Method and apparatus for acquiring high resolution X-ray analytical data

Abstract

The present invention provides a computer-implemented method for X-ray analysis. The method includes receiving X-ray analysis data from an X-ray detector having multiple detection channels. The X-ray analysis data includes angular scan intensity data obtained by measuring X-ray intensities when successively scanning the X-ray detector. A series of intensity measurement values ​​is acquired for each detection channel. Each series of intensity measurement values ​​is an intensity angular scan. An angular offset is determined for each detection channel. The method further includes determining, for each of a plurality of detection angle bins, an intensity contribution factor for at least one of the intensity measurements. The intensity contribution factor is determined according to an angle range associated with the detection angle bin and the angular offset of the detection channel. For each of the plurality of detection angle bins, a binned intensity is determined based on the intensity of the at least one intensity measurement value and its corresponding intensity contribution factor.

Description

[Technical Field]

[0001] The present invention relates to a computer-implemented method for processing X-ray analysis data to obtain high resolution results, and further to an apparatus for carrying out such a method. [Background technology]

[0002] X-ray analysis is an analytical technique used to characterize materials in a variety of industries, including construction, mining, pharmaceuticals, electronics and semiconductors, and food and beverage.

[0003] It is desirable to be able to acquire and process X-ray analysis data efficiently and in a manner that facilitates accurate analysis of the results. The use of large planar X-ray detectors with multiple detection channels can help speed up the process of acquiring X-ray analysis data compared to using zero-dimensional X-ray detectors or small one-dimensional X-ray detectors or small two-dimensional X-ray detectors. Furthermore, using multi-channel X-ray detectors to perform X-ray analysis procedures with continuous scanning (the X-ray detector moves continuously through the range of detection angles being analyzed) can help minimize the amount of time required to perform a scan.

[0004] One of the factors fundamental to the accurate interpretation of X-ray analytical data obtained from an X-ray analytical procedure is the resolution (e.g., width of the diffraction peak). Summary of the Invention [Problem to be solved by the invention]

[0005] It would be desirable to provide a method and apparatus for analyzing X-ray analysis data that facilitates efficient and accurate analysis by performing X-ray analysis. [Means for solving the problem]

[0006] The invention is defined by the claims. According to an example in accordance with an aspect of the invention, there is provided a computer-implemented method for X-ray analysis. The method comprises: receiving X-ray analysis data from an X-ray detector having a plurality of detection channels, wherein the X-ray analysis data includes angular scan intensity data obtained by measuring X-ray intensities while continuously scanning the X-ray detector across an angular scan range of the X-ray detector; acquiring a series of sets of intensity measurements for each detection channel, wherein the series of intensity measurements are intensity angular scans across an angular scan range of the X-ray detector; determining detection angle bin sizes for a plurality of detection angle bins; determining an angular offset for each of the detection channels; determining, for each of a plurality of detection angle bins, an intensity contribution coefficient for at least one of the intensity measurements for each detection channel, wherein the intensity contribution coefficient is determined according to an angular range associated with the detection angle bin and an angular offset of the detection channel; determining a binned intensity for each of a plurality of detection angle bins based on the intensity of the at least one intensity measurement and its corresponding intensity contribution factor; Includes.

[0007] By accounting for the angular offset of each detection channel (also referred to herein as a detector element) in this manner, high-resolution X-ray analysis data can be generated even when using large, planar X-ray detectors. The angular offset is the angle by which a detection channel is offset from a reference detection channel (in other words, a detector element is offset from the reference detection element). In use, the reference detection channel is aligned within the X-ray analysis instrument to receive X-rays from the sample at an angle 2θ relative to the X-ray incidence on the sample. Furthermore, by rebinning the intensity data in this manner, the intensity data points are evenly spaced.

[0008] Each corresponding intensity measurement indicates the intensity measured by the detector channel over a corresponding portion of the angular scan range.

[0009] The method includes, for each of a plurality of detection angle bins, selecting at least one intensity measurement value associated with the detection angle bin based on an angular scan range associated with the intensity measurements and an angular range associated with the detection angle bin, where the intensity measurements correspond to an angular range that at least partially overlaps with the angular range of the detection angle bin.

[0010] The selected intensity measurements may include intensity data obtained over a portion of the angular scan range that corresponds to the angular range associated with the detection angle bin.

[0011] Each intensity measurement can be associated with an angular scan range (the product of the scanning speed of the X-ray detector and the sampling time) that corresponds to the angular range of the sampling step.

[0012] The method may include determining an angular scan range associated with each intensity measurement based on the angular offset of the corresponding detector channel.

[0013] The computer-implemented method comprises: For the first detection angle bin, selecting a first intensity measurement value and a second intensity measurement value in at least one of the successive sets of intensity measurement values, wherein the first intensity measurement value was obtained over an angular scan range corresponding at least in part to the angular range of the at least one detection angle bin, and the second intensity measurement value includes intensity data obtained over an angular range corresponding at least in part to the angular range of the at least one detection angle bin; determining a first intensity contribution factor based on a percentage of an angular range of the first intensity measurement that overlaps with an angular range of the at least one detection angle bin; determining a second intensity contribution factor based on a ratio of an angular range of the second intensity measurement to an angular range of the at least one detection angle bin; It may further include:

[0014] The first and second intensity measurements may be consecutive measurements in a continuous set of intensity measurements to which they belong.

