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公开(公告)号：US08927925B2
公开(公告)日：2015-01-06
申请号：US12475548
申请日：2009-05-31
Applicant: Donald Kuehl , Yongdong Wang , Ming Gu
Inventor： Donald Kuehl , Yongdong Wang , Ming Gu
IPC: H01J49/00
CPC classification number: H01J49/0036 , H01J49/0009
Abstract: A method for identifying ions that generated mass spectral data, comprises acquiring raw mass spectral data in profile mode containing at least one ion of interest; performing at least one of mass spectral calibration involving peak shape and a determination of actual peak shape function associated with the acquired raw mass spectral data; considering at least one possible elemental composition of the ion; calculating theoretical mass spectral data for said elemental composition using the actual peak shape function; performing a normalization between corresponding parts of the theoretical mass spectral data and that of the raw or calibrated mass spectral data; and displaying mass spectral congruence between at least two mass spectra where one spectrum is the normalized version of the other corresponding to said possible elemental composition. The unique display and method assist in readily identifying ions. A data storage medium having computer code thereon for causing a computer to performing the method; also in combination with a mass spectrometer.
Abstract translation: 一种用于识别产生质谱数据的离子的方法，包括获取包含至少一个感兴趣的离子的谱图模式中的原始质谱数据; 执行涉及峰形的质谱校准和与获取的原始质谱数据相关联的实际峰形状函数的确定中的至少一个; 考虑离子的至少一种可能的元素组成; 使用实际峰形函数计算所述元素组成的理论质谱数据; 在理论质谱数据的相应部分与原始或校准的质谱数据的相应部分之间执行归一化; 并且在至少两个质谱之间显示质谱一致性，其中一个光谱是对应于所述可能的元素组成的另一光谱的归一化版本。 独特的显示和方法有助于容易地识别离子。 一种数据存储介质，其上具有用于使计算机执行该方法的计算机代码; 也与质谱仪结合使用。
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公开(公告)号：US20100171032A1
公开(公告)日：2010-07-08
申请号：US12602768
申请日：2008-06-02
Applicant: Yongdong Wang , Donald Kuehl
Inventor： Yongdong Wang , Donald Kuehl
CPC classification number: H01J49/0009 , B01D59/44 , H01J49/0036
Abstract: Methods for analyzing mass spectral data, include acquiring profile mode mass spectral data containing at least on ion of interest whose elemental composition is determined; obtaining a correct peak shape function based on the actually measured peak shape of at least one of the isotypes of the same ion of interest; generating at least one possible elemental composition for the ion of interest; calculating a theoretical isotope cluster by applying correct peak shape function to the theoretical isotope distribution; comparing quantiatively the corresponding parts of the theoretical isotope cluster to that from acquired profile mode mass spectral data to obtain at least one of elemental composition determination, classification, or quantitation for the ion. A computer for and a computer readable medium having computer readable code thereon for performing the methods. A mass spectrometer having an associated computer for performing the methods.
Abstract translation: 用于分析质谱数据的方法包括获取包含至少基于其元素组成确定的感兴趣的离子的谱模式质谱数据; 基于相同目的离子的至少一种同种型的实际测量的峰形来获得正确的峰形函数; 为感兴趣的离子产生至少一种可能的元素组合物; 通过对理论同位素分布应用正确的峰形函数来计算理论同位素簇; 将理论同位素簇的相应部分定量地与获取的轮廓模式质谱数据进行比较，以获得离子的元素组成确定，分类或定量中的至少一种。 一种计算机及其计算机可读介质，其上具有用于执行所述方法的计算机可读代码。 一种具有用于执行该方法的相关计算机的质谱仪。
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公开(公告)号：US20090302213A1
公开(公告)日：2009-12-10
申请号：US12475548
申请日：2009-05-31
Applicant: Donald Kuehl , Yongdong Wang , Ming Gu
Inventor： Donald Kuehl , Yongdong Wang , Ming Gu
CPC classification number: H01J49/0036 , H01J49/0009
Abstract: A method for identifying ions that generated mass spectral data, comprises acquiring raw mass spectral data in profile mode containing at least one ion of interest; performing at least one of mass spectral calibration involving peak shape and a determination of actual peak shape function associated with the acquired raw mass spectral data; considering at least one possible elemental composition of the ion; calculating theoretical mass spectral data for said elemental composition using the actual peak shape function; performing a normalization between corresponding parts of the theoretical mass spectral data and that of the raw or calibrated mass spectral data; and displaying mass spectral congruence between at least two mass spectra where one spectrum is the normalized version of the other corresponding to said possible elemental composition. The unique display and method assist in readily identifying ions. A data storage medium having computer code thereon for causing a computer to performing the method; also in combination with a mass spectrometer.
