MicroMAX at the first 4th generation storage ring [1] at MAX IV Laboratory is a new beamline providing the macromolecular crystallography field with a new powerful tool. The main applications are serial crystallography, time-resolved science, and micro-crystallography.
The X-ray beam at the sample, provided by a 156-period in-vacuum undulator, will have 1013 photons/second in monochromatic mode (5-25 keV energy range) and up to 1015 photons/second using a wider energy bandpass mode (10-13 keV energy range). The beam focusing will use compound refractive lenses with final focusing by either lenses or mirrors to give a focused beam down to 1 micrometer but flexible and easily tailored to the experimental needs.
The beamline will offer different sample delivery systems for serial crystallography, in particular fixed-target and injector-based systems but be flexible to accommodate other setups. In addition, the experiment setup will also provide a highly automated mode for oscillation data collection including a robotic sample changer. The setup will include a chopper providing short X-ray pulses (down to microseconds) and instrumentation for different time-resolved experiments. The detector stage will host two area detectors, a photon-counting and an integrating detector.
The possibility to combine all these different modes and instrumentation in a flexible way will allow to cater a wide range of experiments in structural biology including methods not yet developed.
The beamline will use the same experimental control system, MXCuBE3, and information management system, ISPyB, as the existing BioMAX beamline [2].
MicroMAX will have a laboratory for working with different sample environments and a laboratory for sample preparation. Additional infrastructures including a bio-laboratory and resources for data handling and analysis are shared with other beamlines. The beamline has a second experiment hutch that will be taken in operation at a later stage. It will allow preparation of specialized setups while experiments are done in the first hutch.
X-ray commissioning of MicroMAX is planned to start in 2022. MicroMAX is funded by the Novo Nordisk Foundation.
The MAX IV Laboratory macromolecular crystallography facilities include the BioMAX beamline in user operation since 2017 and the FragMAX fragment screening facility [3].
[1] Tavares, P. F., Al-Dmour, E., Andersson, A., Cullinan, F., Jensen, B. N., Olsson, D., Olsson, D. K., Sjöström, M., Tarawneh, H., Thorin, S. & Vorozhtsov, A. (2018). J. Synchrotron Rad. 25, 1291–1316. DOI:10.1107/S1600577518008111
[2] Ursby, T., Åhnberg, K., Appio, R., Aurelius, O., Barczyk, A., Bartalesi, A., Bjelčić, M., Bolmsten, F., Cerenius, Y., Doak, R. B., Eguiraun, M., Eriksson, T., Friel, R. J., Gorgisyan, I., Gross, A., Haghighat, V., Hennies, F., Jagudin, E., Norsk Jensen, B., Jeppsson, T., Kloos, M., Li-don-Simon, J., de Lima, G. M. A., Lizatovic, R., Lundin, M., Milan-Otero, A., Milas, M., Nan, J., Nardella, A., Rosborg, A., Shilova, A., Shoeman, R. L., Siewert, F., Sondhauss, P., Talibov, V., Tarawneh, H., Thånell, J., Thunnissen, M., Unge, J., Ward, C., Gonzalez, A. & Mueller, U. (2020) J. Synchrotron Rad. 27, 1415–1429. DOI:10.1107/s1600577520008723
[3] Lima, G.M.A., Talibov, V.O., Jagudin, E., Sele, C., Nyblom, M., Knecht, W., Logan, D.T., Sjögren, T. & Mueller, U. (2020) Acta Crystallogr D Struct Biol. 76, 771-777. doi: 10.1107/S205979832000889X

P11 at PETRA III in Hamburg is a versatile beamline for macromolecular crystallography (1). The photon energy can be adjusted between 5.5 - 28 keV with the possibility of using a CdTe-detector for higher energies (> 22 keV). Beam sizes are available between 200 x 200 μm and 4 x 9 μm with a maximum photon flux of 1e13 ph/s at 12 keV.

P11 is optimized for high-throughput crystallography. EIGER2 X 16M detector is fully integrated since spring 2021 and sample cycle of less than 2 min can be reached. The automatic sample changer at P11 is based on the unipuck format with a total capacity of 23 pucks (368 samples) and a mounting cycle of 20 s.

Remote access was established in spring 2020 and enabled fast-track access for SARS-CoV2 related projects (e.g. 1-4) and since May 2020, almost normal user operation, despite the pandemic restrictions.

