Abstract: Methods and apparatus for implementing robust and efficient cryoloop auto-centering for crystal location and alignment to the x-ray beam are provided. Image processing techniques are used for recognition of the small protein crystals. The detected crystal location enables crystal positioning in the x-ray beam, and optimization of the x-ray optics such as beam profile and intensity to the size and shape of the protein crystals.

Abstract: According to an illustrative embodiment disclosed herein, a semiconductor structure comprising a first crystalline substrate and a second crystalline substrate is provided. The semiconductor structure is irradiated with a radiation. Both the first crystalline substrate and the second crystalline substrate are exposed to the radiation. At least one diffraction pattern of a crystal lattice of the first crystalline substrate and a crystal lattice of the second crystalline substrate is measured. A relative orientation of the crystal lattice of the first crystalline substrate and the crystal lattice of the second crystalline substrate is determined from the at least one diffraction pattern.

Abstract: An x-ray diffraction technique (apparatus, method and program products) for measuring crystal structure from a large sample area. The measurements are carried out using a large size collimating optic (up to 25 mm or more in diameter or corresponding cross-section) along with a 2-dimensional x-ray image detector. The unique characteristics of polycapillary collimating optics enable an efficient x-ray diffraction system (either low power or high power) to measure a large portion (or even the whole sample surface area) of the sample to obtain critical crystal structure information, such as the orientation of the whole sample, defects in the crystal, the presence of a secondary crystal, etc. Real-time, visual monitoring of the detected diffraction patterns is also provided. Turbine blade crystal structure measurement examples are disclosed.

Abstract: A white X-ray generating means and an X-ray detecting means are respectively moved to a first position and a second position that are separated, X-ray intensities, for each energy, detected at respective positions by the X-ray detecting means are obtained as first data and second data, a third data, that is refraction-X-ray-only data, is obtained based on the difference between the first data and the second data, and data about fluorescent X-ray is obtained from the difference between the first or second data and the third data.

Abstract: A diffraction condition simulation device capable of calculating the UB matrix and the rotation matrix R and also their multiplication RUB, thereby obtaining and displaying any Bragg reflection conditions of any Bragg reflections desired by an operator of said device. The Bragg reflection conditions are useful for structure analysis and structure evaluation of any crystal samples.

Abstract: A sample analysis system makes use of both X-ray diffraction analysis and Raman spectroscopy of a sample. The sample is part of a sample library that is mounted on an XYZ stage that allows each sample to be examined in turn, as the XYZ stage is moved to position successive samples to a sample location. The system components may be mounted on a goniometer to allow their repositioning. A video system may be used for optical examination of the sample, and a knife edge may be used to prevent X-ray radiation from reaching a sample adjacent to the sample positioned at the sample location. A controller may be used to automatically control the operation of the analysis components and the movement of the sample holder to as to allow automated analysis of all of the samples in the sample holder.

Abstract: By performing x-ray analysis of stacked metallization layers on the basis of data reduction, the crystalline structure of individual metallization layers may be determined. Consequently, a relationship between electromigration and crystallinity, as well as a correlation between process parameters and materials and the finally obtained crystalline structures of metal lines, may be estimated in a highly efficient manner compared to measurement techniques based on charged particles.

Abstract: Sample mounts (10) for mounting microcrystals of biological macromolecules for X-ray crystallography are prepared by using patterned thin polyimide films (12) that have curvature imparted thereto, for example, by being attached to a curved outer surface of a small metal rod (16). The patterned film (12) preferably includes a tapered tip end (24) for holding a crystal. Preferably, a small sample aperture is disposed in the film for reception of the crystal. A second, larger aperture can also be provided that is connected to the sample aperture by a drainage channel, allowing removal of excess liquid and easier manipulation in viscous solutions. The curvature imparted to the film (12) increases the film's rigidity and allows a convenient scoop-like action for retrieving crystals. The polyimide contributes minimally to background and absorption, and can be treated to obtain desired hydrophobicity or hydrophilicity.

