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    Qualitative and quantitative mass spectral analysis
    5.
    发明授权
    Qualitative and quantitative mass spectral analysis 有权

    公开(公告)号：US10755905B2

    公开(公告)日：2020-08-25

    申请号：US11718235

    申请日：2005-10-28

    申请人： Yongdong Wang ,  Ming Gu

    发明人： Yongdong Wang ,  Ming Gu

    IPC分类号： G01N30/72 ,  H01J49/00 ,  G06K9/00 ,  G01N33/68 ,  B01D59/44

    摘要： A method for analyzing data from a mass spectrometer comprising acquiring raw profile mode data containing one or more ions and their isotopes in a mass spectral range; calculating theoretical isotope distributions for all ions of interest including native or labeled ions based on their molecular composition; convoluting the theoretical isotope distributions with target peak shape function specified during instrument calibration, actual peak shape functions, or approximated peak shape functions, to obtain theoretical isotope profiles for all ions; constructing a peak component matrix of relevant theoretical isotope profiles included as peak components; performing a weighted multiple linear regression between the profile mode data and the peak component matrix; and reporting regression coefficients as relative concentrations for each of the ions, or ranking these ions based on fitting statistics as search results. A mass spectrometer system (FIG. 1) operating in accordance with the method. Medium having computer code for operating the spectrometer.

    INTERACTIVE METHOD FOR IDENTIFYING IONS FROM MASS SPECTRAL DATA
    6.
    发明申请
    INTERACTIVE METHOD FOR IDENTIFYING IONS FROM MASS SPECTRAL DATA 有权
    用于从大量光谱数据中识别离子的交互方法

    公开(公告)号：US20090302213A1

    公开(公告)日：2009-12-10

    申请号：US12475548

    申请日：2009-05-31

    申请人： Donald Kuehl ,  Yongdong Wang ,  Ming Gu

    发明人： Donald Kuehl ,  Yongdong Wang ,  Ming Gu

    IPC分类号： B01D59/44 ,  H01J49/00

    CPC分类号： H01J49/0036 ,  H01J49/0009

    摘要： 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.

    摘要翻译： 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。

    Method for calibrating mass spectrometry (MS) and other instrument systems and for processing MS and other data
    7.
    发明授权
    Method for calibrating mass spectrometry (MS) and other instrument systems and for processing MS and other data 失效
    校准质谱（MS）和其他仪器系统以及处理MS和其他数据的方法

    公开(公告)号：US07493225B2

    公开(公告)日：2009-02-17

    申请号：US10576564

    申请日：2004-10-20

    申请人： Yongdong Wang ,  Ming Gu

    发明人： Yongdong Wang ,  Ming Gu

    IPC分类号： G01R35/00

    CPC分类号： G06K9/00496 ,  H01J49/0009 ,  H01J49/0027

    摘要： A method for obtaining at least one calibration filter for a Mass Spectrometry (MS) instrument system. Measured isotope peak cluster data in a mass spectral range is obtained for a given calibration standard. Relative isotope abundances and actual mass locations of isotopes corresponding thereto are calculated for the given calibration standard. Mass spectral target peak shape functions centered within respective mass spectral ranges are specified. Convolution operations are performed between the calculated relative isotope abundances and the mass spectral target peak shape functions to form calculated isotope peak cluster data. A deconvolution operation is performed between the measured isotope peak cluster data and the calculated isotope peak cluster data after the convolution operations to obtain the at least one calibration filter. Provisions are made for normalizing peak widths, combining internal and external calibration, and using selected measured peaks as standards. Aspects of the methods are applied to other analytical instruments.

    摘要翻译： 一种用于获得用于质谱（MS）仪器系统的至少一个校准滤波器的方法。 对于给定的校准标准，获得质谱范围内的测量同位素峰聚类数据。 对于给定的校准标准，计算与之对应的同位素的相对同位素丰度和实际质量位置。 规定了在各个质谱范围内的质谱目标峰形函数。 在所计算的相对同位素丰度和质谱目标峰形状函数之间进行卷积运算，以形成计算的同位素峰集群数据。 在卷积运算之后，在所测量的同位素峰集群数据与计算出的同位素峰集群数据之间进行解卷积运算，以获得至少一个校准滤波器。 规定峰值宽度归一化，组合内部和外部校准，并使用选定的测量峰值作为标准。 方法的各个方面适用于其他分析仪器。

    Method and apparatus for single end loop testing for DSL provisioning and maintenance
    8.
    发明授权
    Method and apparatus for single end loop testing for DSL provisioning and maintenance 失效
    用于DSL配置和维护的单端环路测试的方法和设备

    公开(公告)号：US07460649B2

    公开(公告)日：2008-12-02

    申请号：US11035422

    申请日：2005-01-14

    申请人： Feng Ouyang ,  Patrick Duvaut ,  Ming Gu

    发明人： Feng Ouyang ,  Patrick Duvaut ,  Ming Gu

    IPC分类号： H04M1/24 ,  H04M3/08 ,  H04M3/22

    CPC分类号： H04M3/305 ,  H04B3/46 ,  H04M1/24 ,  H04M3/2209

    摘要： A method and apparatus for single end loop testing for DSL provisioning and maintenance provides testing of the DSL loop using digital techniques including frequency compensation, matched filtering and median filtering, to remove strong background and enhance desired signal for peak detection. The SELT system allows DSL providers to extract loop information from reflective measurements at the central office (CO) so as to determine loop capability of supporting different DSL services. The method and apparatus acquires the desired signal (the far-end echo) which is submerged in the correlated background noise (the near-end echo) by providing a process for detecting loop length and termination types with high accuracy for loops up to 12 kft for 24 AWG and up to 9 kft for 26 AWG by exploiting several digital signal processing techniques including frequency.

