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1. 发明授权

US11681778B2 Analysis data processing method and analysis data processing device 有权
公开(公告)号：US11681778B2
公开(公告)日：2023-06-20
申请号：US16322338
申请日：2016-08-03
申请人： SHIMADZU CORPORATION
发明人： Akira Noda
IPC分类号： G06F17/18 , G06N99/00 , G01N30/78 , G01N21/00 , G16B40/00 , G16B40/30 , G01N21/35 , G01N23/223 , G01N27/62 , G01N30/86 , G01N33/44 , G01N33/48 , G06N3/08
CPC分类号： G06F17/18 , G01N21/00 , G01N21/35 , G01N23/223 , G01N27/62 , G01N30/78 , G01N30/8675 , G01N33/442 , G01N33/48 , G06N3/08 , G06N99/00 , G16B40/00 , G16B40/30
摘要： An analysis data processing method for processing analysis data collected with an analyzing device for each of a plurality of samples, by applying an analytical technique using statistical machine learning to multidimensional analysis data formed by output values obtained from a plurality of channels of a multichannel detector provided in the analyzing device, the method including: acquiring a non-linear regression or non-linear discrimination function expressing analysis data obtained for known samples; calculating a contribution value of each of the output values obtained from the plurality of channels forming the analysis data of the known samples, to the acquired non-linear regression or non-linear discrimination function, based on a differential value of the non-linear regression function or non-linear discrimination function; and identifying one or more of the plurality of channels of the detector, which are to be used for processing analysis data obtained for an unknown sample, based on the contribution value.

2. 发明授权

US10429365B2 Chromatogram data processing system 有权
公开(公告)号：US10429365B2
公开(公告)日：2019-10-01
申请号：US15022626
申请日：2013-10-16
申请人： SHIMADZU CORPORATION
发明人： Akira Noda , Yasuhiro Mito
IPC分类号： G01N30/86 , G01N30/74
摘要： For vector A which expresses an absorption spectrum of a target component, vector F orthogonal to vector A is designated as a filter for extracting an impurity superposed on the target component on a chromatogram. For vector I which expresses a measured spectrum obtained by a chromatographic analysis performed on a sample, the inner product of vectors I and F is defined as an index value u of the amount of impurity. If an impurity is present, a peak-like waveform appears on a graph which shows a temporal change in the index value u for the measured spectrum obtained at each point in time of the measurement. By detecting this waveform, the presence or absence of the impurity can be correctly determined. The direction of vector F may be determined so that, when vector B which expresses a spectrum of the impurity is decomposed into vector Ba parallel to vector A and vector Bo orthogonal to vector A, vector F becomes nearly parallel to vector Bo (i.e. the cosine similarity index is maximized).

3. 发明授权

US10236167B1 Peak waveform processing device 有权
公开(公告)号：US10236167B1
公开(公告)日：2019-03-19
申请号：US15891641
申请日：2018-02-08
申请人： SHIMADZU CORPORATION
发明人： Akira Noda
IPC分类号： H01J49/00 , H01J49/40
摘要： An upsampler 22 performs upsampling based on actual measurement data forming a profile spectrum obtained with a time-of-flight mass spectrometer 1, to insert interpolation data between the temporally adjacent actual measurement data and make the waveform smoother. Subsequently, a peak waveform processor 23 determines the centroid position, peak area or other relevant values by performing centroid processing which employs trapezoidal approximation or similar technique. The smoothing of the waveform between adjacent measurement data improves the accuracy of the centroid processing, whereby a systematic error in the estimation of the centroid position or calculation of the peak area is reduced. Therefore, even when the number of data points forming one peak on a measured waveform is small, the centroid position and other kinds of peak information can be obtained with a high level of accuracy, and the performance of qualitative or quantitative determination is thereby improved.