Abstract: An X-ray thin film inspection apparatus including a sample table on which an inspection target such as a product wafer or the like is mounted, a positioning mechanism for moving the sample table, a goniometer having first and second swing arms, at least one X-ray irradiation unit that are mounted on the first swing arm and containing an X-ray tube and an X-ray optical element in a shield tube, an X-ray detector mounted on a second swing arm, and an optical camera for subjecting the inspection target disposed on the sample table to pattern recognition.

Abstract: Diffractometer and method for diffraction analysis making use of two Euler cradles, a primary and a secondary Euler cradle. The primary Euler cradle supports a source of a radiation beam, having a collimation axis, and a radiation beam detector, having a reception axis, said collimation and reception axis, conveying in a centre of the diffractometer which is fixed with respect to the primary Euler cradle. The source and detector are adapted to move along the primary Euler cradle. The secondary Euler cradle supports the primary Euler cradle and is arranged to rotate the latter.

Abstract: An automated macromolecular method and system for detecting crystals in two-dimensional images, such as light microscopy images obtained from an array of crystallization screens. Edges are detected from the images by identifying local maxima of a phase congruency-based function associated with each image. The detected edges are segmented into discrete line segments, which are subsequently geometrically evaluated with respect to each other to identify any crystal-like qualities such as, for example, parallel lines, facing each other, similarity in length, and relative proximity. And from the evaluation a determination is made as to whether crystals are present in each image.

Abstract: Disclosed are an apparatus and a method for simultaneously measuring integrated reflectivity of X-rays with different orders of reflections in crystal. Continuous X-rays are incident into the crystal and reflection intensities of the X-rays reflected from the crystal with different orders of reflections are measured based on Bragg's law, thereby measuring reflectivity of X-rays with different orders of reflections.

Abstract: A high resolution structure of the hemalbumin binding complex is provided which includes the detailed atomic coordinates which reflect the binding site and the binding characteristics of the structure. This high resolution structure can be used in methods of determining the primary residues involved in gas binding, redox potential of iron, etc., and thus will be used to identify and optimize the gas binding characteristics of heme and albumin, so as to allow for the development of modified recombinant albumins containing heme and/or heme derivatives which have improved gas binding properties and which can be used for therapeutic purposes.

Abstract: An analytical method for determining crystallographic phases of a measuring sample comprises the steps of acquiring a diffraction pattern of the measuring sample and qualitative phase analysis of the measured diffraction pattern, acquiring an element spectrum of the measuring sample and determining concentrations of chemical elements in the measuring sample from the acquired element spectrum, and carrying out a quantitative phase analysis of the measuring sample on the basis of the measured intensities of the acquired diffraction pattern thereby taking into consideration determined element concentrations as a boundary condition, wherein differences between calculated and measured intensities of the diffraction pattern and between calculated and determined element concentrations are simultaneously minimized in an iterative process. The inventive method permits quantitative phase determination with high reliability.

Abstract: An element-specific imaging technique utilizes the element-specific fluorescence X-rays that are induced by primary ionizing radiation. The fluorescence X-rays from an element of interest are then preferentially imaged onto a detector using an optical train. The preferential imaging of the optical train is achieved using a chromatic lens in a suitably configured imaging system. A zone plate is an example of such a chromatic lens; its focal length is inversely proportional to the X-ray wavelength. Enhancement of preferential imaging of a given element in the test sample can be obtained if the zone plate lens itself is made of a compound containing substantially the same element. For example, when imaging copper using the Cu La spectral line, a copper zone plate lens is used.

Abstract: Apparatus for examining a sample by microscopy, spectroscopy or crystallography under controlled environmental conditions. The apparatus comprises a sample chamber (1) which is fed by a gas stream (19) having a known vapor content, which is generated by mixing two gas streams (18 & 16), one substantially saturated in a volatile substance (18) and one substantially free of the volatile substance (16), in a controlled manner. The temperature of the apparatus, and particularly of the sample chamber (1), is accurately controlled and regulated by temperature controller (7).

