The invention is directed to a method for elucidating the three-dimensional structure of compounds by X-ray diffraction (X-ray SCD) characterized in that the compound is co-analyte crystallized with tetraaryladamantanes according to general formula I Wherein R and R′ are identical or different residues selected from the group consisting of O-R1, S-R1, NHR1, NR1R2, F, Cl, Br or I and R1, R2 stand for identical or different, substituted on not substituted aliphatic or aromatic residues having 1 to 25 carbon atoms and the the three-dimensional structure of the compound is obtained by X-ray diffraction (X-ray SCD).

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A sample holder (3) for performing X-ray analysis on a crystalline sample (11) comprises a mounting support with a first end that can be attached to a goniometer head, whereby the crystalline sample (11) can be attached to the mounting support at a distance to the first end. The sample holder (3) further comprises a holder base at the first end of the mounting support with means for mounting the holder base to the goniometer head, whereby the holder base is configured to fit into a well (2) of a well plate (1). The holder base comprises a ferromagnetic material for mounting the holder base to a magnetic base element at or within the goniometer head. The mounting support comprises a tube preferably made of glass into which the crystalline sample (11) can be inserted. The sample holder (3) can also comprise a base disk (14) that provides for a lid for a well (2) of the well plate (1) after insertion of the sample holder (3) into the well (2). The holder base can also comprise a holder ring (7) that is arranged at the first end of the mounting support and that surrounds the mounting support in a circumferential manner The base disk (14) can be removably attachable to the holder ring (7). A crystalline sponge is attached to the mounting support.

A single-piece hybrid droplet generator and nozzle component for serial crystallography. The single-piece hybrid droplet generator component including an internally-formed droplet-generation channel, an internally-formed sample channel, a nozzle, and a pair of electrode chambers. The droplet-generation channel extends from a first fluid inlet opening to the nozzle. The sample channel extends from a second fluid inlet opening to the droplet-generation channel and joins the droplet-generation channel at a junction. The nozzle is configured to eject a stream of segmented aqueous droplets in a carrier fluid from the droplet-generation channel through a nozzle opening of the single-piece component. The pair of electrode chambers are positioned adjacent to the droplet-generation channel near the junction between the droplet-generation channel and the sample channel. The timing of sample droplets in the stream of fluid ejected through the nozzle is controlled by applying a triggering signal to electrodes positioned in the electrode chambers of the single-piece component.

Molecular structure of a crystal may be solved based on at least two diffraction tilt series acquired from a sample. The two diffraction tilt series include multiple diffraction patterns of at least one crystal of the sample acquired at different electron doses. In some examples, the two diffraction tilt series are acquired at different magnifications.

A method for correcting distortion in a coherent electron diffraction imaging (CEDI) image induced by a projection lens makes use of a known secondary material that is imaged together with a sample of interest. Reflections generated from the secondary material are located in the image, and these observed reflections are used to approximate a beam center location. Using a known lattice structure of the secondary material, Friedel pairs are located in the image and unit cell vectors are identified. Predicted positions for each of the secondary material reflections are then determined, and the position differences between the observed reflections and the predicted reflections are used to construct a relocation function applicable to the overall image. The relocation function is then used to adjust the position of image components so as to correct for the distortion.

A method generates a crystalline orientation map of a surface portion of a sample. A crystalline orientation map represents crystalline orientations at a plurality of sample locations of the surface portion. The method comprises recording an image of the surface portion including a central location using particles of a charged particle beam directed to the surface portion and backscattering from the surface portion for each of a plurality of different orientation settings. Each of the orientation settings is defined by an azimuthal angle and an elevation angle under which the charged particle beam is incident onto the central location during the recording of the respective image. The method also includes generating the crystalline orientation map based on the recorded images.

A diffraction system for determining a crystalline structure of a sample collects a series of diffraction frames from a crystal sample illuminated by a beam of photonic or particulate radiation, such as X-rays. A plurality of software modules for processing the detected diffraction frames perform different tasks in refining the collected diffraction data, such as harvesting, indexing, scaling, integration, and structure determination. Output parameters from certain modules are used as input parameters in others, and are exchanged between the modules as they become available. The modules operate simultaneously, and generate successive versions of output parameters as corresponding input parameters are changed until a final result is achieved. This provides a system of structure determination that is fast and efficient.

A single-crystal X-ray structure analysis system capable of surely and easily performing a precise step of soaking a very small amount of a sample in a framework of a fine crystalline sponge, is provided. There are provided a soaking apparatus 500 and a single-crystal X-ray structure analysis apparatus, the single-crystal X-ray structure analysis apparatus comprising a sample holder that holds a sample, the sample holder comprising a porous complex crystal capable of soaking the sample in a plurality of fine pores formed therein; a goniometer that rotationally moves, the goniometer to which the sample holder is attached; an X-ray irradiation section that irradiates the X-rays from the X-ray source to the sample held by the sample holder attached to the goniometer; wherein the soaking apparatus 500 soaks the sample in the porous complex crystal of the sample holder.

It is enabled to surely attach a sample holder to a goniometer head with good reproducibility in a relatively easy manner, the sample holder holding a porous complex crystal where a single-crystal is soaked. There is provided a single-crystal X-ray structure analysis apparatus that performs a structure analysis of a material, the apparatus comprising a goniometer having a goniometer head 514 to which a sample holder 310 is attached, the sample holder holding a porous complex crystal where a sample is soaked; an X-ray irradiation section that irradiates the X-rays to the porous complex crystal whose position is adjusted with the goniometer head 514, wherein a positioning portion for positioning the sample holder 310 to be attached is formed on a surface of the goniometer head 514, the sample holder 310 being attached onto the surface.

A single-piece hybrid droplet generator and nozzle component for serial crystallography. The single-piece hybrid droplet generator component including an internally-formed droplet-generation channel, an internally-formed sample channel, a nozzle, and a pair of electrode chambers. The droplet-generation channel extends from a first fluid inlet opening to the nozzle. The sample channel extends from a second fluid inlet opening to the droplet-generation channel and joins the droplet-generation channel at a junction. The nozzle is configured to eject a stream of segmented aqueous droplets in a carrier fluid from the droplet-generation channel through a nozzle opening of the single-piece component. The pair of electrode chambers are positioned adjacent to the droplet-generation channel near the junction between the droplet-generation channel and the sample channel. The timing of sample droplets in the stream of fluid ejected through the nozzle is controlled by applying a triggering signal to electrodes positioned in the electrode chambers of the single-piece component.