4. 发明授权

US09995922B2 Analysis target region setting apparatus 有权
公开(公告)号：US09995922B2
公开(公告)日：2018-06-12
申请号：US14773057
申请日：2013-03-08
申请人： SHIMADZU CORPORATION
发明人： Akira Noda
IPC分类号： G02B21/36 , G01J3/02 , G01J3/10 , G01J3/453 , G01N21/35 , G06K9/00 , G06T7/00 , G06T7/11 , G06K9/62
CPC分类号： G02B21/361 , G01J3/0248 , G01J3/0275 , G01J3/0289 , G01J3/108 , G01J3/28 , G01J3/453 , G01N21/35 , G01N2021/3595 , G02B21/365 , G06K9/0014 , G06K9/6202 , G06T7/0004 , G06T7/11 , G06T2207/10048 , G06T2207/10056 , G06T2207/20056 , G06T2207/30164
摘要： Provided is an analysis target region setting apparatus that can accurately set an analysis target region, based on an observation image of a sample obtained with an optical microscope and the like irrespective of texture on the sample surface when the analysis target region is set therein. The analysis target region setting apparatus according to the present invention divides the observation image into a plurality of sub-regions based on pixel information on each pixel constituting the observation image. Subsequently, consolidation information on each sub-region is calculated, and two adjacent sub-regions themselves are consolidated based on the consolidation information. According to this, it is possible to divide the observation image into sub-regions having similar pixel information with a disregard of noise attributed to the shape of a surface and the like. A user designates one sub-region from among the sub-regions finally obtained, as the analysis target region.

5. 发明授权

US10725000B2 Chromatogram data processing method and device 有权
公开(公告)号：US10725000B2
公开(公告)日：2020-07-28
申请号：US16068197
申请日：2016-01-06
申请人： Shimadzu Corporation
发明人： Akira Noda
IPC分类号： G01R15/00 , G01N30/86
摘要： Wavelength spectrums of peaks detected on a chromatogram based on observation data to be processed are extracted to create a spectrum set {Sn′} in which the intensity values of the spectrums are normalized (S10, S11). One wavelength spectrum is selected from the set, and a vector of the wavelength spectrum at each point in time of measurement based on the observation data is projected so as to be perpendicular to the vector of the selected spectrum (S12 to S14). The vectors of the wavelength spectrums in the set {Sn′ } are also similarly projected (S15). Consequently, the selected spectrum is erased from the set {Sn′}. The processes from S12 to S16 are repeated until the set {Sn′ } does not include a spectrum, and the obtained signals are added (S17). The signal resulting from the addition is a signal indicating the waveform shape of an unknown baseline. A baseline spectrum is obtained by fitting the signal to a chromatogram at each wavelength obtained from the observation data, and a baseline signal at each wavelength is calculated from the baseline spectrum and the baseline chromatogram. As a result, a baseline can be automatically estimated without setting of a parameter and the like by a user.

6. 发明授权

US10416134B2 Chromatogram data processing method and chromatogram data processing apparatus 有权
公开(公告)号：US10416134B2
公开(公告)日：2019-09-17
申请号：US15508285
申请日：2014-09-03
申请人： SHIMADZU CORPORATION
发明人： Akira Noda
IPC分类号： G01N30/86 , G01N30/46
摘要： The EM algorithm for a Gaussian mixture model is applied to the separation of peaks that overlap one another on a chromatogram. However, the number of overlapping components is unknown. Thus, a suitable number of models is set, and the fitting of model parameters is performed while an actually measured signal is appropriately divided for each model by the EM algorithm. Then, when a solution converges, a determination is made as to whether a peak-like waveform is present in a residue signal that is not divided. When the peak-like waveform is present, a peak model is added. The EM algorithm is executed again. In the M step, optimization is performed using, not only a simple Gaussian function, but also a modified Gaussian function assuming a tailing. In the M step, the estimation of a spectrum assuming a chromatogram and the estimation of a chromatogram assuming a spectrum are repeatedly performed.