[0015] These steps may be repeated for each detection angle bin across the angular range of the intensity angle scan.

[0016] The computer-implemented method comprises: further comprising determining a binned intensity of a first detection angle bin, wherein determining the binned intensity of the first detection angle bin comprises: selecting a plurality of detection channel intensity measurements corresponding to a first detection channel; determining a first intensity contribution factor for a detection channel intensity measurement preceding a selected detection channel intensity measurement; determining a second intensity contribution factor for a detection channel intensity measurement subsequent to the selected detection channel intensity measurement; summing a product of the intensity associated with the first detected channel intensity measurement and the first intensity contribution factor and a product of the intensity associated with the second detected channel intensity measurement and the second intensity contribution factor; It may further include:

[0017] The computer-implemented method comprises: selecting a plurality of intensity measurements for each detection angle bin, wherein each intensity measurement is associated with an angular scan range that at least partially corresponds to an angular range of at least one detection angle bin, and at least some of the intensity measurements belong to different sequential sets of intensity measurements; determining, for each intensity measurement, an intensity contribution factor based on a percentage of an angular range of the first intensity measurement that overlaps with an angular range of at least one detection angle bin; determining binned intensities by summing the products of the intensities associated with the corresponding intensity measurements and their corresponding intensity contribution factors; It may further include:

[0018] The computer-implemented method comprises: receiving x-ray analysis data from an x-ray analysis device configured to irradiate a sample at an angle of incidence ω and detect x-rays from the sample at an angle 2θ, wherein the x-ray analysis data includes a series of sets of intensity measurements for each detection channel, the intensity measurements indicative of intensity as a function of angular position of an x-ray detector; adjusting an angular scan range for each detection channel other than the reference detection channel based on an angular offset between the detection channel and the reference detection channel; It may further include:

[0019] The computer-implemented method comprises: generating an X-ray analysis scan representing the binned intensity as a function of detection angle; outputting an X-ray analysis scan; It may further include:

[0020] According to another aspect of the present invention, there is provided a processor for processing X-ray analytical data from an X-ray detector having a plurality of detection channels, the processor comprising: receiving X-ray analysis data from an X-ray detector having a plurality of detection channels, wherein the X-ray analysis data includes angular scan intensity data obtained by measuring X-ray intensities while continuously scanning the X-ray detector across an angular scan range of the X-ray detector; acquiring a series of sets of intensity measurements for each detection channel, wherein the series of intensity measurements are intensity angular scans across an angular scan range of the X-ray detector; determining detection angle bin sizes for a plurality of detection angle bins; determining an angular offset for each of the detection channels; determining, for each of a plurality of detection angle bins, an intensity contribution coefficient for at least one of the intensity measurements for each detection channel, wherein the intensity contribution coefficient is determined according to an angular range associated with the detection angle bin and an angular offset of the detection channel; determining a binned intensity for each of a plurality of detection angle bins based on the intensity of the at least one intensity measurement and its corresponding intensity contribution factor; It is configured to:

[0021] The processor may be configured to: determine an angular scan range associated with each intensity measurement value based on the angular offset of the corresponding detection channel; and, for each of a plurality of detection angle bins, select at least one intensity measurement value associated with the detection angle bin, where the intensity measurement value corresponds to an angular range that at least partially overlaps with the angular range of the detection angle bin.

[0022] This processor: For the first detection angle bin, selecting a first intensity measurement value and a second intensity measurement value in at least one of the successive sets of intensity measurement values, wherein the first intensity measurement value was obtained over an angular scan range corresponding at least in part to the angular range of the at least one detection angle bin, and the second intensity measurement value includes intensity data obtained over an angular range corresponding at least in part to the angular range of the at least one detection angle bin; determining a first intensity contribution factor based on a percentage of an angular range of the first intensity measurement that overlaps with an angular range of the at least one detection angle bin; determining a second intensity contribution factor based on a ratio of an angular range of the second intensity measurement to an angular range of the at least one detection angle bin; The device may be configured to:

[0023] The processor may be configured to determine a binned intensity of a first detection angle bin, and determining the binned intensity of the first detection angle bin includes: selecting a plurality of detection channel intensity measurements corresponding to a first detection channel; determining a first intensity contribution factor for a detection channel intensity measurement preceding a selected detection channel intensity measurement; determining a second intensity contribution factor for a detection channel intensity measurement subsequent to the selected detection channel intensity measurement; Summing a product of an intensity associated with the first detected channel intensity measurement and a first intensity contribution factor and a product of an intensity associated with the second detected channel intensity measurement and a second intensity contribution factor.

[0024] This processor: selecting a plurality of intensity measurements for each detection angle bin, wherein each intensity measurement is associated with an angular scan range that at least partially corresponds to an angular range of at least one detection angle bin, and at least some of the intensity measurements belong to different sequential sets of intensity measurements; determining, for each intensity measurement, an intensity contribution factor based on a percentage of an angular range of the first intensity measurement that overlaps with an angular range of at least one detection angle bin; determining binned intensities by summing the products of the intensities associated with the corresponding intensity measurements and their corresponding intensity contribution factors; The device may be configured to:

[0025] This processor: receiving x-ray analysis data from an x-ray analysis device configured to irradiate a sample at an angle of incidence ω and detect x-rays from the sample at an angle 2θ, wherein the x-ray analysis data includes a series of sets of intensity measurements for each detection channel, the intensity measurements indicative of intensity as a function of angular position of the x-ray detector; adjusting an angular scan range for each detection channel other than the reference detection channel based on an angular offset between the detection channel and the reference detection channel; The device may be configured to:

[0026] According to another aspect of the present invention, there is provided an X-ray analysis apparatus for analyzing a material, the X-ray analysis apparatus comprising an X-ray source, an X-ray detector having an array of detection channels, and the processor described above.

