公开(公告)号：US6019896A

公开(公告)日：2000-02-01

申请号：US36767

申请日：1998-03-06

Applicant: Elaine S. Mansfield ,  Lian-She Zhao ,  Marina Vainer ,  Curtis R. Kautzer

Inventor： Elaine S. Mansfield ,  Lian-She Zhao ,  Marina Vainer ,  Curtis R. Kautzer

IPC: G01N33/50 ,  B01D15/08 ,  C12N15/09 ,  C12N15/10 ,  C12P19/34 ,  C12Q1/68 ,  G01N27/447 ,  G01N30/86 ,  G01N30/00

CPC classification number: G01N30/8665 ,  C12N15/101 ,  C12Q1/68 ,  C12Q1/6827 ,  G01N27/44717 ,  G01N30/8634 ,  G01N2201/129 ,  G01N30/8631 ,  G01N30/8658

Abstract: A method for performing separation assays of biochemical samples includes computing a quality metric based on peak data produced during the separation run. The quality metric is the basis for selecting a subsequent step in the assay, including whether to re-run the separation when the quality metric indicates a low quality separation run. In a preferred embodiment, the quality metric is computed based on a peak resolution metric indicative of the peak resolution of the sample peaks in the data and a signal-to-noise ratio of the data. When a co-migrating standard is included in the separation run, the quality metric is further based on the degree of migration linearity of the reference peaks produced by the standard. The method was reduced to practice in separations to size and sort DNA fragments in high-throughput capillary array electrophoresis separations.

Abstract translation: 用于进行生物化学样品的分离测定的方法包括基于在分离运行期间产生的峰值数据来计算质量度量。 质量度量是选择测定中的后续步骤的基础，包括当质量度量指示低质量分离运行时是否重新运行分离。 在优选实施例中，基于指示数据中的样本峰值的峰值分辨率的峰值分辨率度量和数据的信噪比来计算质量度量。 当分离运行中包含共迁移标准时，质量度量还基于由标准产生的参考峰的迁移线性度。 在高通量毛细管阵列电泳分离中，将该方法减少到分离中的大小和分类DNA片段。

公开(公告)号：US5734587A

公开(公告)日：1998-03-31

申请号：US307416

申请日：1994-09-19

Applicant: Juergen Backhaus ,  Dirk Boecker ,  Reinhard Mischler

Inventor： Juergen Backhaus ,  Dirk Boecker ,  Reinhard Mischler

IPC: G01N33/49 ,  B01L3/00 ,  G01N1/40 ,  G01N21/35 ,  G01N21/47 ,  G01N21/01

CPC classification number: B01L3/5085 ,  G01N21/3577 ,  G01N21/47 ,  G01N2001/4027 ,  G01N2201/129 ,  Y10T436/112499 ,  Y10T436/115831

Abstract: A method of analyzing clinically relevant sample liquids and suspensions is such that where infrared spectra of dried samples are generated and evaluated using a multivariate evaluation procedure. In the evaluation procedure, the samples to be analyzed are assigned to classes. The evaluation procedure is trained with samples of known classes to adjust the parameters of the evaluation procedures such that samples of unknown classification can be assigned to known classes. In an advantageous manner, the infrared spectra can be generated by a transmittance measurement on a dried film of the sample.

Abstract translation: 分析临床相关样品液体和悬浮液的方法是使用多变量评估程序来生成和评估干燥样品的红外光谱。 在评估程序中，要分析的样本被分配给类。 使用已知类别的样本对评估程序进行训练，以调整评估过程的参数，使得未知分类的样本可以分配给已知类别。 以有利的方式，通过对样品的干燥膜进行透射率测量可以产生红外光谱。

公开(公告)号：US5568400A

公开(公告)日：1996-10-22

申请号：US572534

申请日：1990-08-28

Applicant: Edward W. Stark ,  Harald Martens

Inventor： Edward W. Stark ,  Harald Martens

IPC: G01J3/18 ,  G01J3/28 ,  G06T5/00 ,  G06F17/00 ,  G06F159/00

CPC classification number: G01J3/28 ,  G01J2003/1828 ,  G01N2201/129

Abstract: An improved method and apparatus are disclosed for processing spectral data to remove undesired variations in such data and to remove interfering information present in the data. The method land apparatus corrects multiplicative effects present in the spectral data. Additive and interferent contributions can be corrected as well. In one aspect of the method, coefficients for a selected appropriate model are applied to the input spectral data based on first and second reference spectra. The spectral data are then corrected based on the estimated coefficients at least as to multiplicative errors for producing a linear additive structure for use in calibration, validation and determination by linear multivariate analysis. The method and apparatus will improve the accuracy of spectral data structures derived from measurements Using spectroscopy, chromatography, thermal analysis, mechanical vibration and acoustic analysis, rheology, electrophoresis, image analysis and other analytical technologies producing data of similar multivariate nature.