7. 发明授权

US10198630B2 Peak detection method 有权
公开(公告)号：US10198630B2
公开(公告)日：2019-02-05
申请号：US14917364
申请日：2013-09-09
申请人： SHIMADZU CORPORATION
发明人： Akira Noda , Hiroaki Kozawa
IPC分类号： G06F11/00 , G06K9/00 , G01N30/86
摘要： For a signal waveform to be processed, the continuous wavelet transform is performed with various scale factors, and a wavelet coefficient at each point in time is calculated. On an image showing the strength of the wavelet coefficient with respect to the scale factor and time, ridge lines are detected, and based on these ridge lines, positive and negative peak candidates are extracted, after which an error in the position and width of the peak due to the influence of a neighboring peak is corrected. Subsequently, the degree of non-symmetry of the peak shape or other features are examined to remove false negative peaks due to negative peak artifacts. Subsequently, a true peak cluster, a false peak cluster resulting from the removal of high-frequency components of a high-frequency noise or other causes, and other kinds of peaks are identified, and the obtained result is used to remove false peaks.

8. 发明授权

US10161793B2 Spectrum analysis apparatus and calibration method 有权
公开(公告)号：US10161793B2
公开(公告)日：2018-12-25
申请号：US15714159
申请日：2017-09-25
申请人： Shimadzu Corporation
发明人： Akira Noda
IPC分类号： G01J3/00 , G01J3/02 , G01N21/27 , G01N30/74 , G01J3/10 , G01J3/18 , G01N21/25 , G01J3/42
摘要： In a spectrum analysis apparatus, a controller controls selection of an adequate the correction device based on a plurality of corrected absorption spectra corrected by a plurality of correction devices acquired in advance for eliminating an effect of stray light.

9. 发明授权

US11341404B2 Analysis-data analyzing device and analysis-data analyzing method that calculates or updates a degree of usefulness of each dimension of an input in a machine-learning model 有权
公开(公告)号：US11341404B2
公开(公告)日：2022-05-24
申请号：US15921107
申请日：2018-03-14
申请人： SHIMADZU CORPORATION
发明人： Akira Noda
IPC分类号： G06N3/04 , G06N3/08 , G06N5/04 , G06N7/00 , G06N7/08 , G06N20/10 , G06F17/18 , G06K9/00 , G01N30/86
摘要： Using training data, machine learning is performed to construct a learning model which is a non-linear function for discrimination or regression analysis (S2). A degree of contribution of each input dimension is calculated from a partial differential value of that function. Input dimensions to be invalidated are determined using a threshold defined by a Gaussian distribution function based on the degrees of contribution (S3-S5). Machine learning is once more performed using the training data with the partially-invalidated input dimensions (S6). A new value of the degree of contribution of each input dimension is determined from the obtained learning model, and the degree of contribution is updated using the old and new values (S7-S8). After the processes of Steps S5-S8 are iterated a specified number of times (S9), useful dimensions are determined based on the finally obtained degrees of contribution, and the machine-learning model is constructed (S10).

10. 发明授权

US10060795B2 Multichannel spectrophotometer and data processing method for multichannel spectrophotometer 有权
公开(公告)号：US10060795B2
公开(公告)日：2018-08-28
申请号：US15550006
申请日：2015-02-09
申请人： Shimadzu Corporation
发明人： Masahide Gunji , Akira Noda , Kensuke Otake
IPC分类号： G01J3/28 , G01J3/36 , G01J3/42 , G01J3/12
CPC分类号： G01J3/36 , G01J3/12 , G01J3/28 , G01J3/2803 , G01J3/42
摘要： A problem addressed by the present invention is to reduce the influence of stray light incident on each light-receiving element in the case of receiving each wavelength of light using a plurality of light-receiving elements. The multichannel spectrophotometer according to the present invention is a detector for simultaneously detecting the entirety of wavelength-dispersed light obtained by introducing light from a sample to a light-dispersing element (16) and dispersing this light into wavelengths by the light-dispersing element (16), including: a multichannel-type detector (17) including a plurality of light-receiving elements arranged in a one-dimensional form in a wavelength-dispersing direction of the light-dispersing element; a light amount calculator (221) for calculating the amount of light from a detection signal of each of the plurality of light-receiving elements (PD); a spectrum creator (222) for creating, from the amounts of light calculated by the light amount calculator (221), a spectrum showing a relationship between wavelength and the amount of light; and a computing section (224) for estimating, from the spectrum, the amount of stray light incident on each light-receiving element (PD) and correcting the spectrum by subtracting, from the amount of wavelength-dispersed light incident on each light-receiving element, the amount of stray light.

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