Abstract: An X-ray crystal orientation measuring apparatus and a method thereof, for enabling to measure distribution of crystal orientations upon a crystal having the sub-grain structure, lineage structure, other than the single domain, with using X-ray, comprises, an XY stage 20 for mounting a crystal S to be measured thereon and being movable in X-Y directions, an X-ray generating device 50 for irradiating X-ray at a predetermined angle upon a measuring surface of the crystal to be measured on the stage, a high-sensitive two-dimensional detector 60 for detecting the diffraction image of X-ray, which is irradiated from the X-ray generating device upon the measuring surface of the crystal to be measured, and a control PC, wherein the control PC calculates out a central position of the diffraction image detected, from the detected screen, so as to calculate out the crystal orientation upon the measuring surface of the crystal to be measured.

Abstract: A method for identifying a ligand of a target macromolecule is disclosed, comprising the steps of: soaking one or more crystals of the target macromolecule in a solution containing a collection of compounds generated in situ or separate from the crystal, where the solution has been prepared without the purification of the synthesized collection of compounds; obtaining an X-ray crystal diffraction pattern of the soaked macromolecule crystal; and using said X-ray crystal diffraction pattern to identify any compound bound to the macromolecule crystal, said compound being a ligand of the target macromolecule.

Abstract: Systems and methods are provided for evaluating a crystallization experiment, where a crystallization experiment of a molecule is to X-rays while housed within a container in which the crystallization experiment is performed; and one or more X-ray diffraction patterns from the X-ray exposure are used to evaluate whether crystalline material is present in the crystallization experiment.

Abstract: A monochromator 4 is used to direct X-rays from X-ray source 2 onto a sample 14 as a convergent beam. The sample 14 is in a growth chamber. The sample is rotated, and diffraction measurements are made in parallel with multichannel detector 22. A specific reflection is used so that the intensity against angle graph measured in the multichannel detector gives information about the vertical lattice parameter. To compensate for wobble inevitably introduced by the rotation of the sample, short time measurements are made and summed.

Abstract: Action on the tested wafer 1 is rendered with X-ray beam 3 converging in a point located inside the wafer or under it. Determination of relative position of the interference maxima is performed for diffraction reflections from crystallographic planes having the form of {nKK}, where n is equal to H, K or L and differs for distinct crystallographic planes. Means 11 for beam shaping creates beam 3 simultaneously acting on multiple crystallographic planes. Detectors 13 receive diffracted radiation in the whole angular range containing the interference maxima corresponding to the reflections from the irradiated planes.

Abstract: The present invention relates to a method for performing a transmission diffraction analysis of an analyte on a support surface, wherein the method comprises: irradiating said analyte with a radiation beam generated by a source of radiation, and detecting said radiation after passing through the analyte. The method is characterised in that irradiation is performed such that the radiation beam strikes the analyte in a substantially vertical and substantially perpendicular direction. Further the present invention relates to an apparatus for performing a transmission diffraction analysis.

Abstract: The invention is concerned with a method f alignment for aligning crystal planes of a wafer substrate (40) to lithographic features thereon, the method characterized in that it includes the steps of: (a) measuring angular orientation of a peripheral flat (200) of the substrate (40); (b) measuring a crystallographic plane orientation of the substrate (40); (c) determining an error angle (?) between the annular orientation of the flat (200) and the crystallographic orientation; (d) angularly registering to the flat (200) in a lithographic tool; (e) rotating the substrate (40) by the error angle (?); and (f) defining one or more feature layers on the substrate (40) using the lithographic tool, thereby angularly aligning the one or more feature layers to the crystallographic plane orientation.