[0027] The apparatus may further comprise a goniometer, and the X-ray detector may be attached to the goniometer for irradiating the sample.

[0028] The angular size of the X-ray detector may be 10 degrees or more, where the angular size of the X-ray detector is the angle between the outermost detection channels as seen from the sample under analysis (which may be located at the center of the goniometer).

[0029] According to a further aspect of the present invention, there is provided a computer program product comprising instructions that, when executed by a computer, cause the computer to perform each of the steps described above.

[0030] According to another aspect of the present invention, there is provided a method of performing X-ray analysis, the method comprising: successively scanning an X-ray detector along an angular scan path to obtain angle-intensity scan data; and performing the steps of the computer-implemented method described above.

[0031] These and other aspects of the invention will be apparent from and elucidated with reference to the embodiments described hereinafter.

[0032] For a better understanding of the present invention, and to show more clearly how the same may be carried into effect, reference will now be made, by way of example only, to the accompanying drawings in which: [Brief explanation of the drawings]

[0033] [Figure 1] Figure 1A is a schematic diagram showing a front view of an X-ray detector with multiple detection channels, Figure 1B is a schematic diagram illustrating an angular scan path of the X-ray detector of Figure 1A, Figure 1C is a schematic diagram showing a front view of another X-ray detector with multiple detection channels, and Figure 1D is a schematic diagram illustrating an angular scan path of the X-ray detector of Figure 1C. [Figure 2] FIG. 1 is a flow diagram illustrating a computer-implemented method in accordance with one or more embodiments of the present invention. [Figure 3] Figure 3A is a plot showing multiple x-ray intensity angular scans obtained by different detection channels of a multi-channel x-ray detector, and Figure 3B is another plot showing the x-ray intensity angular scan data of Figure 3A. [Figure 4] FIG. 1 is a schematic diagram illustrating a rebinning process in accordance with one or more embodiments of the present invention. [Figure 5] 1 shows experimental data including diffraction scans obtained using a method according to an embodiment of the present invention and a comparative method. [Figure 6] 1 illustrates an X-ray analysis device in accordance with one or more embodiments of the present invention. DETAILED DESCRIPTION OF THE INVENTION

[0034] The present invention will now be described with reference to the drawings.

[0035] It should be noted that the detailed description and specific examples, while indicating exemplary embodiments of the device, system, processor, and method, are intended for illustrative purposes only and are not intended to limit the scope of the present invention. The foregoing and other features, aspects, and advantages of the device, system, processor, and method of the present invention will become better understood from the following description, the appended claims, and the accompanying drawings. It should be noted that the figures are schematic only and are not drawn to scale. It should be noted that the same reference numerals are used throughout the figures to refer to the same or similar parts.

[0036] 1A is a schematic diagram of a front view of an X-ray detector 10 including multiple detector elements (also referred to herein as "detector channels") 1, 2, 3, 4, and 5. Each detector element is shown with the portion for receiving X-rays facing forward. In the example shown in FIG. 1, the X-ray detector includes five detector elements: a first detector element 1, a second detector element 2, a third detector element 3, a fourth detector element 4, and a fifth detector element 5.

[0037] Figure 1B shows a schematic diagram of a side view of the X-ray detector 10 of Figure 1A mounted on a goniometer (not shown) for performing an X-ray analysis procedure. The goniometer has a detector arm to which the X-ray detector 10 is mounted, which detector arm rotates the X-ray detector 10 relative to the center 7 of the goniometer in order to move the X-ray detector 10 to different angular positions and scan the X-ray detector over a range of detection angles.

[0038] During an X-ray analysis procedure, X-ray analysis data is collected by rotating the X-ray detector 10 through a range of detection angles while the sample under analysis is positioned at the center 7 of the goniometer, thereby performing an angular scan. As shown in Figure 1B, the detector elements are offset from one another. Therefore, as the X-ray detector 10 rotates, different detector elements scan different angular paths. For example, during an angular scan, the second detector element 2 scans a portion of its corresponding detection path 8 (represented by the dashed circle with the smallest circumference), while the fifth detector element 5 scans a portion of its corresponding detection path 9 (represented by the dashed circle with the largest circumference). The filled circles indicate the centers of the respective detector elements. Note that the detection path corresponding to the first detector element 1 is the same as the detection path scanned by the third detector element 3. The detection paths corresponding to the first and third detector elements 1 and 3 are not numbered in the figure. Similarly, the detection path corresponding to the fourth detector element 4 is not numbered in the figure.