Abstract translation: 公开了一种改进的方法和装置，用于处理光谱数据以消除这种数据中的不期望的变化并且去除数据中存在的干扰信息。 方法陆地装置校正光谱数据中存在的乘法效应。 添加剂和干扰素也可以被修正。 在该方法的一个方面，基于第一和第二参考光谱，将所选适当模型的系数应用于输入光谱数据。 然后基于估计的系数校正光谱数据，至少关于用于产生用于通过线性多变量分析的校准，验证和确定的线性添加结构的乘法误差。 该方法和设备将提高从测量得到的光谱数据结构的精度使用光谱，色谱，热分析，机械振动和声学分析，流变学，电泳，图像分析和其他产生类似多变量性质的数据的分析技术。

公开(公告)号：US5440388A

公开(公告)日：1995-08-08

申请号：US101389

申请日：1993-08-02

Applicant: Jon W. Erickson

Inventor： Jon W. Erickson

IPC: A61B5/00 ,  G01J3/453 ,  G01N21/35 ,  G01N33/487 ,  G01B9/02

CPC classification number: G01J3/4535 ,  A61B5/7257 ,  A61B5/7203 ,  G01N2021/178 ,  G01N2021/3595 ,  G01N21/4795 ,  G01N2201/0625 ,  G01N2201/129

Abstract: An instrument for chemical spectroscopy with imaging capabilities. A lightsource produces an array of light beams, each of which is made up of a plurality of discrete wavelengths. The array of light beams are modulated by an interferometer, then directed through a sample to an array of detectors. The sample may be a chemical mixture (e.g. a fuel stream in a manufacturing facility) or a body part (e.g. breast, limb, or head). An array of laser or light-emitting diodes provides light at the desired wavelengths and high intensity. The set of wavelengths is selected for a particular kind of analysis, and a specific set of possible absorbing species to be detected. The different wavelengths are guided optically (using fiber optics, lenses, and/or mirrors) into a single lightbeam, or an array of lightbeams. This light is then directed through the sample and onto a detector. The lightsource and detector, or lightsource alone, may be rastered if necessary to form an image. Individual lightbeams in an array may be modulated, polarized, or both so as to improve resolution. The signal from the detector undergoes a Fast Fourier Transform to produce a near-infrared absorption spectrum as a function of wavelength. The absorption spectra can be used to produce an image of the spacial distribution of detected species within the sample. Either the lightsource or detectors can be placed on the end of a probe or catheter for imaging through the wall of a hollow sample.

Abstract translation: 具有成像能力的化学光谱仪。 光源产生一束光束，每个光束由多个离散波长组成。 光束阵列由干涉仪调制，然后通过样本引导到一组检测器。 样品可以是化学混合物（例如制造设施中的燃料流）或身体部位（例如乳房，肢体或头部）。 激光或发光二极管的阵列提供所需波长和高强度的光。 选择一组波长用于特定类型的分析，以及要检测的特定的一组可能的吸收物质。 不同的波长被光学引导（使用光纤，透镜和/或反射镜）到单个光束或光束阵列中。 然后将该光引导通过样品并进入检测器。 光源和检测器，或单独的光源，如果需要形成图像，可能会被扫描。 阵列中的单个光束可以被调制，极化或两者以便提高分辨率。 来自检测器的信号经历快速傅立叶变换以产生作为波长的函数的近红外吸收光谱。 吸收光谱可用于产生样品中检测物种的空间分布的图像。 光源或检测器可以放置在探针或导管的末端，以通过中空样品的壁进行成像。