Abstract: A stress of a c-axis-oriented specimen of a tetragonal polycrystal is measured using X-ray diffraction under the assumption of a plane stress state. An X-ray optical system is set in the location of ?=0°, 45° or 90°. An X-ray diffracted at a crystal plane (the direction of the normal thereto is the direction of an angle of ?) with the Miller indices (hkl) is detected. A diffraction angle ? in a strain state is measured in the vicinity of a Bragg's angle ?0 in a non-strain state. Strains ? with respect to a plurality of ? are calculated from the difference between the measurement values ? and the Bragg's angle ?0. Specific stress calculation formulae are determined with respect to the tetragonal system having the Laue symmetry 4/mmm. The stress is calculated from the slope of the linear line of plotted measurement results.

Abstract: A method for measuring a pole of a sample, using a reflection method, is effective substantially over all measurement regions ranging from the region of high-tilting-angle ? of a conventional pole measuring to the in-plane diffraction region corresponding to low-tilting-angle ?.

Abstract: A method is provided of analysing the composition of a semiconductor material (3) comprising irradiating the material with energy from an energy source (1) which energy is diffracted from the material, detecting one or more portions of the diffracted energy, and analysing the or each detected portion to obtain a parameter indicative of the intensity of the or each portion. The or each portion of the diffracted energy detected may be a quasi-forbidden reflection diffracted from the material, e.g. may be a (002) reflection diffracted from the material, or a (006) reflection. The detection of the or each portion of the diffracted energy may take place at one or more detection angles (9), or at all angles of reflection/transmission of the diffracted energy source, or at a range of angles around one or more detection angles. The energy source may comprise a beam of x-rays produced by an x-ray tube (2), and one or more detectors (4) may be used to detect the or each portion of the diffracted energy.

Abstract: The invention presents an x-ray method for determining the three-dimensional molecular structure of molecules having an unknown structure. The molecules having unknown structure are arranged in a two-dimensional periodic array on a substrate molecular crystal having a known structure. It is a requirement of the method that the dimensions of the molecules with the unknown structure are smaller than the corresponding dimensions of the substrate crystal unit cell.

Abstract: An apparatus and method for performing rapid grain size analysis on a textured polycrystalline material, by generating average grain size and grain size distribution data from x-ray diffraction data of such material. Raw diffraction data is obtained by capturing a plurality of diffraction arcs within a single data capture frame. The raw diffraction data is digitally registered; (3) and the registered diffraction data is filtered to remove background noise, exclude diffraction overlaps or truncations, and compensate for biased data obtained from regions of highly preferred orientations. Average grain size and grain size distribution data are then correlated with the filtered diffraction data. The apparatus for acquiring raw diffraction data includes a collimated x-ray source having means for adjusting beam size and divergence of the x-ray generated, a 2-dimensional area detector for registering diffracted x-ray, and a sample motion assembly for moving the sample in the sample plane.

Abstract: A method and system for indexing powder diffraction data are disclosed comprising choosing a maximum impurity peak tolerance level for a crystallography data search, choosing a range of number of calculated peaks for possible indexing solutions having a minimum number of peaks and a maximum number of peaks, selecting a crystal system to search, selecting powder extinction classes to search for indexing solutions, performing an exhaustive unit cell search of each of the selected powder extinction classes using a successive dichotomy approach to determine a set of indexing results, and ranking the obtained solutions according to likelihood.

Abstract: A biological crystal formation screening apparatus uses an x-ray diffraction technique to analyze the sample containers of a sample tray for the presence of crystal formation. An x-ray source is directed toward a sample under investigation, and a two-dimensional x-ray detector is located to receive any diffracted x-ray energy. A positioning apparatus allows the different sample containers of a tray to be sequentially aligned with the source and detector, allowing each to be examined. The sample container is arranged such that a sample is located relative to the well solution so that the x-ray beam is directed to the sample without being incident on the well solution.