[0039] The X-ray detector is attached to the goniometer so that one of the detection channels (detection elements), the “reference detection channel” (“reference detection element”), follows the angular path for which the goniometer is calibrated. That is, when the goniometer is set at an angle of, for example, 2θ = 30 degrees, the reference detection channel receives X-rays at that angular position relative to the center of the goniometer, while the other detection channels receive X-rays that are offset from that angle. The reference detection channel may be the detection channel positioned the shortest distance from the center of the goniometer; for example, in FIG. 1B, the second detection channel 2 may be the reference detection channel. The angular position of the reference detection channel may be used to define the angular position of the entire X-ray detector. Each detection channel can be treated as an individual point detector, and a respective angular scan is obtained. As the X-ray detector rotates through the angular scan (at a predetermined speed and a predetermined sampling time), each detection channel collects X-ray intensity data, thus obtaining an angular intensity scan (e.g., a diffraction pattern). The X-ray intensity data collected by each detection channel may be reported in terms of the angle of the goniometer. However, for each detection channel other than the reference detection angle, the true angle deviates from the reported angle (the angle of the reference detection channel).

[0040] The angular size of a detection channel depends on its position within the array of detector elements (as viewed from the center of the goniometer). As shown in Figure 1B, the angular size decreases toward the edge of the X-ray detector compared to detection channels located closer to the reference detection channel (θ1 > θ2 > θ3). Therefore, detection channels closer to the edge of the X-ray detector receive a smaller proportion of the X-ray beam intensity incident on the X-ray detector. Furthermore, the detection channels are not equally spaced (they do not exhibit the same angular range interval). However, this difference in angular size between detection channels has not previously been considered. Instead, the detector elements are assumed to have the same angular size. The inventors recognize that this assumption introduces errors in the position of the detector elements. Furthermore, the angular offset, non-uniform spacing, and variations in angular size significantly affect the quality of the X-ray analysis results obtained. This becomes particularly important as the angular size of the X-ray detector in the X-ray analysis device increases, where the angular size is determined by the angle between the outermost detector elements as seen from the sample (e.g., the angle between the first and fifth detector elements). For example, the quality of the X-ray analysis results can be significantly affected by these factors in arrangements where the X-ray detector angular size is 10 degrees or greater.

[0041] Because the detector channels are not evenly spaced, it is difficult to combine data from different X-ray detector positions along an angular scan path into a single angular intensity scan, even if their positions relative to a reference detector channel are known. That is, it is difficult to combine intensity data collected by each detector channel at one X-ray detector position with intensity data collected at another X-ray detector position.

[0042] According to an embodiment of the present invention, a computer-implemented method for X-ray analysis is provided. The method includes receiving X-ray analysis data from an X-ray detector having a plurality of detection channels. The X-ray analysis data includes angular scan intensity data obtained by measuring X-ray intensities as the X-ray detector is continuously scanned across an angular scan range of the X-ray detector. A series of intensity measurement values ​​is acquired for each detection channel. Each series of intensity measurement values ​​is an intensity angular scan across the angular scan range of the X-ray detector. An angular offset is determined for each detection channel. The method further includes determining, for each of a plurality of detection angle bins, an intensity contribution factor for at least one of the intensity measurements. The intensity contribution factor is determined according to an angular range associated with the detection angle bin and the angular offset of the detection channel. For each of the plurality of detection angle bins, a binned intensity is determined based on the intensity of the at least one intensity measurement value and its corresponding intensity contribution factor.

[0043] 1C shows a schematic diagram of another X-ray detector 100. The X-ray detector of FIG. 1C also includes a plurality of detector elements, including a first detector element 20, a second detector element 21, a third detector element 22, a fourth detector element 23, a fifth detector element 24, a sixth detector element 25, and a seventh detector element 26. The first detector element 20 is the central detector element in the array of detector elements, and the other detector elements are arranged symmetrically on both sides of the first detector element 20.

[0044] FIG. 1D shows a schematic side view of the X-ray detector 100 of FIG. 1C mounted on a goniometer (not shown) for performing an X-ray analysis procedure. The goniometer has a detector arm to which the X-ray detector 100 is attached, which rotates the X-ray detector relative to the center 27 of the goniometer to move the X-ray detector 100 to different angular positions and scan the X-ray detector over a range of detection angles. X-ray analysis is performed in the same manner as described in connection with FIG. 1B. X-ray analysis data is collected by rotating the X-ray detector 100 over a range of detection angles with the sample under analysis positioned at the center 27 of the goniometer to perform an angular scan. As the X-ray detector 100 rotates, different detector elements scan different angular paths. For example, during an angular scan, the second detector element 22 scans a portion of its corresponding detection path 28 (represented by the dashed circle with the smallest circumference), while the fourth detector element 23 scans a portion of its corresponding detection path 29 (represented by the dashed circle with the largest circumference). Note that because the detector elements are arranged symmetrically about the center detector element, the detection path corresponding to the second detector element 21 is the same as the detection path corresponding to the fifth detector element 24, the detection path corresponding to the third detector element 22 is the same as the detection path corresponding to the sixth detector element 25, and the detection path corresponding to the fourth detector element 23 is the same as the detection path corresponding to the seventh detector element 26. The detection paths corresponding to the third detector element 22 and the sixth detector element 25 are not numbered in the figure. Similarly, the detection paths corresponding to the second detector element 21 and the fifth detector element 24 are not numbered in the figure.

[0045] In this example, the first detector element 20, which is the central detector element, is used as the reference detector element.