The P11 setup in the experimental hutch is very flexible and allows to accommodate various non-standard experiments e.g. via the long term proposal (LTP) scheme. Serial crystallography at P11 is enabled with sample delivery through various types of solid supports or the tape-drive setup, which also enables time-resolved experiments by the mix-and diffuse method (5). Serial data collections are implemented as fast 2D scans or as series of rotation wedges in the graphical user interface; full integration of tapedrive experiments is in progress. OnDA (6) is available for real time evaluation of SSX data and implementation of real-time SSX processing is in progress within an LTP.

1. Rut et al. (2020) Nat. Chem. Biol., 2020
2. Qiao et al. (2021) Science 10.1126/science.abf1611
3. Oerlemans et al. (2021) RSC Medicinal Chemistry
4. Günther et al. (2021) Science 10.1126/science.abf7945
5. Beyerlein et al. (2017) IUCrJ 4:769
6. Mariani et. al. (2016) J. App. Cryst. 49:1073

Unattended X-ray data collection of macromolecules is in increasing demand by an ever more diverse research community, both academic and industrial, especially under the current situation of restricted access to research facilities due to the global pandemic. To better serve the user’s needs, and to allow automated and high-throughput operation, a sample changer that can perform autonomous crystal screening and data collection of up to 48 samples per session has been developed. The SCOUT sample changer centers the sample initially by means of visual loop centering in conjunction with feature recognition algorithms. In the case of opaque samples, centering by means of orthogonal X-ray scans can also be performed. The samples are kept safe in a custom designed, twin dewar system to minimize ice buildup upon storage and operation, while the six-axis, collaborative robotic arm is mounted on the enclosure ceiling to ensure a minimal footprint during manual operation. The system can be fitted to any D8VENTURE platform providing an exciting upgrade path to existing laboratory hardware. A comprehensive software package completes the system providing fully customizable, automatic routines for crystal screening, strategy determination, data collection and further downstream data processing.

Macromolecular crystallography instruments around the world are mostly set on a single or handful of configurations. These makes them more predictable and more reliable. At the same time, current throughput demand on MX beamlines squeezes more and more the time for a careful regular maintenance and calibration of the instrument. The latter is extremely important to maximize data quality, protect equipment from failure and detect degradation that can lead to both degradation of performance and unexpected component breakdown down the track with consequence loss of beam hours. Across the world instrument scientists and software engineers have, with success, automated the daily setup & calibration but often neglected the need for quality control (QC) database recording. Proper QC systems allow a maintenance record of checks with numerous advantages namely: optimizing time by not doing all tests everyday but also guaranteeing that certain tests are done in regular intervals; plot beamline degradation or improvements particularly when new software or hardware is implemented; guarantee that beamline performance is not dependent of synchrotron staff doing the checks because they are all done the same way and recorded the same way; help train new staff into instrument scientist positions and many others. Here we present the next generation of a software tool initially developed at the Australian Synchrotron [1] in Python 2 and using QT 4 but recently re-written with more modern software with Python 3 and QT 5 (DLS internal Gitlab). It is currently in beta tests at Diamond Light Source i04 [2] beamline. The tool attempts to represent the checks currently done (Figure 1a) using visual cues pointing to when the check was last performed as well as provide some guidance on how to do the step-by-step checks. It will then database and file record the result of that check for future reference, tracking and baseline QC (Figure 1 b-c).

The DanMAX beamline [1] located at the diffraction limited storage ring at the MAX IV synchrotron facility [2] and is under commissioning. The beamline is designed to be highly versatile and perform both PXRD and full-field imaging experiments in the energy range 15-35 keV. The very brilliant X-ray source (3m IVU16) and a flexible optics system allows for three different band pass modes, ∆E/E ~ 10^-4, 5*10^-3 & 10^-2, and focusing of the beam from ~10 µm up to ~ 1 mm.

DanMAX will have two instruments for PXRD. The first one is equipped with a DECTRIS PILATU3 X 2M CdTe area detector and a silicon drift detector for simultaneous diffraction and X-ray fluorescence spectroscopy. The detector positioning stage will offer large flexibility in both sample to detector distance and in detector tilt to increase the attainable Q range. The instrument is built around a Symétrie Breva hexapod that can accommodate bulky sample environments weighing up to 200 kg. A wide range of sample environments will be available at the beamline. Open standards will be available, both mechanical and software, for fast and easy integration of custom-built sample environments at the beamline. This instrument is expected to be available to users in 2021.