Abstract: A crystal evaluating device including a sample stage on which an X-ray permeable sample holder 40 having at least one crystal sample mounted therein can be mounted in a substantially horizontal position, an X-ray irradiating unit 20 for irradiating X-rays to the crystal sample in the sample holder 40 disposed on the sample stage from an upper side or lower side, and an X-ray detector 30 for detecting diffracted X-rays from the crystal sample. The X-ray irradiating unit 20 and the X-ray detector 30 are mounted on a rotational arm 50 which can be rotated around the substantially horizontal axis by a rotational driving mechanism 51.

Abstract: A method and apparatus for quantitatively measuring a metal phase contained in a galvanized layer by X-ray diffractometry, and a method of producing a galvanized steel sheet by using the method and apparatus. The diffracted X-ray intensity from a metal phase contained in the galvanized layer is increased to improve measurement accuracy, thereby permitting application to on-line measurement. The diffracted X-rays from the metal phase are measured over a predetermined range on a Debye ring, or measured at a plurality of positions on the Debye ring to increase the diffracted X-ray intensity, thereby improving measurement accuracy. The X-ray beam produced by an X-ray source is compressed and made parallel and monochromatic by a multilayer film mirror to increase diffracted X-ray intensity, improving measurement accuracy. Particularly, the present invention is applied to measurement of the degree of alloying of hot-dip galvanization.

Abstract: The method and apparatus of the present invention permit indirect identification of a target plane, such as the plane identified by an alignment feature, based upon the identification of a reference plane which is offset by a predetermined angle from the target plane. In addition, in order to permit alignment features to be defined at non-standard angles with respect to the axial orientation of an ingot, an apparatus is provided that includes a frame having at least two members. The first member abuts a bar extending outwardly from the stage of an x-ray diffractometer, while the second member carries an engagement member for engaging a non-standard alignment feature. The second member may be movable relative to the first member to permit the frame to be mounted upon ingots having different non-standard alignment features.

Abstract: An apparatus and method for mapping film thickness of one or more textured polycrystalline thin films. Multiple sample films of known thickness are provided. Each sample film is irradiated by x-ray at a measurement point to generate a diffraction image that captures a plurality of diffraction arcs. Texture information (i.e., pole densities) of the sample film, is calculated based on incomplete pole figures collected on the diffraction image and used to correct the x-ray diffraction intensities from such sample. The corrected diffraction intensities are integrated for each sample film, and then used for constructing a calibration curve that correlates diffraction intensities with respective known film thickness of the sample films. The film thickness of a textured polycrystalline thin film of unknown thickness can therefore be mapped on such calibration curve, using a corrected and integrated diffraction intensity obtained for such thin film of unknown thickness.

Abstract: The invention provides for the making of <200 nm wavelength fluoride crystal optical elements from selected fluoride single crystals of determined quality. The invention relates to a method of determining the optical quality of a fluoride single crystal. The method according to the invention is characterised in that it comprises the following steps: (a) irradiating at least one volume element of the fluoride single crystal, along at least one given family of crystalline planes with a hard X-ray beam, in order to obtain a picture of the diffraction in transmission mode of the hard X-rays across this at least one volume element along this at least one family of crystalline planes, (b) studying the picture obtained in step (a), and (c) calculating the mosaicity of the at least one volume element along the at least one family of crystalline planes, from the study of step (b). The invention finds application in the field of the optical industry.

Abstract: A method of examining a wafer of crystalline semiconductor material by means of X-rays, in which method a surface of the wafer is scanned by means of an X-ray beam and secondary radiation generated by said X-ray beam is detected. Prior to the examination the surface of the wafer which is to be scanned by the X-ray beam during the examination is glued to a substrate, after which crystalline semiconductor material is removed at the side which is then exposed, removal taking place as far as the top layer which adjoins the surface. The top layer can thus be examined without the examination being affected by crystal defects or impurities present in layers of the wafer which are situated underneath the top layer.