[0046] 2 illustrates steps of a computer-implemented method according to an embodiment of the present invention. In receiving step 201, a computer receives X-ray analysis data obtained by continuously scanning an X-ray detector having multiple detection channels over a range of detection angles. The X-ray analysis data is processed (step 203) to obtain a series of intensity measurements for each detection channel. During an angular scan, the X-ray detector moves along a scan path at a predetermined speed and obtains intensity measurements over a predetermined sampling time. Thus, each data point in the series of intensity measurements corresponds to a respective sampling step associated with an angular range determined by the predetermined speed and the predetermined sampling time. Each series of intensity measurements is an X-ray intensity angular scan (e.g., a diffraction pattern) corresponding to the detection channel for which the intensity data was measured.

[0047] Next, the X-ray analysis data is re-binned, which reassigns the X-ray intensities. A detection angle bin size is determined (step 205). The intensity data obtained from each detection channel is then re-binned across multiple detection angle bins (each detection angle bin having a determined detection angle bin size). The re-binning process is described in more detail below.

[0048] Each data point in the series of intensity measurement values ​​corresponding to a detection channel is evaluated to determine 1) which detection angle bin the detection angle associated with that data point is associated with, and 2) what proportion of the intensity associated with that data point should be assigned to the detection angle bin.

[0049] Determining which detection angle bin a data point is associated with is performed taking into account the angle offset associated with the relevant detection channel (step 207).

[0050] Determining what proportion of the intensity associated with a data point should be assigned to a detection angle bin includes determining an intensity contribution factor. The intensity contribution factor is calculated taking into account the angular offset between each detection channel and the angular range of the detection angle bin (step 209). If a data point corresponds to a single detection angle bin, the intensity contribution factor is determined so that the entire intensity is assigned to that detection angle bin. If a data point corresponds to multiple detection bins (i.e., if the data point corresponds to two adjacent detection bins), the intensity contribution factor divides the intensity associated with the data point between the detection bins.

[0051] The method further includes determining 211, for each of a plurality of detection angle bins, a binned intensity based on the intensity of the at least one intensity measurement and its corresponding intensity contribution factor.

[0052] FIG. 3A shows multiple angular intensity curves, each corresponding to a different X-ray detection channel. Note that the data for each X-ray detection channel is vertically shifted to clearly show the data obtained from the different X-ray detection channels. Each group of data points (e.g., the first group of data points, the second group of data points, etc. in each series) corresponds to an individual sampling step. The angular offset between the detection channels is taken into account. It can be seen that the different channels measure the same signal at different detection angles (according to the angular offset). The first curve 31 corresponds to the first detection channel, the second curve 32 corresponds to the second detection channel, the third curve 33 corresponds to the third detection channel, the fourth curve 34 corresponds to the fourth detection channel, and the fifth curve 35 corresponds to the fifth detection channel.

[0053] Figure 3B shows the x-ray intensity angular scan data of Figure 3A. In Figure 3B, the intensity data has not been shifted so that all data points form part of the same curve.

[0054] Figure 4 is a schematic diagram illustrating a rebinning process according to an embodiment of the present invention. Figure 4 is described with reference to an X-ray detector with five detection channels. However, it will be understood that any number of detection channels may be used.

[0055] As shown in FIG. 4 , each detection channel acquires X-ray intensity data in a series of sampling steps. Because the X-ray detector collects X-ray analysis data in a continuous scan (i.e., the X-ray detector moves continuously rather than in discrete steps), the X-ray analysis data is collected over an angular range that does not match the size of the detection channel (as opposed to a step scan). Instead, the size of the sampling step is determined by the sampling time and the scanning speed of the X-ray detector, both of which are predetermined scanning parameters. As shown in FIG. 4 , the X-ray analysis data acquired by the first channel 401 includes a first intensity measurement 402, a second intensity measurement 403, and a third intensity measurement 404, each of which corresponds to an individual sampling step. The intensity measurements (i.e., the intensities measured during the sampling steps) are centered at the sampling steps. Note that the X-ray data acquired from different detection channels are shifted according to the angular offset between the detection channels. For example, the angular offset between the first detection channel 401 and the fourth detection channel 424 is given by Δθ.

[0056] The X-ray analysis data is processed to rebin the X-ray analysis data into multiple detection angle bins 431, 432, 433, and 434. First, a detection angle bin size must be determined (selected), which may be different from or equal to the sampling step size. Next, the intensity data is redistributed to each detection angle bin. For sampling steps that fall entirely within the angular range of a detection angle bin, the corresponding intensity measurements are assigned to the detection angle bin (e.g., the first sampling steps of the first, second, and third detection channels 412, 413, and 414 fall entirely within the first detection angle bin 431). For sampling steps that span multiple detection angle bins (e.g., the sampling steps corresponding to the fourth and fifth channels span the first detection angle bin 431 and the second detection angle bin 432), for these sampling steps, a portion of the first intensity measurements are assigned to the first detection angle bin 431 and the remainder are assigned to the second detection angle bin 432. The assigned percentage is determined by calculating an intensity contribution factor. The intensity contribution factor reflects the percentage of the angular range associated with the corresponding sampling step that overlaps with the associated detection angle bin. For example, if 80% of the first sampling step of the fourth channel 424 overlaps with the first detection angle bin 431 and 20% of the first sampling step of the fourth channel overlaps with the second detection angle bin 432, then 80% of the first intensity measurement of the fourth detection channel is assigned to the first detection angle bin and 20% is assigned to the second detection angle bin. Furthermore, if 60% of the first sampling step of the fifth channel overlaps with the first detection angle bin 431 and 40% of the first sampling step of the fifth channel overlaps with the second detection angle bin 432, then 60% of the first intensity measurement of the fifth detection channel is assigned to the first detection angle bin and 40% is assigned to the second detection angle bin 432. In this manner, the intensity contribution factors are determined based on the angular offset between the detection channels and the angular range associated with the detection angle bins.

