Abstract: A processing apparatus, a system, a method and a program for applying non-negative matrix factorization to one or more measured profiles of X-ray powder diffraction based on known information are provided. A processing apparatus for applying non-negative matrix factorization to a measured profile of X-ray powder diffraction comprises a measured profile acquiring section for acquiring one or more measured profiles, a known information acquiring section for acquiring known information including a shape of a predetermined profile corresponding to a background or a predetermined substance included in the measured profile, or a restriction of a coefficient matrix of the predetermined profile, and a decomposition section for applying non-negative matrix factorization to the measured profile based on the known information.

Abstract: According to an aspect of the present invention, provided is an information processing apparatus comprising a memory configured to store a program; and a processor configured to execute a program so as to output a parameter result in relation to a thin film by inputting a profile result in relation to an intensity of X-ray from the thin film to a neural network, wherein the neural network is a neural network that is allowed to machine-learn teacher data using profile data in relation to an intensity of X-ray from a thin film as input data and using parameter data in relation to the thin film as output data.

Abstract: According to an aspect of the present invention, provided is an information processing apparatus, comprising: a processor configured to execute a program so as to output a diagnostic result diagnosing an analysis profile result by inputting an input profile result in relation to an intensity of X-ray from a thin film and the analysis result of the input profile result to a neural network, wherein the neural network is a neural network that is allowed to machine-learn teacher data using input profile data in relation to an intensity of X-ray from a thin film and analysis profile data obtained from the input profile data as input data, and using diagnostic data obtained by diagnosing the analysis profile data as output data.

Abstract: A quantitative analysis apparatus, a method, a program, and a manufacturing control system are provided. A WPPF section 320 for determining parameters of theoretical diffraction intensity by performing whole powder pattern fitting with respect to an X-ray diffraction profile to be analyzed, a scale factor acquiring section 325 for acquiring a scale factor of a test component among the determined parameters, a calibration curve storing section 350 for storing a calibration curve indicating a correlation between scale factors of the test component acquired with respect to a standard sample and content ratios of the test component in the standard sample, and a conversion section 370 for converting the scale factor of the test component acquired with respect to an objective sample into the content ratio of the test component in the objective sample using the stored calibration curve, are comprised.

Abstract: An analysis apparatus, an analysis method, and an analysis program by which even unskilled ones can perform quantitative analysis of a composition of high-performance cement with high precision.

Abstract: Provided are an operation guide system, an operation guide method, and an operation guide program, which are capable of allowing a user to easily understand measurement of an X-ray optical system to be selected. A quantitative phase analysis device includes qualitative phase analysis result acquisition means for acquiring information on a plurality of crystalline phases contained in a sample, and weight ratio calculation means for calculating a weight ratio of the plurality of crystalline phases based on a sum of diffracted intensities corrected with respect to a Lorentz-polarization factor, a chemical formula weight, and a sum of squares of numbers of electrons belonging to each of atoms contained in a chemical formula unit, in the plurality of crystalline phases.

Abstract: Provided are a processing method, a processing apparatus and a processing program which can perform pole figure measurement continuously without overlapping of an angle a in a pole figure with the small number of times of ? scan, thereby enabling the efficient measurement. The processing method for determining conditions of pole figure measurement by X-ray diffraction, includes the steps of. receiving input of a diffraction angle 2?; and determining an angle ? formed by an incident X-ray and an x-axis, and a tilt angle ? of a sample in each ? scan for a rotation angle ? within a sample plane so as to make a range of an angle a continuous from ?=90° to ?=0° without overlapping, the angle ? being formed by the sample plane and a scattering vector, the range of the angle ? are detectable at a time on a two-dimensional detection plane in the pole figure measurement at the diffraction angle 2?, in which determining the angle ? and the tilt angle ? is repeated.