A high resolution instrument will be added in 2022. This instrument will use microstrip detectors and have a large angular coverage. This will enable fast experiment with high resolution. It is planned to start a mail in program for rapid access to this instrument. The instrument will thus be equipped with a robotic sample changer and use computer vision to align the samples, thus ensuring the optimal data quality.

[1] www.maxiv.lu.se/danmax

[2] Tavares, P. F., Leemann, S. C., Sjöström, M. and Anderson, Å. J. Synchrotron Rad., 2014, 21, 862-877.

The structure determination on ever smaller and weakly diffracting crystals is one of the biggest challenges in the development of in-house X-ray analytical equipment for chemical and biological crystallography, which continuously raises the requirements for modern X-ray sources and detectors. Nowadays, modern low power microfocus X-ray sealed tube sources define the state-of-the-art for most in-house X-ray diffraction equipment, as they deliver intensities in the range of rotating anodes, yet maintain all the comfort of a sealed tube system.

Throughout the past years, we have continuously explored the physical limitations of impact ionization sources in order to find ways to push or even overcome some of the limitations, such as the heat transfer in the anode, leading to brighter X-rays sources with solid targets. The brightness of an X-ray tube is mainly limited by the thermal conductivity of the bulk anode material. As the thermal conductivity of diamond is up to about 5 times higher than that of copper and the highest known conductivity of all bulk materials [1], industrial diamond is increasingly replacing traditional materials for the thermal management in challenging applications [2], in which a high local heat load needs to be dissipated, such as in heat sinks for high-power microelectronic devices [3, 4]. In X-ray sources, diamond can be used as a heat sink directly coupled to the anode material, resulting in a significantly higher thermal conductivity compared to a conventional metallic anode and, hence, allowing for an increase in tube brilliance by applying a higher power load on the anode [5].

As a result of our efforts, we recently introduced a unique new class of microfocus sealed tube X-ray sources that uses a novel anode technology, the diamond hybrid anode [6]. It consists of a thin layer of metal deposited onto a bulk industrial diamond which acts as a heat spreader and significantly improves the heat dissipation in the anode. Consequently, the anode can accept a higher power density in the focal spot on the target without damaging the surface of the target layer. The balanced heat management allows the source to be air-cooled, while assuring that the intensity loss over time is only a few percent over 10,000 h of full power operation, which is significantly lower than the intensity degradation observed for microfocus rotating anodes [7, 8]. Along with this, optimizing the take-off angle of the anode and the filament parameters of the cathode to match the requirements of the X-ray optics enables a significant increase in the intensity on the sample. In combination with the latest developments in multilayer mirror technology, the IµS delivers an intensity in the range of 1·10¹¹ phts/s/mm² with a divergence that matches the typical mosaicity of weakly diffracting samples. Therefore, the IμS DIAMOND combines the performance of a modern 1 kW microfocus rotating anode with all the comfort of a conventional microfocus sealed tube source.

We will be reviewing the latest innovations in microfocus sealed tube X-ray sources and multilayer optics and be presenting selected results from protein and pharmaceutical crystallography that demonstrate the impact of these recent developments on the data quality.

[1] Moore, A.L. & Shi L. (2014). Materials Today 17, 163.

[2] Dischler B. & Wild C. (1998). Low-Pressure Synthetic Diamond Manufacturing and Applications. Berlin: Springer.

[3] Obeloer T., Bolliger B., Han Y., Long Lau B., Tang G. & Zhang X. (2015). IMAPS, 1.

[4] Pu S., Luo W., Shuai Y., Wu C. & Zhang W. (2016). ICMIA, 184.

[5] Li X., Wang X., Li Y. & Liu Y. (2020). Materials 13, 241.

[6] Durst R. D., Michaelsen C., Radcliffe P. & Schmidt-May J. (2020). US Patent 10,847,336.

[7] Mehranian A., Ay M. R., Riyahi Alam N. & Zaidi H. (2010). Med. Phys. 37, 742.

[8] Kákonyi R., Erdélyi M. & Szabó G. (2010). Med. Phys. 37, 5737.

