System and method for spectral unmixing in a fiber array spectral translator based polymorph screening system
    32.
    发明授权
    System and method for spectral unmixing in a fiber array spectral translator based polymorph screening system 有权
    基于光纤阵列光谱变换器的多态性筛选系统中光谱解混合的系统和方法

    公开(公告)号:US07471386B2

    公开(公告)日:2008-12-30

    申请号:US11679112

    申请日:2007-02-26

    IPC分类号: G01J3/00

    摘要: The disclosure relates generally to methods and apparatus for using a fiber array spectral translator-based (“FAST”) spectroscopic system for performing spectral unmixing of a mixture containing multiple polymorphs. In an embodiment, a first spectrum of a mixture containing polymorphs of a compound is obtained using a photon detector and a fiber array spectral translator having plural fibers. A set of second spectra is provided where each spectrum of the set of second spectra may be representative of a different polymorph of the compound. The first spectrum and the set of second spectra may be compared, and based on the comparison, the presence of one or more polymorphs in the mixture may be determined.

    摘要翻译: 本公开总体上涉及使用用于执行含有多个多晶型物的混合物的光谱解混合的光纤阵列光谱转换器(“FAST”)光谱系统的方法和装置。 在一个实施方案中,使用具有多个纤维的光子检测器和光纤阵列光谱转换器获得含有化合物多晶型物的混合物的第一光谱。 提供了一组第二光谱,其中该组第二光谱的每个光谱可以代表该化合物的不同多晶型物。 可以比较第一光谱和第二光谱集,并且基于比较,可以确定混合物中一个或多个多晶型物的存在。

    Forensic Integrated Search Technology
    33.
    发明申请
    Forensic Integrated Search Technology 审中-公开
    法医综合搜索技术

    公开(公告)号:US20120072122A1

    公开(公告)日:2012-03-22

    申请号:US13246906

    申请日:2011-09-28

    IPC分类号: G06F19/00

    摘要: A system and method to search spectral databases and to identify unknown materials. A library comprising sublibraries is provided, each sublibrary containing a plurality of reference data sets corresponding to known materials. Test data sets are provided, characteristic of an unknown material. Each test data set is generated by one or more spectroscopic data generating instruments. Each sublibrary is searched and a corresponding set of scores is produced, indicating a likelihood of a match. Relative probability values are calculated for each searched sublibrary. All relative probability values are fused producing a set of final probability values, used to determine whether the unknown material is represented through a known material in the library. A highest final probability value is selected compared to a minimum confidence value. If the probability value is greater than or equal to the minimum confidence value, the known material is reported.

    摘要翻译: 搜索光谱数据库并识别未知材料的系统和方法。 提供了包括子库的库,每个子库包含对应于已知材料的多个参考数据集。 提供测试数据集,是未知材料的特征。 每个测试数据集由一个或多个光谱数据产生装置产生。 搜索每个子图书馆,并产生相应的一组分数,指示匹配的可能性。 对于每个搜索的子图库计算相对概率值。 所有相对概率值被融合,产生一组最终概率值,用于确定未知材料是否通过库中的已知材料表示。 与最小置信度值相比,选择最高最终概率值。 如果概率值大于或等于最小置信度值,则报告已知材料。

    Method and apparatus for spectral mixture resolution
    35.
    发明授权
    Method and apparatus for spectral mixture resolution 有权
    光谱混合分辨率的方法和装置

    公开(公告)号:US07933430B2

    公开(公告)日:2011-04-26

    申请号:US11918490

    申请日:2005-04-15

    申请人: Robert Schweitzer

    发明人: Robert Schweitzer

    IPC分类号: G06K9/00 G01J3/44

    摘要: The spectral method for determining the concentrations of a substance in a mixture of any number of substances is defined by a chemical image having a plurality of pixels (520). The method includes steps of providing a spectrum for each of the n number of substances in the mixture (530), and obtaining the spectrum for one of the plurality of pixels, and calculating a plurality of estimated concentrations of each substance in the mixture as a function of the spectrum for each substance and the spectrum for the pixel, and calculating a deviation value for each of the plurality of estimated concentrations as a function of the spectrum of each of the number of substances in the mixture, and selecting the estimated concentration with the lowest deviation factor as a most likely concentration of each substance in the mixture (550).

    摘要翻译: 用于确定任意数量物质的混合物中的物质的浓度的光谱方法由具有多个像素的化学图像(520)定义。 该方法包括以下步骤:为混合物(530)中的n种物质中的每一种提供光谱,并获得多个像素之一的光谱,并将该混合物中的每种物质的多个估计浓度计算为 每个物质的光谱功能和像素的光谱,并且根据混合物中的每种物质的光谱计算多个估计浓度中的每一个的偏差值,并且用 作为混合物中每种物质的最可能浓度的最低偏差因子(550)。

    Method for identifying components of a mixture via spectral analysis
    36.
    发明授权
    Method for identifying components of a mixture via spectral analysis 有权
    通过光谱分析识别混合物的组分的方法

    公开(公告)号:US07072770B1

    公开(公告)日:2006-07-04

    申请号:US10812233

    申请日:2004-03-29

    IPC分类号: G01N31/00

    摘要: The present invention is directed generally toward the field of spectral analysis and, more particularly, toward an improved method of identifying unknown components of a mixture from a set of spectra collected from the mixture using a spectral library including potential candidates. For example, the present method is directed to identifying components of a mixture by the steps which comprise obtaining a set of spectral data for the mixture that defines a mixture data space; ranking a plurality of library spectra of known elements according to their angle of projection into the mixture data space; calculating a corrected correlation coefficient for each combination of the top y ranked library spectra; and selecting the combination having the highest corrected correlation coefficient, wherein the known elements of the selected combination are identified as the components of the mixture.

    摘要翻译: 本发明一般涉及光谱分析领域,更具体地说,涉及使用包括潜在候选物的光谱库从混合物中收集的一组光谱识别混合物的未知组分的改进方法。 例如,本方法旨在通过包括获得用于限定混合数据空间的混合物的一组光谱数据的步骤来识别混合物的组分; 根据其投影到混合数据空间的角度对已知元素的多个库光谱进行排序; 计算顶级排名图书馆光谱的每个组合的校正相关系数; 以及选择具有最高校正相关系数的组合,其中所选组合的已知元素被识别为混合物的组分。