    摘要翻译： 用于DSL供应和维护的单端环路测试的方法和装置使用包括频率补偿，匹配滤波和中值滤波的数字技术来测试DSL环路，以去除强背景并增强用于峰值检测的期望信号。 SELT系统允许DSL提供商从中心局（CO）的反射测量中提取循环信息，以确定支持不同DSL服务的循环能力。 该方法和装置通过提供用于检测环路长度和端接类型的过程，以高达12kft的环路获得淹没在相关背景噪声（近端回波）中的期望信号（远端回波） 通过利用几种数字信号处理技术（包括频率），可实现24 AWG和高达9 kft的26 AWG。

    Methods for calibrating mass spectrometry (MS) and other instrument systems and for processing MS and other data
    9.
    发明授权
    Methods for calibrating mass spectrometry (MS) and other instrument systems and for processing MS and other data 失效
    用于校准质谱（MS）和其他仪器系统以及处理MS和其他数据的方法

    公开(公告)号：US08010306B2

    公开(公告)日：2011-08-30

    申请号：US12371759

    申请日：2009-02-16

    申请人： Yongdong Wang ,  Ming Gu

    发明人： Yongdong Wang ,  Ming Gu

    IPC分类号： G01R35/00

    CPC分类号： G06K9/00496 ,  H01J49/0009 ,  H01J49/0027

    摘要： A method for obtaining at least one calibration filter for a Mass Spectrometry (MS) instrument system. Measured isotope peak cluster data in a mass spectral range is obtained for a given calibration standard. Relative isotope abundances and actual mass locations of isotopes corresponding thereto are calculated for the given calibration standard. Mass spectral target peak shape functions centered within respective mass spectral ranges are specified. Convolution operations are performed between the calculated relative isotope abundances and the mass spectral target peak shape functions to form calculated isotope peak cluster data. A deconvolution operation is performed between the measured isotope peak cluster data and the calculated isotope peak cluster data after the convolution operations to obtain the at least one calibration filter. Provisions are made for normalizing peak widths, combining internal and external calibration, and using selected measured peaks as standards. Aspects of the methods are applied to other analytical instruments.

    摘要翻译： 一种用于获得用于质谱（MS）仪器系统的至少一个校准滤波器的方法。 对于给定的校准标准，获得质谱范围内的测量同位素峰聚类数据。 对于给定的校准标准，计算与之对应的同位素的相对同位素丰度和实际质量位置。 规定了在各个质谱范围内的质谱目标峰形函数。 在所计算的相对同位素丰度和质谱目标峰形状函数之间进行卷积运算，以形成计算的同位素峰集群数据。 在卷积运算之后，在所测量的同位素峰集群数据与计算出的同位素峰集群数据之间进行解卷积运算，以获得至少一个校准滤波器。 规定峰值宽度归一化，组合内部和外部校准，并使用选定的测量峰值作为标准。 方法的各个方面适用于其他分析仪器。

    IDENTIFYING IONS FROM MASS SPECTRAL DATA
    10.
    发明申请
    IDENTIFYING IONS FROM MASS SPECTRAL DATA 审中-公开
    从大量光谱数据中识别离子

    公开(公告)号：US20080302957A1

    公开(公告)日：2008-12-11

    申请号：US12131888

    申请日：2008-06-02

    申请人： Yongdong Wang ,  Ming Gu

    发明人： Yongdong Wang ,  Ming Gu

    IPC分类号： B01D59/44

    CPC分类号： H01J49/0009 ,  B01D59/44 ,  H01J49/0036

    摘要： A method for identify isotope patterns in mass spectral data, comprising obtaining a desired mass spectral peak shape function; obtaining mass spectral data composed of actual isotope patterns to be analyzed; calculating theoretical isotope pattern from known elemental composition of at least one basic ion whose isotope pattern is representative of the ions to be analyzed, by using mass spectral peak shape function; comparing quantitatively corresponding parts of the theoretical isotope pattern to that of the mass spectral data; calculating a numerical metric to measure similarity between the theoretical isotope pattern and actually measured isotope pattern; and utilizing the numerical metric as an indication for possible presence of ions whose isotope patterns resemble that of the basic 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.

    摘要翻译： 一种用于识别质谱数据中的同位素模式的方法，包括获得期望的质谱峰形状函数; 获取由待分析的实际同位素模式组成的质谱数据; 通过使用质谱峰形函数，计算同位素模式代表待分析离子的至少一种碱性离子的已知元素组成的理论同位素模式; 将理论同位素模式的相应部分定量对比于质谱数据; 计算数值度量以测量理论同位素模式与实际测量的同位素模式之间的相似度; 并利用数字度量作为其同位素图案类似于碱性离子的离子的可能存在的指示。 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。