Abstract translation: 一种用于识别产生质谱数据的离子的方法，包括获取包含至少一个感兴趣的离子的谱图模式中的原始质谱数据; 执行涉及峰形的质谱校准和与获取的原始质谱数据相关联的实际峰形状函数的确定中的至少一个; 考虑离子的至少一种可能的元素组成; 使用实际峰形函数计算所述元素组成的理论质谱数据; 在理论质谱数据的相应部分与原始或校准的质谱数据的相应部分之间执行归一化; 并且在至少两个质谱之间显示质谱一致性，其中一个光谱是对应于所述可能的元素组成的另一光谱的归一化版本。 独特的显示和方法有助于容易地识别离子。 一种数据存储介质，其上具有用于使计算机执行该方法的计算机代码; 也与质谱仪结合使用。
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公开(公告)号：US08803080B2
公开(公告)日：2014-08-12
申请号：US12602768
申请日：2008-06-02
Applicant: Yongdong Wang , Donald Kuehl
Inventor： Yongdong Wang , Donald Kuehl
IPC: B01D59/44
CPC classification number: H01J49/0009 , B01D59/44 , H01J49/0036
Abstract: Methods for analyzing mass spectral data, include acquiring profile mode mass spectral data containing at least on ion of interest whose elemental composition is determined; obtaining a correct peak shape function based on the actually measured peak shape of at least one of the isotypes of the same ion of interest; generating at least one possible elemental composition for the ion of interest; calculating a theoretical isotope distribution for the elemental composition and a theoretical isotope cluster by applying correct peak shape function to the theoretical isotope distribution; comparing quantiatively the corresponding parts of the theoretical isotope cluster to that from acquired profile mode mass spectral data to obtain at least one of elemental composition determination, classification, or quantitation for the ion. A computer for and a computer readable medium having computer readable code thereon for performing the methods. A mass spectrometer having an associated computer for performing the methods.
Abstract translation: 用于分析质谱数据的方法包括获取包含至少基于其元素组成确定的感兴趣的离子的谱模式质谱数据; 基于相同目的离子的至少一种同种型的实际测量的峰形来获得正确的峰形函数; 为感兴趣的离子产生至少一种可能的元素组合物; 通过对理论同位素分布应用正确的峰形函数，计算元素组成和理论同位素簇的理论同位素分布; 将理论同位素簇的相应部分定量地与获取的轮廓模式质谱数据进行比较，以获得离子的元素组成确定，分类或定量中的至少一种。 一种计算机及其计算机可读介质，其上具有用于执行所述方法的计算机可读代码。 一种具有用于执行该方法的相关计算机的质谱仪。
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5.发明申请公开(公告)号：US20120309103A1
公开(公告)日：2012-12-06
申请号：US13584628
申请日：2012-08-13
Applicant: Michael Gambini , John C. Voyta , John Atwood , Susan A. Atwood-Stone , Bruce E. DeSimas, II , Edward Lakatos , Jeff Levi , Israel Metal , George Sabak , Yongdong Wang
Inventor： Michael Gambini , John C. Voyta , John Atwood , Susan A. Atwood-Stone , Bruce E. DeSimas, II , Edward Lakatos , Jeff Levi , Israel Metal , George Sabak , Yongdong Wang
IPC: G01N21/76
CPC classification number: G01N21/763 , G01N21/15 , G01N21/274 , G01N21/276 , G01N21/31 , G01N21/6452 , G01N21/6456 , G01N21/6486 , G01N21/76 , G01N33/581 , G01N2021/6471 , G01N2333/90241 , Y10T436/115831
Abstract: A luminescence detecting apparatus and method for analyzing luminescent samples is disclosed. Luminescent samples are placed in a plurality of sample wells in a tray, and the tray is placed in a visible-light impervious chamber containing a charge coupled device camera. The samples may be injected in the wells, and the samples may be injected with buffers and reagents, by an injector. In the chamber, light from the luminescent samples pass through a collimator, a Fresnel field lens, a filter, and a camera lens, whereupon a focused image is created by the optics on the charge-coupled device (CCD) camera. The use of a Fresnel field lens, in combination with a collimator and filter, reduces crosstalk between samples below the level attainable by the prior art. Preferred embodiments of the luminescence detecting apparatus and method disclosed include central processing control of all operations, multiple wavelength filter wheel, and robot handling of samples and reagents. Preferred embodiments of processing software integrated with the invention include elements for mechanical alignment, outlier shaving, edge detection and masking, manipulation of multiple integration times to expand the dynamic range, crosstalk correction, dark subtraction interpolation and drift correction, multi-component analysis applications specifically tailored for luminescence, and uniformity correction.