[0057] Once the intensity contributions from each detection channel to a detection angle bin have been determined, the intensity contributions are summed to determine a binned total intensity for each detection angle bin. The binned total intensity value is assigned to the center of each detection angle bin. For example, if the detection angle bin size is 0.05 degrees 2θ and is located between 10.0 degrees 2θ and 10.05 degrees 2θ, the center of this detection angle bin is 10.025 degrees (halfway between the start and end of the detection angle bin).

[0058] 5 shows experimental data illustrating how methods in accordance with embodiments of the present invention can achieve high-quality results. A first signal 51 represents X-ray analysis data in which the angular offset between detector channels is taken into account in accordance with embodiments of the present invention. A second signal 52 represents X-ray analysis data processed according to a comparable algorithm that assumes equal angular distances between detector channels. As shown in FIG. 5, the first signal 51 has better peak resolution than the second signal 52.

[0059] FIG. 6 shows an X-ray analysis apparatus 600 according to an embodiment of the present invention. The X-ray analysis apparatus includes an X-ray source 601 for irradiating a sample 603 with X-rays and an X-ray detector 605 for receiving X-rays from the sample. The X-ray detector has the same structure as that described in connection with FIGS. 1A and 1C (i.e., has multiple detection channels). The X-ray detector 605 is communicatively coupled to a computing device 608. The computing device 608 is configured to receive X-ray analysis data from the X-ray detector 605 and process the X-ray analysis data to generate an X-ray analysis scan. In an embodiment, a processor 610 is configured to perform the steps of the method shown in FIG. 2.

[0060] The processor 610 is configured to receive X-ray analysis data obtained by continuously scanning the X-ray detector 605 over a range of detection angles. The processor 610 processes the X-ray analysis data to obtain a series of intensity measurement values ​​for each detection channel of the X-ray detector 605. During the angular scan, the X-ray detector moves along a scan path at a predetermined speed and a predetermined sampling time. Thus, each data point in the series of intensity measurement values ​​corresponds to a respective sampling step associated with an angular range determined by the predetermined speed and the predetermined sampling time. Each series of intensity measurement values ​​is an X-ray intensity angular scan (e.g., a diffraction pattern) corresponding to the detection channel for which the intensity data was measured.

[0061] The processor 610 then rebins the X-ray analysis data and reassigns the X-ray intensities. In some embodiments, the processor determines a detection angle bin size. In some embodiments, determining the detection angle bin size includes receiving the detection angle bin size via user input 609 of the computer 608. The intensity data obtained from each detection channel is then rebinned by the processor 610 across multiple detection angle bins (each having the determined detection angle bin size).

[0062] Each data point in the series of intensity measurement values ​​corresponding to a detection channel is evaluated to determine 1) which detection angle bin the detection angle associated with that data point is associated with, and 2) what proportion of the intensity associated with that data point should be assigned to the detection angle bin.

[0063] The processor determines which detection angle bin the data point is associated with, and this determination is performed taking into account the angular offset associated with the relevant detection channel.

[0064] The processor is configured to determine what proportion of the intensity associated with the data point should be assigned to the detection angle bin, where the determination includes determining an intensity contribution factor. The intensity contribution factor is calculated taking into account the angular offset between each detection channel and the angular range of the detection angle bin. If the data point corresponds to a single detection angle bin, the intensity contribution factor is determined so that the entire intensity is assigned to that detection angle bin. If the data point corresponds to multiple detection bins (i.e., if the data point corresponds to two adjacent detection bins), the intensity contribution factor divides the intensity associated with the data point between the detection bins.

[0065] Additionally, the processor determines, for each of the plurality of detection angle bins, a binned intensity based on the intensity of the at least one intensity measurement and its corresponding intensity contribution factor.

[0066] Variations of the disclosed embodiments can be understood and effected by those skilled in the art in practicing the claimed invention, from a study of the drawings, the disclosure, and the appended claims. In the claims, the words "comprise," "comprising," and "having" do not exclude other elements or steps, and the indefinite article "a" or "an" does not exclude a plurality.

[0067] It will be understood that the terms "detection element" and "detection channel" can be used interchangeably.

[0068] It will be understood that the terms "reference detector element" and "reference detector channel" can be used interchangeably.

[0069] It will be appreciated that in general, methods according to embodiments of the present invention can be applied either in real time (while measurements are being taken) or in post-processing (by analyzing all frames measured by the detector after data collection has finished), each frame being a set of detector channel measurements obtained by the X-ray detector at a particular stage of the angular scan (i.e., a particular angular position of the X-ray detector).

