below 7%), experimental structure factors could be obtained from the three‐dimensional data sets, taking into account photoelectric absorption as well as Compton scattering processes inside the detector. The agreement between measured and theoretical kinematical structure factors calculated from the known crystal structure is of the order of 10%. The results of this experiment demonstrate the potential of pnCCD detectors for applications in X‐ray structure analysis using the complete energy spectrum of synchrotron radiation.