In-situ synchrotron powder diffraction experiments under a gas atmosphere are one of the most powerful tools used to investigate the crystal structure and to characterize materials function or the applications of gas storage and separation materials. However, in most cases, the information of crystal structures was limited to the static conditions. To understand the overall materials functions to improve thermodynamic and kinetic gas separation properties and storage capacity, it is important to observe continuous structural changes under gas adsorption, desorption and reaction processes. Therefore, we developed new gas handling system [1]. This system can control gas- and vapor-pressure synchronized with the continuous data acquisition of millisecond temporal-resolution high-resolution powder diffraction measurements. However, for the high-speed powder diffraction measurement, it is difficult to obtain uniform Debye-Scherrer ring intensity data if the powder sample has large size and/or non-uniform particles. This difficulty is come from an instrumental limitation that the gas cell mounted on diffractometer cannot be rotated during the measurement due to stainless tube to introduce gas to the sample.

To solve this problem, we have developed a new high-speed spinner for in-situ powder diffraction under controlling gas pressure at the beamline BL02B2 at SPring-8 [2]. The high-speed spinner mainly consists of a gas cell to hold the glass capillary with double O-rings, a contactless magnetic fluid seal, a brushless motor, and the bearings. The translation and tilt stages are also equipped on the spinner for the alignment of glass capillary sample. The rotation speed can be set to 200 r.p.m. for standard use, and further development of the spinner is currently underway to achieve up to 1000 r.p.m. The various gas species except water and oil are available, and absolute pressure from 1 Pa to 130 kPa can be controlled.

Using the developed high-speed capillary spinner cell and gas handling system, we have demonstrated in-situ and time-resolved powder diffraction measurements for a nanoporous Cu coordination polymer [3], which has a pillared layer structure containing one-dimensional nanochannels with dimensions of 0.4 nm x 0.6 nm along the a-axis, with large particle size of approximately 20 microns. A two-dimensional flat-panel detector (XRD3025) was used as X-ray detector, and 50 frames of continuous powder diffraction data was obtained in temporal resolution of 0.33 seconds. We tested the evaluation of the diffraction intensity during spinning of capillary sample. On the conditions of high rotation speed with 200 r.p.m., the difference of 5 % between maximum and minimum peak intensity was observed. On the other hand, on the conditions of low rotation speed with 25 r.p.m, twice variation of the peak intensity was observed in diffraction data of 50 frames. In this case, the measurement was performed for a sample with large particles. Moreover, we collected time-resolved diffraction patterns in the Ar gas adsorption process for nanoporous Cu coordination polymers with different particle sizes of approximately 1, 5, and 20 microns, respectively. As a result, this developed spinner allows to give uniform Debye-Scherrer ring intensity even in sub-second time-resolved data, where the particle size is possibly smaller than that of 5 microns. The results also show that the transition speed from desorption to adsorption phase is highly dependent on the particle size as well as the introduction of gas pressure and temperature. In this presentation, we will show that the mechanism and concept of high-speed capillary spinner cell for in-situ powder diffraction under control of gas atmosphere, and will display the results of the time-resolved powder diffraction measurements for nanoporous Cu coordination polymers under various Ar gas adsorption processes.

[1] Kawaguchi, S., Takemoto, M, Tanaka, H., Hiraide, S., Sugimoto, K., & Kubota, Y. (2020). J. Synchrotron Rad. 27, 616-624.
[2] Kawaguchi, S., Takemoto, M., Osaka, K., Nishibori, E., Moriyoshi, C., Kubota, Y., Kuroiwa, Y. & Sugimoto, K. (2017). Rev. Sci. Instrum. 88, 085111.
[3] Kitaura, R., Matsuda, R., Kubota, Y., Kitagawa, S., Tanaka, M., Kobayashi, C. T. & Suzuki, M. (2005). J. Phys. Chem. B, 109, 23378–23385.

This research was supported by KAKENHI Grant Nos. (20H04466, 20H02575, 19KK0132). The synchrotron radiation experiments were performed at beamline BL02B2 of SPring-8 with the approval of the Japan Synchrotron Radiation Research Institute (JASRI) (Proposal Nos. 2019B2094, 2020A2132, and 2021A0068). The authors thank Professor K. Otake and Professor S. Kitagawa for their assistance with the preparation of the samples.

Molecular structure determination plays an important role both in fundamental and applied sciences such as organic chemistry, inorganic chemistry, biochemistry, drug discovery, and material chemistry, etc.

