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公开(公告)号：US20160238575A1
公开(公告)日：2016-08-18
申请号：US15027763
申请日：2013-10-17
申请人： SHIMADZU CORPORATION
发明人： Hiroaki KOZAWA
IPC分类号： G01N30/86
CPC分类号： G01N30/8631
摘要： A device for detecting a peak end point including a peak end point position detecting unit for using, as a base point, a position on horizontal axis at which a local maximum value is obtained to detect, as a position on horizontal axis of a peak end point, a first point at which a value of the inflection point extraction waveform decreases to the relative threshold value in a direction farther from a position on horizontal axis corresponding to the peak top position, and detecting, as the peak end point, a point on the peak detection target waveform corresponding to the position on horizontal axis of the peak end point.
摘要翻译： 一种用于检测峰值终点的装置，包括峰值端点位置检测单元，用于将获得局部最大值的水平轴上的位置用作基点，作为峰值端的水平轴上的位置 点，第一点，拐点提取波形的值在远离与峰顶位置对应的水平轴上的位置的方向上减小到相对阈值，并且检测作为峰值终点的点 峰值检测目标波形对应于峰值端点的水平轴上的位置。
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公开(公告)号：US20190064130A1
公开(公告)日：2019-02-28
申请号：US15780921
申请日：2015-12-03
申请人： SHIMADZU CORPORATION
发明人： Shinji KANAZAWA , Hiroaki KOZAWA
IPC分类号： G01N30/86
摘要： A method for detecting a peak in data of a chromatogram or a spectrum, includes: detecting multiple tentative peaks in the data on the basis of a predetermined criterion; determining an actual measurement value of a predetermined feature value indicating a size of a tentative peak from each of the detected multiple tentative peaks, the feature value; determining a smoothed curve on the basis of respective horizontal axis values and actual measurement values of the multiple tentative peaks; determining a reference value of the feature value with respect to each of the multiple tentative peaks from the smoothed curve; and detecting, of the multiple tentative peaks, a tentative peak whose actual measurement value is within a predetermined range from the corresponding reference value as a true peak. Only tentative peaks whose actual measurement value is within a predetermined range from the corresponding reference value as a true peak.
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3.发明申请公开(公告)号：US20220107294A1
公开(公告)日：2022-04-07
申请号：US17494877
申请日：2021-10-06
申请人： SHIMADZU CORPORATION
发明人： Yuki ISHIKAWA , Hiroaki KOZAWA
摘要： A sample chromatogram produced by measurement of a mobile phase into which a sample has been injected is acquired by a sample chromatogram acquirer. A background chromatogram produced by measurement of a mobile phase into which a sample is not injected or a mobile phase into which a control sample is injected is acquired by a background chromatogram acquirer. Alignment of a sample chromatogram and a background chromatogram is performed by an alignment processor by causing of baselines of the acquired sample chromatogram and the acquired background chromatogram to coincide with each other. Subtraction processing of subtracting a background chromatogram from a sample chromatogram after alignment is executed by a subtraction processor.
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公开(公告)号：US20210013019A1
公开(公告)日：2021-01-14
申请号：US17041859
申请日：2018-04-26
申请人： SHIMADZU CORPORATION
摘要： For an automatic adjustment of a detector voltage, a measurement of a standard sample is performed, in which a reflection voltage generator under the control of an autotuning controller applies, to a reflector, voltages which are different from those applied in a normal measurement and do not cause temporal conversion of ions. Ions having the same m/z simultaneously ejected from an ejector are dispersed in the temporal direction and reach a detector. Therefore, a plurality of low peaks corresponding to individual ions are observed on a profile spectrum. A peak-value data acquirer determines a wave-height value of each peak. A wave-height-value list creator creates a list of wave-height values. A detector voltage determiner searches for a detector voltage at which the median of the wave-height values in the wave-height-value list falls within a reference range.
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公开(公告)号：US20180284065A1
公开(公告)日：2018-10-04
申请号：US15766477
申请日：2015-10-07
申请人： SHIMADZU CORPORATION
摘要： Under the control of an analysis control unit (5), a mass spectrometer unit (2) performs a product-ion scan measurement for a target component in a target sample within a time range where the component is introduced. It also performs a scan measurement over an m/z range including the m/z of an ion originating from a standard component within the same segment of time. A mass correction information calculator (42) calculates mass correction information from measured and theoretical values of the m/z of the ion originating from the standard component observed on an MS spectrum obtained by the scan measurement. Using the mass correction information, a mass corrector (43) corrects the m/z of each ion peak originating from the target component observed on an MS/MS spectrum obtained by the product-ion scan measurement performed within the same cycle as the scan measurement concerned. It is possible to consider that the MS measurement and the MS/MS measurement within the same cycle have been almost simultaneously carried out. Accordingly, a mass correction which is almost equivalent to an internal standard method can be achieved.