Abstract translation: 公开了一种用于分析发光样品的发光检测装置和方法。 将发光样品放置在托盘中的多个样品孔中，并且将托盘放置在包含电荷耦合器件照相机的可见光不透水室中。 样品可以注入孔中，样品可以通过注射器注入缓冲液和试剂。 在室中，来自发光样品的光通过准直仪，菲涅尔场透镜，滤光器和照相机镜头，由此电荷耦合器件（CCD）照相机上的光学器件产生聚焦图像。 使用菲涅耳场透镜与准直器和滤光器结合使得样品之间的串扰降低到现有技术可获得的水平以下。 发光检测装置和方法的优选实施例包括所有操作，多波长滤光轮和样品和试剂的机器人处理的中央处理控制。 与本发明集成的处理软件的优选实施例包括用于机械对准，异常刮削，边缘检测和掩蔽的元件，多次积分时间的操纵以扩大动态范围，串扰校正，暗减法内插和漂移校正，特别是多组分分析应用 适合发光和均匀性校正。
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Patent Agency Ranking
公开(公告)号：US07781729B2
公开(公告)日：2010-08-24
申请号：US11754305
申请日：2007-05-27
Applicant: Yongdong Wang , Ming Gu
Inventor： Yongdong Wang , Ming Gu
CPC classification number: H01J49/0036 , G06F19/703
Abstract: A method for analyzing data from a mass spectrometer comprising obtaining calibrated continuum spectral data by processing raw spectral data; obtaining library spectral data which has been processed to form calibrated library data; and performing a least squares fit, preferably using matrix operations (equation 1), between the calibrated continuum spectral data and the calibrated library data to determine concentrations of components in a sample which generated the raw spectral data. A mass spectrometer system (FIG. 1) that operates in accordance with the method, a data library of transformed mass spectra, and a method for producing the data library.
Abstract translation: 一种用于分析来自质谱仪的数据的方法，包括通过处理原始光谱数据获得校准的连续谱光谱数据; 获得已经处理以形成校准库数据的库光谱数据; 并且在校准的连续谱数据和校准的库数据之间优选使用矩阵运算（等式1）进行最小二乘拟合，以确定产生原始光谱数据的样本中的分量的浓度。 根据该方法操作的质谱仪系统（图1），变换质谱的数据库以及用于产生数据库的方法。
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公开(公告)号：US07405821B2
公开(公告)日：2008-07-29
申请号：US11552361
申请日：2006-10-24
Applicant: Yongdong Wang , Bernhard H. Radziuk , David H. Tracy
Inventor： Yongdong Wang , Bernhard H. Radziuk , David H. Tracy
IPC: G01J3/00
Abstract: In a spectroscopic process a sample for producing a test spectral line or spectrum of at least one component contained in the sample is stimulated and the transmitted and/or emitted electromagnetic rays are used to create the test spectral line or spectrum. In order to improve such a spectroscopic process to such an extent that variations of certain parameters, which alter the shape and/or occurrence of a spectral line, are compensated, a comparison spectral line or spectrum of a known comparison material is produced under substantially the same parameters as the sample. The comparison spectral line or spectrum is compared with an ideal comparison spectral line or spectrum in order to calculate a transfer function, and the transfer function is applied to the test spectral line or spectrum in order to calculate a corrected test spectral line or spectrum.