A number of analytical methods are routinely used to determine molecular structure: nuclear magnetic resonance (NMR), mass spectrometry (MS), infrared absorption spectroscopy (IR), X-ray diffractometry (XRD), and so on. In particular, single-crystal X-ray structure (SC-XRD) analysis is the most effective method to obtain a detailed and overall three-dimensional molecular structure of a molecule. However, it is generally believed that single crystal analysis takes a relatively long time, and requires a large crystal and information of elemental composition.

A combination of "PhotonJet-R (rotating anode X-ray generator + newly designed optic)" and "HyPix-6000HE (Hybrid Photon Counting detector)" has achieved high brightness and noise-free shutterless data collection in an in-house instrument for the latest SC-XRD analysis.

By the recent progress of the elemental technology, we came to be able to get structure of a single crystal in the order of a few mm in an in-house instrument. Furthermore, evolution of the software enabled automatic measurement and analysis without any expertise.

We determined precise crystal structure of agrochemical products microcrystalline powders using “What is this?” (WIT) experiment without any elemental information[1]. The WIT combined with the latest SC-XRD system provides the best way to obtain unambiguous structural information from microcrystalline powders (Fig. 1).

The capillary mounting of single crystals can be necessary under some circumstances prior to X-ray diffraction experiments. When crystals are air-sensitive or may undergo a desolvation, a deterioration of the samples may be observed over time which will affect the data quality during measurements. Using protective vacuum oil and working at low temperature help slowing down crystal quality decay, however capillary mounting offers a better air protection by isolating the samples [1-2]. This kind of mounting may also offer a protection of the experimenter when the crystalline compounds exhibit health hazard, it is then relevant for a better respect of hygiene and safety rules in lab workspaces.

Capillary mounting requires patience and dexterity, and so can be a matter of apprehension. Its success rate will strongly depend on the capillary size and the operator’s experience. Some methods have been suggested in literature [3-4]. However, to prepare a series of samples, the required work is time demanding and a significant fraction of crystals may be lost.

In this work, a home-made setup for capillary mounting is described. A crystal sample mounted on the top of a glass fibre can be slid in a capillary with an inner diameter smaller than 1 mm. The capillary mounting is manually performed thanks to a micrometric translation stage and a goniometer head with five degrees of freedom Rx, Ry, X, Y, Z. The operation is monitored using a small numerical microscope with its output displayed on computer screen by a simple program written in Python.

Materials under extreme conditions of radiation and temperature, as in nuclear facilities, need to be tested and analysed to understand the neutron-induced microstructural defects that might affect their mechanical properties at macroscale and thus affect the material performance. X-ray diffraction (XRD) is a widely use technique for structural characterization of materials in a bulk or powder form. Special care must be taken when manipulating radioactive material, specially in a powder form, since it can lead to unwanted radioactive contamination [1, 2]. Therefore, the handling and milling of radioactive materials (e.g. minerals-rocks, concrete) is carried inside of a hermetically sealed shielded glovebox under negative pressure [3]. Milling in ethanol of the bulk material was performed using an oscillating ball mill, producing a fine powder (after air-drying) with an average particle size of 4 microns, “wet” milling offers the advantage to produce a powder with an homogeneous size distribution and also to avoid the dispersion of the radioactive dust into the air. Radioactive samples for XRD analysis must fulfil two requirements: 1) small size to avoid excessive irradiation, and 2) a contention barrier between the sample and its surroundings to avoid radioactive contamination due to leaking of powder. To meet those requirements a drop-casting of material (approx. 15 mg) onto PEEK foil (6 µm) has been chosen as a suitable option. After air-drying of the sample, it is covered with a second layer of foil and sealed with fast-drying glue to avoid powder leaking. The thus prepared sample is now ready for XRD analysis in transmission mode [4]. The data collection is performed using a multipurpose diffractometer (Empyrean from Malvern-PANalytical) with a Co X-ray tube, the diffractometer posses a magazine and a robotic arm for automatic loading of samples, besides it can be operated remotely reducing the exposition to radiation of the operator. With the described procedure phase identification, quantification of amorphous content using the internal-standard method, and monitoring of changes in lattice parameters of the identified crystalline phase can be safely performed on radioactive samples.

One applicative example was the study of aggregates (majorly quartz, > 90 wt.%) under different levels of neutron fluences (up to 10²⁰ n/cm²). Where it was observed a progressive amorphization of quartz from 9 wt.% to 76 wt.%, at the same time volumetric expansion of the unit cell was observed (up to 11%), as both axes a and c increased with the neutron fluence. Crystal density (g/cm³), calculated from the previously calculated lattice parameters, decreases (-10%) with the increase of neutron fluence irradiation.

