公开(公告)号：US08010306B2

公开(公告)日：2011-08-30

申请号：US12371759

申请日：2009-02-16

Applicant: Yongdong Wang ,  Ming Gu

Inventor： Yongdong Wang ,  Ming Gu

IPC: G01R35/00

CPC classification number: G06K9/00496 ,  H01J49/0009 ,  H01J49/0027

Abstract: 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.

Abstract translation: 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。

公开(公告)号：US20100248387A1

公开(公告)日：2010-09-30

申请号：US12716219

申请日：2010-03-02

Applicant: Michael R. 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 R. 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。

公开(公告)号：US20090210167A1

公开(公告)日：2009-08-20

申请号：US12435325

申请日：2009-05-04

Applicant: Yongdong WANG

Inventor： Yongdong WANG

IPC: G06F19/00 ,  G01N31/00

CPC classification number: G16C20/20 ,  G16B20/00

Abstract: A method for analyzing data obtained from at least one sample in a separation system (10, 50, 60) that has a capability for separating components of a sample containing more than one component as a function of at least two different variables comprising obtaining data representative of the at least one sample from the system, the data being expressed as a function of the two variables; forming a data stack (70, 74, 78, 82, 84) having successive levels, each level containing successive data representative of the at least one sample; forming a data array (R) representative of a compilation of all of the data in the data stack; and separating the data array into a series of matrixes. A chemical analysis system that operates in accordance with the method, and a medium having computer readable program code for causing the system to perform the method.

Abstract translation: 一种用于分析从分离系统（10,50,60）中的至少一个样本获得的数据的方法，所述分离系统具有分离包含多于一个组分的样品的组分作为至少两个不同变量的函数的能力，包括获得数据代表 来自系统的至少一个样本，数据被表示为两个变量的函数; 形成具有连续级别的数据堆栈（70,74,88,82,84），每个级别包含表示所述至少一个样本的连续数据; 形成代表数据堆中所有数据的汇编的数据阵列（R）; 并将数据阵列分成一系列矩阵。 根据该方法操作的化学分析系统和具有用于使系统执行该方法的计算机可读程序代码的介质。

公开(公告)号：US07577538B2

公开(公告)日：2009-08-18

申请号：US10554768

申请日：2004-04-28

Applicant: Yongdong Wang

Inventor： Yongdong Wang

IPC: G06F19/00

CPC classification number: G06K9/0057 ,  H01J49/0036

Abstract: A method for analyzing data from a mass spectrometer including obtaining calibrated mass spectral data involving at least one ion with its isotopes, by processing raw spectral data; obtaining library spectral data which has been processed to form calibrated library data; and performing a regression analysis, preferably using matrix operations, between the calibrated mass spectral data and the calibrated library data; and reporting at least one regression coefficient representative of a relative concentrations of a component in a sample which generated the raw spectral data. The invention is also directed to a mass spectrometer system 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涉及至少一种具有其同位素的离子的校准质谱数据; 获得已经处理以形成校准库数据的库光谱数据; 并且在校准的质谱数据和校准的库数据之间执行优选使用矩阵运算的回归分析; 并且报告至少一个回归系数，其代表生成原始光谱数据的样品中组分的相对浓度。 本发明还涉及根据该方法操作的质谱仪系统，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：US07529629B2

公开(公告)日：2009-05-05

申请号：US10554863

申请日：2004-04-28

Applicant: Yongdong Wang

Inventor： Yongdong Wang

IPC: G01N31/00 ,  G06F19/00

CPC classification number: G06F19/703 ,  G06F19/18

Abstract: A method for analyzing data obtained from at least one sample in a separation system (10, 50, 60) that has a capability for separating components of a sample containing more than one component as a function of at least two different variables including obtaining data representative of the at least one sample from the system, the data being expressed as a function of the two variables; forming a data stack (70, 74, 78, 82, 84) having successive levels, each level containing successive data representative of the at least one sample; forming a data array (R) representative of a compilation of all of the data in the data stack; and separating the data array into a series of matrixes. A chemical analysis system that operates in accordance with the method, and a medium having computer readable program code for causing the system to perform the method.

Abstract translation: 一种用于分析从分离系统（10,50,60）中的至少一个样本获取的数据的方法，所述分离系统具有分离包含多于一个分量的样本的分量的能力，作为至少两个不同变量的函数，包括获得数据代表 来自系统的至少一个样本，数据被表示为两个变量的函数; 形成具有连续级别的数据堆栈（70,74,88,82,84），每个级别包含表示所述至少一个样本的连续数据; 形成代表数据堆中所有数据的汇编的数据阵列（R）; 并将数据阵列分成一系列矩阵。 根据该方法操作的化学分析系统和具有用于使系统执行该方法的计算机可读程序代码的介质。

公开(公告)号：US20060288339A1

公开(公告)日：2006-12-21

申请号：US10554863

申请日：2004-04-28

Applicant: Yongdong Wang

Inventor： Yongdong Wang

IPC: G06F9/45

CPC classification number: G06F19/703 ,  G06F19/18

Abstract: A method for analyzing data obtained from at least one sample in a separation system (10, 50, 60) that has a capability for separating components of a sample containing more than one component as a function of at least two different variables comprising obtaining data representative of the at least one sample from the system, the data being expressed as a function of the two variables; forming a data stack (70, 74, 78, 82, 84) having successive levels, each level containing successive data representative of the at least one sample; forming a data array (R) representative of a compilation of all of the data in the data stack; and separating the data array into a series of matrixes. A chemical analysis system that operates in accordance with the method, and a medium having computer readable program code for causing the system to perform the method.

