G01N23/2055

Methods for determining crystal structure and apparatus for carrying out the methods

The present invention relates to a method for determining the crystal structure of a crystal (4) capable of electron diffraction. The method includes the steps of obtaining a three-dimensional electron diffraction pattern and processing data from the electron diffraction pattern. The essence of the invention is that the method of determination consists in creating virtual diffraction frames containing a list of integrated scattered electron intensities. Subsequently, the dynamical diffraction theory is used in the data processing step. In another embodiment, the invention provides an apparatus capable of performing this method.

PROCESS FOR QUANTIFICATION OF METAL AMINO ACID CHELATES IN SOLUTIONS AND SOLIDS
20230071747 · 2023-03-09 ·

A process for quantifying the amount of unbound metal and bound metal in solution is provided. A process for quantifying the amount of bound metal amino acid chelate and free ligand in a solid (e.g., dry mixture such as an animal feed) is also provided.

PROCESS FOR QUANTIFICATION OF METAL AMINO ACID CHELATES IN SOLUTIONS AND SOLIDS
20230071747 · 2023-03-09 ·

A process for quantifying the amount of unbound metal and bound metal in solution is provided. A process for quantifying the amount of bound metal amino acid chelate and free ligand in a solid (e.g., dry mixture such as an animal feed) is also provided.

METHOD AND SYSTEM TO DETERMINE CRYSTAL STRUCTURE

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.

METHOD AND SYSTEM TO DETERMINE CRYSTAL STRUCTURE

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.

METHODS AND SYSTEMS FOR ACQUIRING THREE-DIMENSIONAL ELECTRON DIFFRACTION DATA

Crystallographic information of crystalline sample can be determined from one or more three-dimensional diffraction pattern datasets generated based on diffraction patterns collected from multiple crystals. The crystals for diffraction pattern acquisition may be selected based on a sample image. At a location of each selected crystal, multiple diffraction patterns of the crystal are acquired at different angles of incidence by tilting the electron beam, wherein the sample is not rotated while the electron beam is directed at the selected crystal.

METHODS AND SYSTEMS FOR ACQUIRING THREE-DIMENSIONAL ELECTRON DIFFRACTION DATA

Crystallographic information of crystalline sample can be determined from one or more three-dimensional diffraction pattern datasets generated based on diffraction patterns collected from multiple crystals. The crystals for diffraction pattern acquisition may be selected based on a sample image. At a location of each selected crystal, multiple diffraction patterns of the crystal are acquired at different angles of incidence by tilting the electron beam, wherein the sample is not rotated while the electron beam is directed at the selected crystal.

METHOD FOR THE DETECTION AND CORRECTION OF LENS DISTORTIONS IN AN ELECTRON DIFFRACTION SYSTEM
20220317068 · 2022-10-06 ·

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.

METHODS FOR COLLECTING ELECTRON DIFFRACTION PATTERNS
20230145297 · 2023-05-11 ·

Methods of collecting diffractionpatterns from a microcrystal having an ordered array of a molecule are disclosed, which nclude using an exposure rate of at most 0.02 electrons per square angstrom per second on the microcrystal and using a direct electron etector to record electron diffraction patterns. Also disclosed are methods of determining a structural model for a molecule, identifying a material present in a trace amount within a sample, identifying a polymorph, and identifying the stereochemistry of a molecule.

METHODS FOR COLLECTING ELECTRON DIFFRACTION PATTERNS
20230145297 · 2023-05-11 ·

Methods of collecting diffractionpatterns from a microcrystal having an ordered array of a molecule are disclosed, which nclude using an exposure rate of at most 0.02 electrons per square angstrom per second on the microcrystal and using a direct electron etector to record electron diffraction patterns. Also disclosed are methods of determining a structural model for a molecule, identifying a material present in a trace amount within a sample, identifying a polymorph, and identifying the stereochemistry of a molecule.