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公开(公告)号：US20190113447A1
公开(公告)日：2019-04-18
申请号：US16160505
申请日：2018-10-15
Applicant: SMITHS DETECTION INC.
Inventor： Kevin Judge , Greger Andersson , Peng Zou
IPC: G01N21/3504 , G01N21/31 , G01N21/359
Abstract: A method includes decomposing a training set to obtain a principal component matrix having a plurality of principal component vectors. The method also includes variably rejecting portions of a sample spectrum vector that do not correspond to a selected one of the plurality of principal component vectors by incrementally providing a coefficient indicative of the weighting of the selected principal component vector for selected sub-regions. A corrected spectrum vector can be obtained by excluding certain sub-regions of the sample spectrum vector and corresponding principal component vector, multiplying the sample spectrum vector with the principal component matrix for non-excluded sub-regions, providing a predicted interference vector, and subtracting the predicted interference vector from the sample spectrum vector.
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公开(公告)号：US20160033394A1
公开(公告)日：2016-02-04
申请号：US14446473
申请日：2014-07-30
Applicant: Smiths Detection Inc.
Inventor： Kevin Judge , Greger Andersson , Peng Zou
CPC classification number: G01N21/3504 , G01N21/314 , G01N21/359 , G01N2021/3545 , G01N2021/3595 , G06F19/70
Abstract: A method includes decomposing a training set to obtain a principal component matrix having a plurality of principal component vectors. The method also includes variably rejecting portions of a sample spectrum vector that do not correspond to a selected one of the plurality of principal component vectors by incrementally providing a coefficient indicative of the weighting of the selected principal component vector for selected sub-regions. A corrected spectrum vector can be obtained by excluding certain sub-regions of the sample spectrum vector and corresponding principal component vector, multiplying the sample spectrum vector with the principal component matrix for non-excluded sub-regions, providing a predicted interference vector, and subtracting the predicted interference vector from the sample spectrum vector.
Abstract translation: 一种方法包括分解训练集以获得具有多个主成分向量的主成分矩阵。 该方法还包括通过递增地提供指示所选择的主分量向量对于所选择的子区域的加权的系数，可变地拒绝样本频谱矢量的不对应于多个主分量矢量中所选择的一个主分量矢量的部分。 可以通过排除样本谱矢量的某些子区域和相应的主分量矢量，将样本谱矢量与未排除的子区域的主分量矩阵相乘，提供预测干扰矢量，并减去 来自样本谱矢量的预测干扰矢量。
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公开(公告)号：US10942117B2
公开(公告)日：2021-03-09
申请号：US16160505
申请日：2018-10-15
Applicant: SMITHS DETECTION INC.
Inventor： Kevin Judge , Greger Andersson , Peng Zou
IPC: G01N21/3504 , G01N21/31 , G01N21/359 , G01N21/3554 , G01N21/35 , G16C99/00
Abstract: A method includes decomposing a training set to obtain a principal component matrix having a plurality of principal component vectors. The method also includes variably rejecting portions of a sample spectrum vector that do not correspond to a selected one of the plurality of principal component vectors by incrementally providing a coefficient indicative of the weighting of the selected principal component vector for selected sub-regions. A corrected spectrum vector can be obtained by excluding certain sub-regions of the sample spectrum vector and corresponding principal component vector, multiplying the sample spectrum vector with the principal component matrix for non-excluded sub-regions, providing a predicted interference vector, and subtracting the predicted interference vector from the sample spectrum vector.
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Patent Agency Ranking
公开(公告)号：US10101269B2
公开(公告)日：2018-10-16
申请号：US14446473
申请日：2014-07-30
Applicant: Smiths Detection Inc.
Inventor： Kevin Judge , Greger Andersson , Peng Zou
Abstract: A method includes decomposing a training set to obtain a principal component matrix having a plurality of principal component vectors. The method also includes variably rejecting portions of a sample spectrum vector that do not correspond to a selected one of the plurality of principal component vectors by incrementally providing a coefficient indicative of the weighting of the selected principal component vector for selected sub-regions. A corrected spectrum vector can be obtained by excluding certain sub-regions of the sample spectrum vector and corresponding principal component vector, multiplying the sample spectrum vector with the principal component matrix for non-excluded sub-regions, providing a predicted interference vector, and subtracting the predicted interference vector from the sample spectrum vector.
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公开(公告)号：US20160047782A1
公开(公告)日：2016-02-18
申请号：US14776921
申请日：2014-03-14
Applicant: SMITHS DETECTION INC.