Abstract: A method for displaying measurement results from X-ray diffraction measurement, in which a sample is irradiated with X-rays and the X-rays diffracted by the sample are detected by an X-ray detector, comprises: (1) forming a one-dimensional diffraction profile by displaying, on the basis of output data from an X-ray detector, a profile in which one orthogonal coordinate axis shows 2? angle values and another orthogonal coordinate axis shows X-ray intensity values; (2) forming a two-dimensional diffraction pattern by linearly displaying X-ray intensity data, for each 2? angle value and on the basis of output data from the X-ray detector; the X-ray intensity data being present in the circumferential direction of a plurality of Debye rings formed at each 2? angle by diffracted X-rays; and (3) displaying the two-dimensional diffraction pattern and the one-dimensional diffraction profile so as to be aligned such that the 2? angle values of both coincide with each other.

Abstract: Provided are operation guide system for X-ray analysis to enable users to easily understand measurement of X-ray optical system to be selected. The operation guide system includes: measurement information acquisition unit for acquiring information on a sample and each X-ray measurement optical system part; sample magnification acquisition unit for acquiring magnification for display; incident X-ray shape deformation unit for determining distorted shape of an incident X-ray obtained by magnifying shape of the incident X-ray based on the magnification in a plane perpendicular to an optical axis direction; scattered X-ray shape deformation unit for determining distorted shape of a scattered X-ray obtained by magnifying shape of the scattered X-ray based on the magnification in the plane; and X-ray measurement optical system modeling unit for modeling a deformed shape of the sample, the distorted shape of the incident X-ray, and the distorted shape of the scattered X-ray.

Abstract: A method for displaying measurement results from X-ray diffraction measurement, in which a sample is irradiated with X-rays and the X-rays diffracted by the sample are detected by an X-ray detector, comprises: (1) forming a one-dimensional diffraction profile by displaying, on the basis of output data from an X-ray detector, a profile in which one orthogonal coordinate axis shows 2? angle values and another orthogonal coordinate axis shows X-ray intensity values; (2) forming a two-dimensional diffraction pattern by linearly displaying X-ray intensity data, for each 2? angle value and on the basis of output data from the X-ray detector; the X-ray intensity data being present in the circumferential direction of a plurality of Debye rings formed at each 2? angle by diffracted X-rays; and (3) displaying the two-dimensional diffraction pattern and the one-dimensional diffraction profile so as to be aligned such that the 2? angle values of both coincide with each other.

Abstract: An analysis apparatus, an analysis method, and an analysis program by which even unskilled ones can perform quantitative analysis of a composition of high-performance cement with high precision.

Abstract: A crystalline phase contained in a sample is identified, from X-ray diffraction data of the sample which contain data of a plurality of ring-shaped diffraction patterns, using a database in which are registered data related to peak positions and peak intensity ratios of X-ray diffraction patterns for a plurality of crystalline phases. Peak positions and peak intensities for a plurality of the diffraction patterns are detected from the X-ray diffraction data (step 102), and the circumferential angle versus intensity data of the diffraction patterns is created (step 103). The diffraction patterns are grouped into a plurality of clusters on the basis of the circumferential angle versus intensity data (step 105). Crystalline phase candidates contained in the sample are searched from the database on the basis of sets of ratios of peak positions and peak intensities of the diffraction patterns grouped into the same cluster (step 106).

Abstract: Provided are an operation guide system, an operation guide method, and an operation guide program, which are capable of allowing a user to easily understand measurement of an X-ray optical system to be selected. A crystalline quantitative phase analysis device includes qualitative phase analysis result acquisition means for acquiring information on a plurality of crystalline phases contained in a sample, and weight ratio calculation means for calculating a weight ratio of the plurality of crystalline phases based on a sum of diffracted intensities corrected with respect to a Lorentz-polarization factor, a chemical formula weight, and a sum of squares of numbers of electrons belonging to each of atoms contained in a chemical formula unit, in the plurality of crystalline phases.

Abstract: Provided are a processing method, a processing apparatus and a processing program which can perform pole figure measurement continuously without overlapping of an angle ? in a pole figure with the small number of times of ? scan, thereby enabling the efficient measurement. The processing method for determining conditions of pole figure measurement by X-ray diffraction, includes the steps of: receiving input of a diffraction angle 2?; and determining an angle ? formed by an incident X-ray and an x-axis, and a tilt angle ? of a sample in each ? scan for a rotation angle ? within a sample plane so as to make a range of an angle ? continuous from ?=90° to ?=0° without overlapping, the angle ? being formed by the sample plane and a scattering vector, the range of the angle ? are detectable at a time on a two-dimensional detection plane in the pole figure measurement at the input angle 2?, in which determining the angle ? and the angle ? is repeated.

