公开(公告)号：US06333501B1

公开(公告)日：2001-12-25

申请号：US09493056

申请日：2000-01-27

Applicant: James N. Labrenz

Inventor： James N. Labrenz

IPC: G01J502

CPC classification number: G01N21/274 ,  G01J2003/2866 ,  G01N21/6428 ,  G01N2021/6417

Abstract: A system performs two types of spectral calibration. For the first type, the system collects data from monitoring an analytical separation of several spectrally-distinguishable molecular species and creates a data matrix from the collected data. Each element in the data matrix represents a signal intensity at a particular time and over a particular range of light wavelengths. The system then identifies regions in the data matrix that have spectral response characteristics of at least one of the molecular species, determines a set of pure component spectral responses from the identified regions, groups similar pure component spectral responses into clusters, determines a representative spectral response for each cluster, and correlates the representative spectral response for each cluster with one of the molecular species. For the second type of calibration, the system collects data from monitoring an analytical separation of multiple spectrally-distinguishable molecular species and creates a data matrix from the collected data. Each element in the data matrix represents a signal intensity at a particular time and over a particular range of light wavelengths. The system then identifies binary mixture regions within the data matrix, determines pairs of the binary mixture regions that contain one common spectral response, identifies a component that represents the one common spectral response using data in the determined pairs, groups the one common spectral response from each of the determined pairs into clusters, determines a representative spectral response for each cluster, and correlates the representative spectral response for each cluster with one of the molecular species.

Abstract translation: 系统执行两种类型的光谱校准。 对于第一种类型，系统收集数据，监测几个光谱可区分分子种类的分析分离，并从收集的数据中创建数据矩阵。 数据矩阵中的每个元素表示在特定时间和特定光波长范围上的信号强度。 该系统然后识别数据矩阵中具有至少一个分子种类的光谱响应特性的区域，从所识别的区域确定一组纯分量光谱响应，将相似的纯分量光谱响应组合成簇，确定代表性光谱响应 并且将每个簇的代表性光谱响应与分子种类之一相关联。 对于第二种类型的校准，系统从监测多个光谱可区分分子物质的分析分离中收集数据，并从收集的数据中创建数据矩阵。 数据矩阵中的每个元素表示在特定时间和特定光波长范围上的信号强度。 然后，系统识别数据矩阵内的二进制混合区域，确定包含一个共同光谱响应的二进制混合区域的对，使用确定的对中的数据识别表示一个共同光谱响应的分量，将一个共同光谱响应从 每个确定的对成簇，确定每个簇的代表性光谱响应，并且将每个簇的代表性光谱响应与分子种类之一相关联。