[0070] It will be appreciated that the angle of incidence ω of the X-ray beam illuminating the sample may be constant or variable during the measurement depending on the type of measurement, and that methods according to embodiments of the present invention are applicable in either case.

[0071] Although the drawings show an X-ray detector with five detector elements (detector channels), it will be understood that the X-ray detector may have any number of detector elements. The X-ray detector is a planar X-ray detector.

[0072] It will be appreciated that methods according to embodiments of the present invention are applicable to scanning measurements made with one-dimensional X-ray detectors and two-dimensional X-ray detectors (including measurements made with two-dimensional X-ray detectors operated in one-dimensional mode).

[0073] It will be appreciated that in some embodiments, the steps of the method shown in Figure 2 may be performed in a different order. For example, the step of determining the bin size may be performed at the beginning of the method or at any time before rebinning the x-ray intensity data.

[0074] The angular range of the multiple bins (bin size) may be the same or different depending on the predetermined scan speed and sampling time.

[0075] The angular size of the X-ray detector depends on the linear size of the X-ray detector and the distance from the sample to the X-ray detector: an X-ray detector with a small linear size located closer to the sample may have a larger angular size than an X-ray detector with a large linear size located further from the sample.

[0076] It will be appreciated that in embodiments, any detector element can be used as the reference detector element. In some embodiments, the X-ray detector is positioned such that the reference detector element is at the center of the array of detector elements of the X-ray detector (i.e., detector elements other than the reference detector element are positioned symmetrically around the reference detector element). In some other embodiments, the X-ray detector is positioned such that the reference detector element is not at the center of the array of detector elements.

[0077] The functionality implemented by a processor may be implemented by a single processor, or by multiple separate processing units which together may be considered to constitute a “processor.” Such processing units may in some cases be remote from each other and in wired or wireless communication with each other.

[0078] The mere fact that certain measures are recited in mutually different dependent claims does not indicate that a combination of these measures cannot be used to advantage.

[0079] The computer program may be stored / distributed on any suitable medium, for example on an optical storage medium or a solid-state medium supplied together with or as part of other hardware, but the computer program may also be distributed in other forms, for example via the Internet or other wired or wireless telecommunications systems.

[0080] It should be noted that when the term "adapted to" is used in the claims or the specification, it is intended to be equivalent to the term "configured to." It should be noted that when the term "arrangement" is used in the claims or the specification, it is intended to be equivalent to the term "system," and vice versa.

[0081] Any reference signs in the claims should not be construed as limiting the scope of the claim.

Claims

1. 1. A computer-implemented method for X-ray analysis, comprising: receiving X-ray analysis data from an X-ray detector having a plurality of detection channels, wherein the X-ray analysis data includes angular scan intensity data obtained by measuring X-ray intensities while continuously scanning the X-ray detector across an angular scan range of the X-ray detector; acquiring a series of intensity measurements for each detection channel, wherein the series of intensity measurements is an intensity angular scan across an angular scan range of the X-ray detector; determining detection angle bin sizes for a plurality of detection angle bins; determining an angular offset for each of the detection channels; determining an intensity contribution factor for each of the detection channels for at least one of the intensity measurements for each of the plurality of detection angle bins, wherein the intensity contribution factor is determined according to an angular range associated with the detection angle bin and an angular offset of the detection channel; determining a binned intensity for each of the plurality of detection angle bins based on the intensity of the at least one intensity measurement and its corresponding intensity contribution factor; Including, method.

2. 10. The computer-implemented method of claim 1, The method comprises: for each of the plurality of detection angle bins, selecting at least one intensity measurement value associated with the detection angle bin based on an angular scan range associated with the intensity measurements and an angular range associated with the detection angle bin; wherein the intensity measurements correspond to an angular range that at least partially overlaps with the angular range of the detection angular bin. method.

3. 3. The computer-implemented method of claim 2, comprising: For the first detection angle bin, selecting a first intensity measurement and a second intensity measurement in at least one of the successive sets of intensity measurements, wherein: the first intensity measurements are obtained over an angular scan range that corresponds at least in part to an angular range of at least one of the detection angle bins; the second intensity measurements include intensity data obtained over an angular range corresponding at least in part to an angular range of at least one of the detection angle bins; determining a first intensity contribution factor based on a percentage of an overlap between an angular range of the first intensity measurement and an angular range of at least one of the detection angle bins; determining a second intensity contribution factor based on a ratio of an angular range of the second intensity measurement to an angular range of at least one of the detection angle bins; further comprising: method.

4. 4. The computer-implemented method of claim 3, comprising: determining a binned intensity for the first detection angle bin; Determining the binned intensity of the first detection angle bin comprises: selecting a plurality of detection channel intensity measurements corresponding to a first detection channel; determining a first intensity contribution factor for a detection channel strength measurement preceding the selected detection channel strength measurement; determining a second intensity contribution factor for a detected channel strength measurement subsequent to the selected detected channel strength measurement; summing a product of an intensity associated with a first detected channel intensity measurement and the first intensity contribution factor and a product of an intensity associated with a second detected channel intensity measurement and the second intensity contribution factor; Including, method.