公开(公告)号：US5360972A

公开(公告)日：1994-11-01

申请号：US107953

申请日：1993-08-17

Applicant: Rocco DiFoggio ,  Maya Sadhukhan ,  Martha L. Ranc

Inventor： Rocco DiFoggio ,  Maya Sadhukhan ,  Martha L. Ranc

IPC: G01J3/28 ,  G01N21/35 ,  G01N21/65 ,  G01N30/74 ,  G01N33/28 ,  G01J3/42

CPC classification number: G01N33/2829 ,  G01N21/3577 ,  G01N21/359 ,  G01N2201/129

Abstract: The present invention is a method for improving the estimation of physical properties of a material, based on the infrared spectrum of the material, by concatenating additional data obtained from other measurement techniques to the infrared spectrum to fill the voids in the spectral data resulting from a lack of sensitivity by infrared spectrometers to trace compounds in the material. The augmented spectral data then is used to produce a calibration model for estimating the physical properties of the material.

Abstract translation: 本发明是通过将从其他测量技术获得的附加数据连接到红外光谱来基于材料的红外光谱来改进材料的物理性质的估计的方法，以填充由 红外光谱仪缺乏对材料中化合物的敏感性。 然后，增强的光谱数据用于产生用于估计材料的物理性质的校准模型。

公开(公告)号：US5357336A

公开(公告)日：1994-10-18

申请号：US742620

申请日：1991-08-08

Applicant: Harry D. Ruhl, Jr. ,  Kenneth R. Beebe

Inventor： Harry D. Ruhl, Jr. ,  Kenneth R. Beebe

IPC: G01J3/28 ,  G01N21/27 ,  G01J3/42

CPC classification number: G01N21/274 ,  G01J2003/2879 ,  G01N2201/129

Abstract: The system consists of a light source, a monochrometer, one or more etalons or other stable samples, a detector and a computer to store reference spectra, provide a read out indicative of the spectrum, and to change the instrument response. A transfer function is used to recharacterize the instrument's wavelength position and intensity response to match the actual spectrum with the standard spectrum. In one embodiment, the etalon is used in series with the unknown sample. A spectrum of the sample and etalon is created and is extracted from the spectrum of the sample alone to provide the actual spectrum of the instrument response to the etalon alone. The actual spectrum can then be compared to the standard spectrum and the instrument response recharacterized accordingly.

Abstract translation: 该系统由光源，单色仪，一个或多个标准具或其他稳定样品组成，用于存储参考光谱的检测器和计算机，提供指示光谱的读出以及改变仪器响应。 传递函数用于重新定义仪器的波长位置和强度响应，以将实际光谱与标准光谱相匹配。 在一个实施例中，标准具与未知样品串联使用。 产生样品和标准具的光谱，并从样品的光谱中提取样品和标准具，以提供仪器对标准具单独响应的实际光谱。 然后可以将实际光谱与标准光谱进行比较，并且相应地重新表征仪器响应。

公开(公告)号：US5351198A

公开(公告)日：1994-09-27

申请号：US837235

申请日：1992-02-14

Applicant: Masayuki Adachi ,  Yutaka Yamagishi ,  Kaori Inoue

Inventor： Masayuki Adachi ,  Yutaka Yamagishi ,  Kaori Inoue

IPC: G01J3/28 ,  G01N21/31 ,  G01N21/35 ,  G01N21/00

CPC classification number: G01N21/31 ,  G01J2003/2833 ,  G01N2021/3129 ,  G01N2021/3595 ,  G01N2201/129

Abstract: A quantitative analytical method with spectrometric analysis, wherein a sample is irradiated with light, and a plurality of ingredients contained in the sample to be measured are quantitatively determined on the basis of absorptivities at a plurality of appointed wave number points in an absorption spectrum obtained at that time. An assumed concentration-operating matrix is obtained from a combination of reference spectra for a plurality of ingredients, of which the concentrations have been known, and is previously prepared. The concentrations of the respective ingredients to be measured are calculated by the use of the concentration-operating matrix, thereby capable of carrying out a quantitative analysis in a short time with high accuracy.