In summary, the developed methodology represents an easy and affordable way to study the irradiated materials at laboratory scale.

X-ray based analysis techniques play a crucial role in a vast range of academic and industrial research areas. These include fields as diverse as pharmaceutical research, geology, building materials, materials science, specialty chemicals, and the life sciences. X-ray based methods can be advantageous over complementary methods such as electron microscopy due to the minimum need for sample preparation, the non-destructive nature of X-rays, and the possibility to work under both ambient and non-ambient conditions (in-situ studies). In addition, different techniques such as XRD and SAXS may both be used together to give complementary information which allows a more in-depth understanding of the sample in question and its properties.

As a manufacturer of X-ray sources, advanced X-ray optics, XRD equipment, and SAXS instruments, this poster will present the latest developments in X-ray analysis equipment from Anton Paar which further extend the capabilities of in-house X-ray based measurements under both ambient and non-ambient conditions.

About 100 years ago, one of the first non-ambient studies was done on resistively heated wires to observe property changes with regard to the transition from α- to β-iron [1] using X-ray diffraction (XRD). At this time, the first ever high-temperature camera was developed for this purpose. This milestone opened the fascinating discipline of non-ambient XRD and since then the changing physical, chemical and mechanical material properties from standard to non-ambient conditions could be studied in-situ.

When exposing sample materials to non-ambient conditions, their properties (chemical, physical,..) may significantly change, frequently leading to a completely different behavior of the material. Due to this, intensive studies have to be performed in order to obtain material properties over the complete range of possible non-ambient conditions.

Non-ambient X-ray diffraction is a versatile tool to study processes linked to variable non-ambient conditions (temperature, pressure, gas environments, relative humidity, electrical and magnetic fields, mechanical load,…). Besides its relevance for conducting research, this knowledge is essential for optimizing technical processes and performing quality control in industry.

Anton Paar is the market leader in non-ambient XRD instrumentation and is continuously striving to optimize the design and set-up of commercially available non-ambient XRD stages. This poster will highlight the possibilities of setting up non-ambient XRD experiments, how to enhance the data quality of your experiment, and what needs to be considered when performing a non-ambient XRD experiment.

[1] Westgren, A., Lindh, A. E. (1921). I. Z. Phys. Chem. 98, 181.

In 2016 at Helmholtz-Zentrum Berlin, an X-ray user lab with various powder diffraction methods was founded and subsequently extended. The lab covers X-ray methods for standard powder diffraction, thin film analysis (grazing incidence, texture and epitaxial analysis) and diffraction experiments under non-ambient conditions (vacuum, nitrogen, temperatures from 12 K up to 1400 K). Besides experimental options the lab hosts X-ray diffraction schools for beginners (two weeks) consisting of general introduction into X-ray diffraction combined with hands-on experiments, and newly, a Rietveld school for advanced users (one week) covering introduction into crystallography, databases, and structural analysis applying the Fullprof suite [1]. The lab is open to users of all materials research disciplines and free of charge for non-profit organisations. The proposed contribution will illustrate the possibilities of the lab.

Materials Growth and Measurement Laboratory (MGML) is the open research infrastructure in Prague, Czech Republic. MGML offers an open access for external users to the instrument suite dedicated to preparation, characterization and measurement of physical properties of materials. The MGML technology facilities are enabling controlled synthesis of high-quality samples (single crystals and polycrystals) of various types of materials, detailed phase and structural characterization using a unique suite of X-ray diffractometers and measurements of a rich spectrum of physical properties of materials in a wide range of temperatures, magnetic and electrical fields, and hydrostatic uniaxial pressures.

MGML provides to its users advanced structural analysis in a wide tempreature range, focused on studies of single-crystals, bulk, polycrystalline, nanocrystalline, amorphous and organometallic materials, as well as on the investigation low-dimensional system as thin polycrystalline and epitaxial layers, multilayers, quantum dots, wires and tubes.

Researchers interested in using the MGML instrumentation are invited to submit experimental proposals via the User Portal on mgml.eu. The discussion with local contact(s) is recommended prior to submission. The proposals will be evaluated by the MGML Panel.