Abstract: The apparatus comprises an X-ray source (112), a monochromator (118), a goniometer (170), a position sensitive detector (150), a mechanism to rock or rotate the sample or the X-ray source and computer means (160) for interpreting the data obtained at the position sensitive detector. The method of the present invention includes the steps of generating an X-ray; narrowing the wavelength of the X-ray beam; allowing the particles to diffract the beam; detecting the diffracted beam with a position sensitive detector, collecting the diffraction data from individual particles; rocking or rotating the specimen or the X-ray source for successive times to cover the angular range of reflection of the particles; compilation of the diffraction data in the computer memory to construct the intensity profile for the individual particles; and interpreting the data to determine particle size and particle size distribution.

Abstract: A method of analyzing crystalline texture from data defining the orientation of crystals in a sample of polycrystalline material including, for each crystal, determining the orientation of a first direction in the sample, with respect to a common reference frame fixed to the crystal structure of each crystal. A number of crystals sharing a similar orientation of the first direction with respect to the reference frame is selected and for each, the orientation is determined of a second direction in the sample with respect to the reference frame. A number of crystals sharing a similar orientation of the second direction with respect to the reference frame is selected and a crystal texture corresponding to the orientation of the selected crystals with respect to the first and second directions within the sample is determined and/or represented.

Abstract: A relational database is built and used for the identification of single crystals by electron diffraction. Selected area electron diffraction (SAED) patterns (a lattice net of spots) produced in an electron diffractometer or a transmission electron microscope (TEM) are matched against database patterns calculated from reduced unit cells of known materials. The effects of double diffraction on electron diffraction patterns are fully incorporated into the database by rigorous calculation.

Abstract: The invention is concerned with a method f alignment for aligning crystal planes of a wafer substrate (40) to lithographic features thereon, the method characterised in that it includes the steps of: (a) measuring angular orientation of a peripheral flat (200) of the substrate (40); (b) measuring a crystallographic plane orientation of the substrate (40); (c) determining an error angle (&phgr;) between the annular orientation of the flat (200) and the crystallographic orientation; (d) angularly registering to the flat (200) in a lithographic tool; (e) rotating the substrate (40) by the error angle (&phgr;); and (f) defining one or more feature layers on the substrate (40) using the lithographic tool, thereby angularly aligning the one or more feature layers to the crystallographic plane orientation.

Abstract: A biological crystal formation screening apparatus uses an x-ray diffraction technique to analyze the sample containers of a sample tray for the presence of crystal formation. An x-ray source is directed toward a sample under investigation, and a two-dimensional x-ray detector is located to receive any diffracted x-ray energy. A positioning apparatus allows the different sample containers of a tray to be sequentially aligned with the source and detector, allowing each to be examined. Various techniques for interpreting the detector output data are also provided.

Abstract: The method estimates quantitatively the preferred orientation of a polycrystalline material using one diffraction peak. An orientation density distribution function &rgr; is assumed to be axisymmetric around on the normal direction of the surface of a sample made of a polycrystalline material. The function &rgr; may be a Gaussian function or a March-Dollase function. An X-ray is incident upon the surface of the sample at an incident angle &agr; and the intensity of a diffraction X-ray is measured. The change of the intensity of the diffraction X-ray is measured with the incident angle &agr; being changed to attain a measurement rocking curve. On the other hand, a theoretical diffraction X-ray intensity is calculated based on the orientation density distribution function &rgr;.

Abstract: A method and apparatus for the transportation, remote and unattended mounting, and visual alignment and monitoring of protein crystals for synchrotron generated x-ray diffraction analysis. The protein samples are maintained at liquid nitrogen temperatures at all times: during shipment, before mounting, mounting, alignment, data acquisition and following removal. The samples must additionally be stably aligned to within a few microns at a point in space. The ability to accurately perform these tasks remotely and automatically leads to a significant increase in sample throughput and reliability for high-volume protein characterization efforts. Since the protein samples are placed in a shipping-compatible layered stack of sample cassettes each holding many samples, a large number of samples can be shipped in a single cryogenic shipping container.