Abstract translation: 在分光过程中，刺激用于产生测试谱线或样品中包含的至少一种组分的光谱的样品，并且使用透射和/或发射的电磁波来产生测试光谱线或光谱。 为了改进这种光谱过程，使得补偿了改变光谱线的形状和/或出现的某些参数的变化，已知比较材料的比较光谱线或光谱基本上在 与样品相同的参数。 将比较谱线或频谱与理想的比较谱线或频谱进行比较，以计算传递函数，并将传递函数应用于测试谱线或频谱，以便计算校正的测试谱线或频谱。
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公开(公告)号：US20080001079A1
公开(公告)日：2008-01-03
申请号：US11754305
申请日：2007-05-27
Applicant: Yongdong Wang , Ming Gu
Inventor： Yongdong Wang , Ming Gu
CPC classification number: H01J49/0036 , G06F19/703
Abstract: A method for analyzing data from a mass spectrometer comprising obtaining calibrated continuum spectral data by processing raw spectral data; obtaining library spectral data which has been processed to form calibrated library data; and performing a least squares fit, preferably using matrix operations (equation 1), between the calibrated continuum spectral data and the calibrated library data to determine concentrations of components in a sample which generated the raw spectral data. A mass spectrometer system (FIG. 1) that operates in accordance with the method, a data library of transformed mass spectra, and a method for producing the data library.
Abstract translation: 一种用于分析来自质谱仪的数据的方法，包括通过处理原始光谱数据获得校准的连续谱光谱数据; 获得已经处理以形成校准库数据的库光谱数据; 并且在校准的连续谱数据和校准的库数据之间优选使用矩阵运算（等式1）进行最小二乘拟合，以确定产生原始光谱数据的样本中的分量的浓度。 根据该方法操作的质谱仪系统（
图1 ），变换质谱的数据库以及用于产生数据库的方法。 -
公开(公告)号：US20070046933A1
公开(公告)日：2007-03-01
申请号：US11552361
申请日：2006-10-24
Applicant: Yongdong Wang , Bernhard Radziuk , David Tracy
Inventor： Yongdong Wang , Bernhard Radziuk , David Tracy
IPC: G01J3/00
Abstract: In a spectroscopic process a sample for producing a test spectral line or spectrum of at least one component contained in the sample is stimulated and the transmitted and/or emitted electromagnetic rays are used to create the test spectral line or spectrum. In order to improve such a spectroscopic process to such an extent that variations of certain parameters, which alter the shape and/or occurrence of a spectral line, are compensated, a comparison spectral line or spectrum of a known comparison material is produced under substantially the same parameters as the sample. The comparison spectral line or spectrum is compared with an ideal comparison spectral line or spectrum in order to calculate a transfer function, and the transfer function is applied to the test spectral line or spectrum in order to calculate a corrected test spectral line or spectrum.
Abstract translation: 在分光过程中，刺激用于产生测试谱线或样品中包含的至少一种组分的光谱的样品，并且使用透射和/或发射的电磁波来产生测试光谱线或光谱。 为了改进这种光谱过程，使得补偿了改变光谱线的形状和/或出现的某些参数的变化，已知比较材料的比较光谱线或光谱基本上在 与样品相同的参数。 将比较谱线或频谱与理想的比较谱线或频谱进行比较，以计算传递函数，并将传递函数应用于测试谱线或频谱，以便计算校正的测试谱线或频谱。
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公开(公告)号：US07145650B2
公开(公告)日：2006-12-05
申请号：US10370910
申请日：2003-02-20
Applicant: Yongdong Wang , Bernhard H. Radziuk , David H. Tracy
Inventor： Yongdong Wang , Bernhard H. Radziuk , David H. Tracy
Abstract: In a spectroscopic process a sample for producing a test spectral line or spectrum of at least one component contained in the sample is stimulated and the transmitted and/or emitted electromagnetic rays are used to create the test spectral line or spectrum. In order to improve such a spectroscopic process to such an extent that variations of certain parameters, which alter the shape and/or occurrence of a spectral line, are compensated, a comparison spectral line or spectrum of a known comparison material is produced under substantially the same parameters as the sample. The comparison spectral line or spectrum is compared with an ideal comparison spectral line or spectrum in order to calculate a transfer function, and the transfer function is applied to the test spectral line or spectrum in order to calculate a corrected test spectral line or spectrum.
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