As a result of the TEAM-TECH Core Facility Project from the Foundation for Polish Science, we have established the Core Facility for Crystallography and Biophysics (CFCB) at the Biological and Chemical Research Centre, University of Warsaw, under the supervision of Professor Krzysztof Woźniak (Head) and Jan Kutner, Ph.D. (Deputy Manager).

The Core Facility services (Figure 1) are focused on the analysis of proteins and small molecule compounds leading to crystallization trials for academic and commercial users. The project enables studies of challenging biochemical and pharmaceutical problems, with an emphasis on drug development. Research at CFCB is carried out in an interdisciplinary way, including both wet biology (“BIO”) and chemical crystallography (“CHEM”) techniques as well as theoretical approaches including structure modelling, bioinformatics and computational methods. Biology and chemistry team members work in synergy complementing their knowledge, skills and experience. Apart from services and collaborations, postdoctoral and Ph.D. researchers carry out their research projects dedicated either to small-molecule or protein crystallography.

Figure 1. The main pipelines of the CFCB

Work in the Facility includes collaboration with other research groups and biotech/pharmaceutical companies, such as the WPD Pharmaceuticals, Cellis, Leaderna Biostructures, OncoArendi Therapeutics, Pikralida, Bio-Rad and Innvigo.

Moreover, we cooperate with Dr. Sebastian Glatt and Dr. Przemysław Grudnik (Structural Biology Core Facility, Jagiellonian University, Cracow) under the TT CF extension concerning the commercial aspects (The Integrative Platform for Accelerated Drug Discovery – IPADD).
We are open to different forms of collaborations with individual researchers, research groups, or biotech/pharma companies.

Acknowledgments
The project is supported by Foundation for Polish Science/European Union under the European Regional Development Fund (TEAM TECH CORE FACILITY/2017-3/4, POIR.04.04.00-00-31DF/17-00)"

The first generation of the SmartLab XRD multipurpose diffractometer was launched in 2008. It involved immense effort from Rigaku engineers, X-ray scientists and application experts aiming to deliver a multifunctional XRD instrument to cover wide range of X-ray scattering techniques in the lab environment. 10 years later, after the success of the first SmartLab, Rigaku released the new generation of SmartLab, implementing newest solutions and technologies based on scientific and industrial demands fulfilling users’ needs and requests. This overview presentation provides an update of the new solutions implemented in the second generation of SmartLab resulting in substantial extension of applicability of the instrument.

In addition to standard Powder and Thin Film XRD applications, the new SmartLab has been updated with a new family of Cross Beam Optics (CBO), Goebel’s mirror equivalent, which includes elliptical mirror CBO-E, and flat mirror CBO-α for different wavelengths including Cu, Mo, and Ag. In addition, an X-ray polycapillary unit CBO-f and confocal mirror set CBO-μ has been designed for micro-area testing utilizing focused beams of 400 μm and 50 μm respectively.

Furthermore, newly designed sample attachments along with the appropriate optical set, enable uncompromised SAXS, WAXS, GISAXS and GIWAXS measurements that require utilization the large 2D acquisition area. The requirement of 2D data collection over large angular space is fulfilled with in-house development and manufacturing of HyPix400 and HyPix3000 2D detectors characterized by outstanding dynamic range (>2Mcps/pixel), read out speed (zero dead-time) and robustness. Due to their unique technology HyPix detectors do not require primary X-ray beam attenuation and can be safely used with strong beams, including exposure to the direct beam from a 9kW X-ray source.

The Differential Scanning Calorimetry (DSC) and reaction sample chamber (Reactor X) for in-situ studies is of particular interest to research scientists. This instrument set-up is ideal for examining phase transitions under alternating temperature and humidity as the results can be directly observed when combining XRD and DSC in one experiment. Materials transformations in an atmosphere of reactive gases (mixtures of gases, or also in air or vacuum) may be studied using Reactor X which is capable to elevate temperature up to 1000^oC with ultra-rapid ramp rate. Additionally, following high demand in investigations of energy storage materials, Rigaku has designed a set of battery attachments for reflection and transmission geometries for in-operando experiments.

New optics, sample attachments and developments in detector technology have enabled the SmartLab to achieve best-in-class experiments for Powder XRD and Thin Film structural analysis, phase transitions, Small- and Wide-Angle X-ray Scattering, PDF, micro-area testing, pharmaceutical research, applications for steels, alloys, and multifunctional materials.