Abstract: A biological crystal formation screening apparatus uses an x-ray diffraction technique to analyze the sample containers of a sample tray for the presence of crystal formation. An x-ray source is directed toward a sample under investigation, and a two-dimensional x-ray detector is located to receive any diffracted x-ray energy. A positioning apparatus allows the different sample containers of a tray to be sequentially aligned with the source and detector, allowing each to be examined. The sample container is arranged such that a sample is located relative to the well solution so that the x-ray beam is directed to the sample without being incident on the well solution.

Abstract: A negative electrode of a nonaqueous secondary battery is formed of a carbonaceous material. The ratio RG=Gs/Gb of the degree of graphitization Gs of the carbonaceous material, determined by a surface-enhanced Raman spectrum, to the degree of graphitization Gb, determined by a Raman spectrum measured using argon laser light, is at least 4.5. Alternatively, the carbonaceous material has a peak in a wavelength range above 1,360 cm−1 in a surface-enhanced Raman spectrum which is measured by the same surface-enhanced Raman spectrum. The deterioration of the nonaqueous secondary battery is suppressed during use in high-temperature environments and high capacity is maintained for long periods.

Abstract: A method of identifying an agent compound (such as an inhibitor) which modulates asparate decarboxylase (ADC) activity. The method comprises the steps of: a) providing a model of a binding cavity of ADC, said model including at least one of binding site nos. 1 and 9 defined by Table 2; b) providing the structure of said agent compound; c) fitting the candidate agent compound to said binding cavity, including determining the interactions between the candidate agent compound and at least one of binding site nos. 1 and 9; and d) selecting the candidate agent compound.

Abstract: An apparatus and method for performing rapid grain size analysis on a textured polycrystalline material, by generating average grain size and grain size distribution data from x-ray diffraction data of such material. Raw diffraction data is obtained by capturing a plurality of diffraction arcs within a single data capture frame. The raw diffraction data is digitally registered; (3) and the registered diffraction data is filtered to remove background noise, exclude diffraction overlaps or truncations, and compensate for biased data obtained from regions of highly preferred orientations. Average grain size and grain size distribution data are then correlated with the filtered diffraction data. The apparatus for acquiring raw diffraction data includes a collimated x-ray source having means for adjusting beam size and divergence of the x-ray generated, a 2-dimensional area detector for registering diffracted x-ray, and a sample motion assembly for moving the sample in the sample plane.

Abstract: Method and device for rapid characterization of arrays of crystalline, polycrystalline or amorphous materials; in particular for the formation and X-ray diffraction analysis of polymorph libraries and the discovery of new crystal forms. According to one aspect, a multi-well plate comprising a masking plate with an array of openings and a removable base plate is used to crystallize precipitates. X-ray diffraction analysis is performed by scanning an X-ray beam over the base plate and recording diffractograms of the crystalline precipitates.

Abstract: A method and apparatus to simultaneously measure the diffraction resolution and mosaic spread of macromolecular crystals, are described. The method includes minimizing contributions of an x-ray beam to any reflection angular widths in the crystal, rapidly measuring multi reflection profiles in the crystal over a wide resolution range, evaluating and deconvoluting the Lorentz effect and beam contributions, and determining the direction in which the crystal is most perfect.

Abstract: A method uses linear prediction analysis to define a first structure factor component for a first reflection from x-ray crystallography data. The x-ray crystallography data includes a set of cognizable reflections. The method includes expressing the first structure factor component as a first linear equation in which the first structure factor component is equal to a sum of a first plurality of terms. Each term includes a product of (1) a structure factor component for a cognizable reflection from the x-ray crystallography data, wherein the cognizable reflection has a separation in reciprocal space from the first reflection, and (2) a linear prediction coefficient corresponding to the separation between the cognizable reflection and the first reflection. The method further includes calculating values for the linear prediction coefficients.