5. 5. The computer-implemented method of claim 4, comprising: selecting a plurality of intensity measurements for each of the detection angle bins, wherein each of the intensity measurements is associated with an angular scan range that at least partially corresponds to an angular range of at least one of the detection angle bins, and at least some of the intensity measurements belong to different successive sets of intensity measurements; determining an intensity contribution factor for each intensity measurement based on a percentage of an angular range of the first intensity measurement that overlaps with an angular range of at least one of the detection angle bins; determining binned intensities by summing the products of the intensities associated with the corresponding intensity measurements and their corresponding intensity contribution factors; further comprising: method.

6. 6. A computer-implemented method according to any one of claims 1 to 5, comprising: receiving x-ray analysis data from an x-ray analysis device configured to irradiate a sample at an angle of incidence ω and detect x-rays from the sample at an angle 2θ, wherein the x-ray analysis data includes a series of sets of intensity measurements for each of the detection channels, the intensity measurements indicative of intensity as a function of angular position of the x-ray detector; for each of the detection channels other than a reference detection channel, adjusting the angular scan range based on an angular offset between the detection channel and the reference detection channel; further comprising: method.

7. 7. A computer-implemented method according to any one of claims 1 to 6, comprising: generating an X-ray analysis scan representing the binned intensity as a function of detection angle; outputting said X-ray analysis scan; further comprising: method.

8. 1. A processor for processing x-ray analysis data from an x-ray detector having a plurality of detection channels, comprising: The processor: receiving X-ray analysis data from the X-ray detector having the plurality of detection channels, wherein the X-ray analysis data includes angular scan intensity data obtained by measuring X-ray intensities while continuously scanning the X-ray detector over an angular scan range of the X-ray detector; acquiring a series of intensity measurements for each detection channel, wherein the series of intensity measurements is an intensity angular scan across an angular scan range of the X-ray detector; determining detection angle bin sizes for a plurality of detection angle bins; determining an angular offset for each of the detection channels; determining an intensity contribution factor for each of the detection channels for at least one of the intensity measurements for each of the plurality of detection angle bins, wherein the intensity contribution factor is determined according to an angular range associated with the detection angle bin and an angular offset of the detection channel; determining a binned intensity for each of the plurality of detection angle bins based on the intensity of the at least one intensity measurement and its corresponding intensity contribution factor; configured to: Processor.

9. 9. The processor of claim 8, determining an angular scan range associated with each of the intensity measurements based on the angular offset of the corresponding detection channel; for each of the plurality of detection angle bins, selecting at least one intensity measurement value associated with the detection angle bin; It is configured to wherein the intensity measurements correspond to an angular range that at least partially overlaps with the angular range of the detection angular bin. Processor.

10. 10. The processor of claim 9, For the first detection angle bin, selecting a first intensity measurement and a second intensity measurement in at least one of the successive sets of intensity measurements, wherein: the first intensity measurements are obtained over an angular scan range that corresponds at least in part to an angular range of at least one of the detection angle bins; the second intensity measurements include intensity data obtained over an angular range corresponding at least in part to an angular range of at least one of the detection angle bins; determining a first intensity contribution factor based on a percentage of an overlap between an angular range of the first intensity measurement and an angular range of at least one of the detection angle bins; determining a second intensity contribution factor based on a ratio of an angular range of the second intensity measurement to an angular range of at least one of the detection angle bins; configured to: Processor.

11. 11. The processor of claim 10, determining a binned intensity for the first detection angle bin; Determining the binned intensity of the first detection angle bin comprises: selecting a plurality of detection channel intensity measurements corresponding to a first detection channel; determining a first intensity contribution factor for a detection channel strength measurement preceding the selected detection channel strength measurement; determining a second intensity contribution factor for a detected channel strength measurement subsequent to the selected detected channel strength measurement; summing a product of an intensity associated with a first detected channel intensity measurement and the first intensity contribution factor and a product of an intensity associated with a second detected channel intensity measurement and the second intensity contribution factor; Including, Processor.

12. 12. A processor according to any one of claims 9 to 11, selecting a plurality of intensity measurements for each of the detection angle bins, wherein each of the intensity measurements is associated with an angular scan range that at least partially corresponds to an angular range of at least one of the detection angle bins, and at least some of the intensity measurements belong to different successive sets of intensity measurements; determining an intensity contribution factor for each intensity measurement based on a percentage of an angular range of the first intensity measurement that overlaps with an angular range of at least one of the detection angle bins; determining binned intensities by summing the products of the intensities associated with the corresponding intensity measurements and their corresponding intensity contribution factors; configured to: Processor.

13. 13. A processor according to any one of claims 8 to 12, comprising: receiving x-ray analysis data from an x-ray analysis device configured to irradiate a sample at an angle of incidence ω and detect x-rays from the sample at an angle 2θ, wherein the x-ray analysis data includes a series of sets of intensity measurements for each of the detection channels, the intensity measurements indicative of intensity as a function of angular position of the x-ray detector; for each of the detection channels other than a reference detection channel, adjusting the angular scan range based on an angular offset between the detection channel and the reference detection channel; configured to: Processor.

14. 1. An X-ray analysis apparatus for analyzing materials, comprising: an X-ray source; an X-ray detector having an array of detection channels; A processor according to any one of claims 8 to 13; Equipped with Device.

15. 1. A computer program product comprising: The method includes instructions for causing the computer to perform the steps of any one of claims 1 to 7, The computer executes each of the steps when the program is executed by the computer. Computer program products.

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