Abstract translation: 一种使用光谱分析的定量分析方法，其中用光照射样品，并且基于在多个指定波数点处的吸收光谱定量测定待测样品中包含的多种成分，该吸收光谱在 那时。 从多种成分的参考光谱的组合获得假定的浓度操作矩阵，其浓度已知，并且预先准备好。 通过使用浓度操作矩阵计算待测量的各成分的浓度，从而能够在高精度的短时间内进行定量分析。

公开(公告)号：US5349189A

公开(公告)日：1994-09-20

申请号：US972259

申请日：1992-11-05

Applicant: Steven M. Maggard

Inventor： Steven M. Maggard

IPC: G01N21/27 ,  G01N21/35 ,  G01N33/22 ,  G01N33/28

CPC classification number: G01N21/359 ,  G01N21/3577 ,  G01N33/2829 ,  G01N2201/129

Abstract: Certain selected wavelengths in the near infrared spectra permit analysis of weight percent, volume percent, or even mole percent of each component, e.g. PIANO (paraffin, isoparaffin, aromatic, napthenes, and olefins), octane (preferably research, motor or pump), and percent of various hydrocarbons, e.g. alpha olefins. Analysis can be nearly continuous analysis on-line or at-line, as well as batch analysis, e.g. in a quality control laboratory. Preferably the NIR data is converted to a second derivative of the spectra and multiple linear regression performed to model the individual PIANO concentrations, and to predict physical properties of fuel blending components, e.g. research octane of reformate, etc.

Abstract translation: 在近红外光谱中某些选定的波长允许分析每个组分的重量百分比，体积百分比或甚至摩尔百分比，例如。 PIANO（石蜡，异链烷烃，芳族，萘和烯烃），辛烷（优选研究，马达或泵）和各种烃的百分比，例如。 α-烯烃。 分析可以在线或在线几乎连续分析，以及批次分析，例如。 在质量控制实验室。 优选地，将NIR数据转换为光谱的二阶导数，并进行多重线性回归，以模拟单个PIANO浓度，并预测燃料混合组分的物理性质，例如， 研究重组油的辛烷值等

公开(公告)号：US5250811A

公开(公告)日：1993-10-05

申请号：US812247

申请日：1991-12-20

Applicant: Joseph E. Lippert ,  Russell Jacobsmeyer

Inventor： Joseph E. Lippert ,  Russell Jacobsmeyer

IPC: G01N21/35 ,  G01N21/84 ,  G01N21/86 ,  G01N21/25 ,  G01N21/31

CPC classification number: G01N21/3559 ,  G01N21/3563 ,  G01N2021/1742 ,  G01N2021/3595 ,  G01N2021/8427 ,  G01N2021/8663 ,  G01N2201/129

Abstract: A method for obtaining quantitative compositional information from a multilayer web containing a highly light-scattering component. The compositional information is obtained by measuring and analyzing the transmitted or diffusely reflected infrared spectrum. The method allows for separately determining the moisture content of hydrophobic (non-hydrogen bonding) layers and hydrophilic (hydrogen bonding) layers of multilayer webs. The separate measurements of moisture content can be made simultaneously in moving webs having both types of layers present. The method is used to determine further compositional information such as the thickness of the individual support and gelatin containing layers, plasticizer content, retained solvents content, and the presence of other components in webs, especially photographic webs.

公开(公告)号：US5210778A

公开(公告)日：1993-05-11

申请号：US685266

申请日：1991-04-12

Applicant: Desire J. L. Massart

Inventor： Desire J. L. Massart

IPC: G01N15/06 ,  G01N21/27 ,  G01N21/31 ,  G01N23/20 ,  G01N23/22

CPC classification number: G01N21/274 ,  G01N21/3103 ,  G01N2201/129

Abstract: An analytical instrument, for example an atomic absorption spectrophotometer, comprises means for measuring the absorbance of a plurality of standards of known concentration (100) and plotting the measured absorbance against concentration (101). A straight line is fitted to the plotted points (102) and a quality co-efficient calculated (103). If the quality co-efficient is acceptable (104) the calibration line is used for measurement of samples (105). If not, then the slope of the line joining each point to the origin is determined and if the slopes are random (107) then a robust regression technique is used to fit the calibration line (108). If outliers are then detected (109) it is determined which points are outliers (110) and appropriate action taken, for example to restrict the range if the last point(s) is/are outliers (111). If the slopes determined in step (106) are not random, then, provided more than fourpoints remain (113), the slope of each point with respect to the first point is determined (114). If they are again not random (115), then a curved calibration line is diagnosed while if they are random, a straight line not passing through the origin is diagnosed (117). In atomic absorption spectroscopy a straight line not passing through the origin indicates a problem with the blank solution, for example, contamination.