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公开(公告)号：US20220237261A1
公开(公告)日：2022-07-28
申请号：US17518257
申请日：2021-11-03
摘要： Provided is a method for determining a first N×K matrix S and second K×M matrix P, using factor number K, so that their product SP approximates to an N×M data matrix X obtained by analyzing a sample containing an unknown number of components. Multiple candidates of regularization parameter λr and one sparsity-inducing regularization function R(S,P) are prepared. For each regularization-parameter candidate λr, a candidate Sr of matrix S and candidate Pr of matrix P which minimize a loss function L(S,P)=D(X|SP)+λrR(S,P) are determined, where D(X|SP) is a distance function expressing the degree of difference between X and SP. For each combination of matrix element Xnm in X and corresponding matrix element (SrPr)nm in SrPr, a transformed value ynm=Fnm(Xnm(SrPr)nm) is determined using function Fnm which performs variable transform from probability distribution Pnm corresponding to D(Xnm|(SP)nm) into common probability distribution Pcommon, and goodness of fit between ynm and Pcommon is calculated. Among the candidates of λr, a candidate is found which yields the highest value of the goodness of fit, or one which yields the goodness of fit higher than a predetermined threshold and also has the largest value of λr. The matrix candidates Sr and Pr determined for the found λr are selected as the first and second matrices S and P.
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公开(公告)号：US20220236238A1
公开(公告)日：2022-07-28
申请号：US17502123
申请日：2021-10-15
摘要： In order to appropriately set MSm analysis conditions, an MSm-1 analysis executer (51) makes a mass spectrometer (20) perform an MSm-1 analysis (where m is an integer from 2 to n) to acquire three-dimensional data showing an intensity for each of the N m/z values and each of the M retention times (where N and M are natural numbers). Based on the three-dimensional data, a data matrix creator (41) creates data matrix X in which intensity data are arranged in N rows which differ from each other in m/z value and M columns which differ from each other in retention-time value. A matrix factorization executer (42) determines an N×K spectrum matrix S and K×M profile matrix P (where K is a natural number) by matrix factorization based on data matrix X so that this matrix X is approximated by product SP of the matrices S and P. An m/z detector (43) detects m/z of a precursor ion originating from a sample component from the values of the matrix elements in each column of matrix S. A retention time detector (44) detects the retention time of a sample component from the values of the matrix elements in each row of matrix P. Based on the m/z and retention time, an MSm analysis execution condition determiner (45) determines an execution condition of an MSm analysis including the selection and fragmentation of a precursor ion of a sample component. An MSm analysis executer (52) makes the mass spectrometer execute an MSm analysis based on the execution condition.
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公开(公告)号：US20220146471A1
公开(公告)日：2022-05-12
申请号：US17518750
申请日：2021-11-04
申请人： SHIMADZU CORPORATION
IPC分类号： G01N30/86
摘要： A waveform processing assistance device includes an acquirer that acquires a correspondence relationship between a plurality of values of a waveform processing parameter and a plurality of results of waveform processing as a plurality of peak separation information pieces in regard to a plurality of peaks that are separated from one or a plurality of waveform data pieces based on the plurality of values of the waveform processing parameter, a determiner that determines robustness of each value of the waveform processing parameter based on a plurality of peak separation information pieces acquired by the acquirer, and a display controller that causes the display to display a plurality of peak separation information pieces acquired by the acquirer and a robustness information piece representing robustness of each value of the waveform processing parameter that is calculated by the determiner.
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公开(公告)号：US20190129917A1
公开(公告)日：2019-05-02
申请号：US16096329
申请日：2016-04-27
申请人： SHIMADZU CORPORATION
发明人： Shinji KANAZAWA , Hiroaki KOZAWA
摘要： A first reference line that is a regression line obtained from data within a predetermined range including a starting point of a peak detected from data of a graph showing changes in intensity with respect to a parameter, a second reference line that is a regression line obtained from data within a predetermined range including a ending point of the peak, and a third reference line connecting the starting and ending points, and one or more intermediate control points in a triangle defined by the first, second, and third reference lines are determined; and a Bezier curve between the starting point and the ending point is created to be determined to be a baseline of the peak, the Bezier curve being determined by control points of the starting point, the one or more intermediate control points, and the ending point in order on a parameter axis.
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公开(公告)号：US20170219542A1
公开(公告)日：2017-08-03
申请号：US15014534
申请日：2016-02-03
申请人： SHIMADZU CORPORATION
发明人： Hiroaki KOZAWA
IPC分类号： G01N30/86
CPC分类号： G01N30/8631 , G01N30/861 , G01N30/8696
摘要： A peak extraction method for extracting a true peak from a measured waveform, including acquiring a second derivative waveform; extracting a provisional peak on the basis of a maximum value and/or a minimum value of the second derivative waveform; determining the peak width of the provisional peak on the basis of a model peak function; computing, on the basis of the model peak function, a theoretical value for the height of the provisional peak using two points corresponding to the two ends of the peak width; computing, based on the second derivative waveform, an index value for a variation in the noise on the measured waveform; and computing an S/N ratio, which is a ratio of the peak height theoretical value and the index value, and extracting the provisional peak that is equal to or greater than a preset value as the true peak.
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