Inventor： Charles S. Sadowski , Greger Andersson , Kevin Judge
CPC classification number: G01N30/8675 , G01N30/7206 , G01N30/8686 , G06F19/703
Abstract: A system includes a gas chromatograph configured to determine experimental chromatographic data including retention times associated with samples. The system also includes a mass spectrometer configured to determine experimental mass spectral data associated with samples. The mass spectrometer can include a quadrupole field ion trap that uses a non-classical detection technique. The system determines a retention index for an unknown sample based upon retention times for a calibration sample and the unknown sample, and identifies reference mass spectral data using the retention index. The reference mass spectral data can include spectra measured using a classical detection technique. The system can compare the experimental mass spectral data to the reference mass spectral data using one or more comparison metrics, such as a percent fragment match and/or a variance match. A score can be determined to identify the unknown sample using one or more of the metrics.
Abstract translation: 系统包括气相色谱仪，其配置用于确定实验色谱数据，包括与样品相关的保留时间。 该系统还包括配置用于确定与样品相关联的实验质谱数据的质谱仪。 质谱仪可以包括使用非经典检测技术的四极场离子阱。 该系统基于校准样品和未知样品的保留时间确定未知样品的保留指数，并使用保留指数识别参考质谱数据。 参考质谱数据可以包括使用经典检测技术测量的光谱。 该系统可以使用一个或多个比较度量（例如百分比匹配和/或方差匹配）将实验质谱数据与参考质谱数据进行比较。 可以确定得分以使用一个或多个度量来识别未知样本。
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公开(公告)号：US20140260536A1
公开(公告)日：2014-09-18
申请号：US14212480
申请日：2014-03-14
Applicant: Smiths Detection Inc.
Inventor： Charles S. Sadowski , Greger Andersson , Kevin Judge
CPC classification number: G01N30/8675 , G01N30/7206 , G01N30/8686 , G06F19/703
Abstract: A system includes a gas chromatograph configured to determine experimental chromatographic data including retention times associated with samples. The system also includes a mass spectrometer configured to determine experimental mass spectral data associated with samples. The mass spectrometer can include a quadrupole field ion trap that uses a non-classical detection technique. The system. determines a retention index for an unknown sample based upon retention times for a calibration sample and the unknown sample, and identifies reference mass spectral data using the retention index. The reference mass spectral data can include spectra measured using a classical detection technique. The system can compare the experimental mass spectral data to the reference mass spectral data using one or more comparison metrics, such as a percent fragment match and/or a variance match. A score can be determined to identify the unknown sample using one or more of the metrics.
Abstract translation: 系统包括气相色谱仪，其配置用于确定实验色谱数据，包括与样品相关的保留时间。 该系统还包括配置用于确定与样品相关联的实验质谱数据的质谱仪。 质谱仪可以包括使用非经典检测技术的四极场离子阱。 系统。 基于校准样品和未知样品的保留时间确定未知样品的保留指数，并使用保留指数识别参考质谱数据。 参考质谱数据可以包括使用经典检测技术测量的光谱。 该系统可以使用一个或多个比较度量（例如百分比匹配和/或方差匹配）将实验质谱数据与参考质谱数据进行比较。 可以确定得分以使用一个或多个度量来识别未知样本。
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公开(公告)号：US10041915B2
公开(公告)日：2018-08-07
申请号：US14776921
申请日：2014-03-14
Applicant: Smiths Detection Inc.
Inventor： CHarles S. Sadowski , Greger Andersson , Kevin Judge
Abstract: A system includes a gas chromatograph configured to determine experimental chromatographic data including retention times associated with samples. The system also includes a mass spectrometer configured to determine experimental mass spectral data associated with samples. The mass spectrometer can include a quadrupole field ion trap that uses a non-classical detection technique. The system determines a retention index for an unknown sample based upon retention times for a calibration sample and the unknown sample, and identifies reference mass spectral data using the retention index. The reference mass spectral data can include spectra measured using a classical detection technique. The system can compare the experimental mass spectral data to the reference mass spectral data using one or more comparison metrics, such as a percent fragment match and/or a variance match. A score can be determined to identify the unknown sample using one or more of the metrics.
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公开(公告)号：US09989505B2
公开(公告)日：2018-06-05
申请号：US14212480
申请日：2014-03-14
Applicant: Smiths Detection Inc.
Inventor： Charles S. Sadowski , Greger Andersson , Kevin Judge
CPC classification number: G01N30/8675 , G01N30/7206 , G01N30/8686 , G06F19/703
Abstract: A system includes a gas chromatograph configured to determine experimental chromatographic data including retention times associated with samples. The system also includes a mass spectrometer configured to determine experimental mass spectral data associated with samples. The mass spectrometer can include a quadrupole field ion trap that uses a non-classical detection technique. The system determines a retention index for an unknown sample based upon retention times for a calibration sample and the unknown sample, and identifies reference mass spectral data using the retention index. The reference mass spectral data can include spectra measured using a classical detection technique. The system can compare the experimental mass spectral data to the reference mass spectral data using one or more comparison metrics, such as a percent fragment match and/or a variance match. A score can be determined to identify the unknown sample using one or more of the metrics.
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