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    • 8. 发明申请
    • Adaptive Method for Outlier Detection and Spectral Library Augmentation
    • 异常检测和光谱库扩增的自适应方法
    • US20090012723A1
    • 2009-01-08
    • US12196921
    • 2008-08-22
    • Patrick J. TREADORobert SchweitzerJason Neiss
    • Patrick J. TREADORobert SchweitzerJason Neiss
    • G01N31/00G06F19/00
    • G16C20/20G16C20/90
    • A method for analyzing data from an unknown substance, whereby target data representative of an unknown substance is received and compared to reference data associated with one or more known substances. Such comparison determines one or more candidate substances. After determining candidate substances, it is determined if the target data is unique to a candidate substance. If the target data is unique to one of the candidate substances, then this determination is confirmed with fusion. If the target data is not unique, then the target data may be subjected to fusion and unmixing with fusion. If analysis of the target data determines that an outlier is present, then this target data is added to a pool of unassigned data. The addition of this new data to the pool of unassigned data may result in clustering of enough of the previously unassigned data to form a new candidate class. If analysis of the target data does not detect an outlier, but cannot be matched to an existing candidate class, the target data in this case can also be added to the pool of unassigned data. If no outlier is detected, and the Matching Existing Class step is successful, then the target data is added to the matched class. If this candidate class is confirmed, then it can be added to the list of existing classes.
    • 用于分析来自未知物质的数据的方法,由此接收表示未知物质的目标数据并与与一种或多种已知物质相关联的参考数据进行比较。 这种比较确定一种或多种候选物质。 在确定候选物质之后,确定目标数据是否对于候选物质是唯一的。 如果目标数据对于候选物质之一是唯一的,则通过融合确认该确定。 如果目标数据不是唯一的,则可以对目标数据进行融合和解混合。 如果目标数据的分析确定存在异常值,则该目标数据被添加到未分配数据的池中。 将此新数据添加到未分配数据池可能会导致足够的以前未分配数据的聚类,以形成新的候选类。 如果目标数据的分析没有检测到异常值,但是不能与现有候选类别匹配,则在这种情况下的目标数据也可以被添加到未分配数据的池中。 如果没有检测到异常值,并且匹配现有类步骤成功,则将目标数据添加到匹配的类中。 如果这个候选类被确认,那么它可以被添加到现有类的列表中。
    • 9. 发明授权
    • Method for identifying components of a mixture via spectral analysis
    • 通过光谱分析识别混合物的组分的方法
    • US07409299B2
    • 2008-08-05
    • US11407392
    • 2006-04-18
    • Robert SchweitzerWillem WindigPatrick J. Treado
    • Robert SchweitzerWillem WindigPatrick J. Treado
    • G01N31/00
    • G01J3/28G01N21/3577G01N21/359G01N33/02G01N2021/3129G01N2201/1293G06F19/703
    • Spectra data collected from a mixture defines an n-dimensional data space (n is the number of data points), and application of PCA techniques yields a subset of m-eigenvectors that effectively describe all variance in that data space. Bach member of a library of known components is examined based by representing each library spectrum as a vector in the m-dimensional space. Target factor testing techniques yield an angle between this vector and the data space. Those library members that have the smallest angles are considered to be potential mixture members and are ranked accordingly. Every combination of the top y library members is considered as a potential solution and a multivariate least-squares solution is calculated using the mixture spectra for each of the potential solutions. A ranking algorithm is then applied and used to select the combination that is most likely the set of pure components in the mixture.
    • 从混合物收集的光谱数据定义了n维数据空间(n是数据点的数量),并且PCA技术的应用产生有效描述该数据空间中的所有方差的m个特征向量的子集。 通过将每个库谱表示为m维空间中的向量来检查已知组件的库的Bach成员。 目标因子测试技术在该矢量与数据空间之间产生一个角度。 具有最小角度的那些图书馆成员被认为是潜在的混合成员并被相应排名。 顶级图书馆成员的每个组合都被认为是潜在的解决方案,并且使用每个潜在解决方案的混合谱来计算多变量最小二乘解。 然后应用排序算法并用于选择混合中最可能的纯组分集合的组合。
    • 10. 发明授权
    • Near infrared chemical imaging microscope
    • 近红外化学成像显微镜
    • US07268861B2
    • 2007-09-11
    • US11366762
    • 2006-03-02
    • Patrick J. TreadoMatthew NelsonScott Keitzel
    • Patrick J. TreadoMatthew NelsonScott Keitzel
    • G01J3/28
    • G01N21/359G01J3/2823G02B21/0016G02B21/06
    • A chemical imaging system is provided which uses a near infrared radiation microscope. The system includes an illumination source which illuminates an area of a sample using light in the near infrared radiation wavelength and light in the visible wavelength. A multitude of spatially resolved spectra of transmitted, reflected, emitted or scattered near infrared wavelength radiation light from the illuminated area of the sample is collected and a collimated beam is produced therefrom. A near infrared imaging spectrometer is provided for selecting a near infrared radiation image of the collimated beam. The filtered images are collected by a detector for further processing. The visible wavelength light from the illuminated area of the sample is simultaneously detected providing for the simultaneous visible and near infrared chemical imaging analysis of the sample. Two efficient means for performing three dimensional near infrared chemical imaging microscopy are provided.
    • 提供使用近红外辐射显微镜的化学成像系统。 该系统包括使用近红外辐射波长的光和可见波长的光来照射样品的区域的照明源。 收集来自样品的照射区域的透射,反射,发射或散射的近红外波长辐射光的多个空间解析光谱,并从其中产生准直光束。 提供近红外成像光谱仪用于选择准直光束的近红外辐射图像。 滤波后的图像由检测器收集以进一步处理。 同时检测来自样品的照射区域的可见波长的光,提供样品的同时可见和近红外化学成像分析。 提供了三维近红外化学成像显微镜的两种有效手段。