Abstract translation: 一种用于分析从分离系统（10,50,60）中的至少一个样本获得的数据的方法，所述分离系统具有分离包含多于一个组分的样品的组分作为至少两个不同变量的函数的能力，包括获得数据代表 来自系统的至少一个样本，数据被表示为两个变量的函数; 形成具有连续级别的数据堆栈（70,74,88,82,84），每个级别包含表示所述至少一个样本的连续数据; 形成代表数据堆中所有数据的汇编的数据阵列（R）; 并将数据阵列分成一系列矩阵。 根据该方法操作的化学分析系统和具有用于使系统执行该方法的计算机可读程序代码的介质。

公开(公告)号：US20060217911A1

公开(公告)日：2006-09-28

申请号：US10554768

申请日：2004-04-28

Applicant: Yongdong Wang

Inventor： Yongdong Wang

IPC: G06F19/00

CPC classification number: G06K9/0057 ,  H01J49/0036

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：US6049762A

公开(公告)日：2000-04-11

申请号：US993482

申请日：1997-12-18

Applicant: Alan M. Ganz ,  Yongdong Wang ,  David H. Tracy ,  Robert A. Hoult ,  Jerry E. Cahill ,  David A. Huppler

Inventor： Alan M. Ganz ,  Yongdong Wang ,  David H. Tracy ,  Robert A. Hoult ,  Jerry E. Cahill ,  David A. Huppler

IPC: G01J3/28 ,  G01J3/453 ,  G01R35/00

CPC classification number: G01J3/453 ,  G01J2003/2866

Abstract: Standardization is achieved for FTIR spectrometric instruments that effect an intrinsic distortion in spectral information, the distortion being associated with an aperture size. An idealized function of spectral line shape is specified. With a small calibration aperture, spectral data is obtained for a basic sample having known "true" spectral data, and standard spectral data also is obtained for a standard sample. With a larger, normal sized aperture, standard spectral data is obtained again for the calibration sample. A transformation factor, that is a function of this data and the standardized function, is applied to spectral data for test samples to effect standardized information. In another embodiment, the standard sample has known true spectral data, and the basic sample is omitted. In either case, the transformation factor is applied to the sample data in logarithm form, the antilogarithm of the result effects the standardized information.

Abstract translation: 对于影响光谱信息中的固有失真的FTIR光谱仪器实现标准化，失真与孔径尺寸相关联。 规定了光谱线形状的理想化功能。 使用小的校准孔径，获得具有已知“真实”光谱数据的基本样品的光谱数据，并且还为标准样品获得标准光谱数据。 对于较大的正常尺寸的孔径，再次为校准样品获得标准光谱数据。 作为该数据和标准化函数的函数的变换因子被应用于测试样本的光谱数据以实现标准化信息。 在另一个实施例中，标准样品具有已知的真实光谱数据，并省略了基本样品。 在任一种情况下，转换因子以对数形式应用于样本数据，结果的反对数效应影响标准化信息。

公开(公告)号：US5559728A

公开(公告)日：1996-09-24

申请号：US237368

申请日：1994-05-03

Applicant: Bruce R. Kowalski ,  Yongdong Wang

Inventor： Bruce R. Kowalski ,  Yongdong Wang

IPC: G01N21/27 ,  G01N30/02 ,  G01N30/62 ,  G01N30/86 ,  G01N21/01

CPC classification number: G01N21/274 ,  G01N30/8672 ,  G01N2030/025 ,  G01N2030/626

Abstract: A method for calibrating two-dimensional responses measured on multiple instruments or on a single instrument under different operating conditions. The method calculates two separate banded diagonal transformation matrices using the responses of a common standard sample to simultaneously correct for the response channel shift and intensity variations in both dimensions or orders. The two transformational matrices are estimated from a set of simultaneous non-linear equations via the Gauss-Newton method. The effects of noise and transformation matrix bandwidth on the standardization performance were studied through computer simulation. From computer simulation and experimental data, it was found that the design of the standard sample is crucial for the parameter estimations and response standardization.

Abstract translation: 用于校准在不同操作条件下在多个仪器或单个仪器上测量的二维响应的方法。 该方法使用公共标准样本的响应来计算两个单独的带状对角线变换矩阵，以同时校正两个维度或次序中的响应信道偏移和强度变化。 通过高斯 - 牛顿法从一组同时的非线性方程估计出两个变换矩阵。 通过计算机模拟研究噪声和变换矩阵带宽对标准化性能的影响。 从计算机仿真和实验数据可以看出，标准样本的设计对参数估计和响应标准化至关重要。