Abstract: A crystalline phase contained in a sample is identified, from X-ray diffraction data of the sample which contain data of a plurality of ring-shaped diffraction patterns, using a database in which are registered data related to peak positions and peak intensity ratios of X-ray diffraction patterns for a plurality of crystalline phases. Peak positions and peak intensities for a plurality of the diffraction patterns are detected from the X-ray diffraction data (step 102), and the circumferential angle versus intensity data of the diffraction patterns is created (step 103). The diffraction patterns are grouped into a plurality of clusters on the basis of the circumferential angle versus intensity data (step 105). Crystalline phase candidates contained in the sample are searched from the database on the basis of sets of ratios of peak positions and peak intensities of the diffraction patterns grouped into the same cluster (step 106).

Abstract: Provided are operation guide system for X-ray analysis to enable users to easily understand measurement of X-ray optical system to be selected. The operation guide system includes: measurement information acquisition unit for acquiring information on a sample and each X-ray measurement optical system part; sample magnification acquisition unit for acquiring magnification for display; incident X-ray shape deformation unit for determining distorted shape of an incident X-ray obtained by magnifying shape of the incident X-ray based on the magnification in a plane perpendicular to an optical axis direction; scattered X-ray shape deformation unit for determining distorted shape of a scattered X-ray obtained by magnifying shape of the scattered X-ray based on the magnification in the plane; and X-ray measurement optical system modeling unit for modeling a deformed shape of the sample, the distorted shape of the incident X-ray, and the distorted shape of the scattered X-ray.

Abstract: Peak positions and integrated intensities of diffraction X-ray are determined on the basis of X-ray diffraction measurement data output from an X-ray diffractometer, the number of determined peaks of the diffraction X-ray is counted, and analysis processing is started when the counted number of peaks reaches a preset peak number. The analysis processing is repetitively executed on the basis of X-ray diffraction measurement data. The peak positions and the integrated intensities of the diffraction X-ray are determined from the X-ray diffraction measurement data obtained from the start of the measurement till the analysis processing concerned, and qualitative analysis of collating the determined peak positions and integrated intensities with standard peak card data whose data base is made in advance and searching materials contained in a measurement sample, and quantitative analysis of determining the quantities of the materials contained in the measurement sample are executed.

Abstract: A crystalline phase identification method, a crystalline phase identification device, and a crystalline phase identification program which can conduct qualitative analysis with higher precision are provided.

Abstract: Peak positions and integrated intensities of diffraction X-ray are determined on the basis of X-ray diffraction measurement data output from an X-ray diffractometer, the number of determined peaks of the diffraction X-ray is counted, and analysis processing is started when the counted number of peaks reaches a preset peak number. The analysis processing is repetitively executed on the basis of X-ray diffraction measurement data. The peak positions and the integrated intensities of the diffraction X-ray are determined from the X-ray diffraction measurement data obtained from the start of the measurement till the analysis processing concerned, and qualitative analysis of collating the determined peak positions and integrated intensities with standard peak card data whose data base is made in advance and searching materials contained in a measurement sample, and quantitative analysis of determining the quantities of the materials contained in the measurement sample are executed.

Abstract: The thickness of a thin film can be measured based on the X-ray diffraction method. An X-ray is allowed to be incident upon a surface of the thin film. An intensity of a diffracted X-ray is measured with the incident angle ? being changed to obtain a measured rocking curve. On the other hand, a theoretical rocking curve is calculated in consideration of an orientation density distribution function ? of the thin film. A scale factor is predetermined for a standard sample having a known film thickness. A parameter fitting operation is carried out in a manner that the characteristic parameter of the function ? and the film thickness t are adjusted so that the theoretical rocking curve including the scale factor can approach the measured rocking curve as closely as possible.