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2. 发明申请

WO03102543A2 A METHOD OF USING DATA BINNING IN THE ANALYSIS OF CHROMATOGRAHPY/SPECTROMETRY DATA 审中-公开
标题翻译：在色谱分析数据分析中使用数据的方法
公开(公告)号：WO03102543A2
公开(公告)日：2003-12-11
申请号：PCT/US0317190
申请日：2003-05-30
申请人： WATERS INVESTMENTS LTD , PLUMB ROBERT STEPHEN , STUMPF CHRIS LEE , GORENSTEIN MARC V
发明人： PLUMB ROBERT STEPHEN , STUMPF CHRIS LEE , GORENSTEIN MARC V
IPC分类号： G01N30/86 , G01N20060101 , G01N30/62 , G01N30/72 , G01N30/74 , G06F19/24 , H01J49/00 , H01J49/04 , H01J49/16 , G01N
CPC分类号： H01J49/0036 , G01N30/8675 , G06F19/24
摘要： Disclosed herein is a method of analyzing three-dimensional data obtainedfrom a chromatography/spectrometry process, in particular an LC/MS process using a two-dimensional multi-variant statistical analysis. The LC portion permits separation of analytes within a sample. The information obtained from such a procedure typically depends on retention time (R). As the analytes progress through the system, they enter the MS region of the LC/MS system. There they are ionized and a mass detector then detects these ionized species. The information procured from this procedure is generally reported as intensity for a corresponding m/z value. Therefore, an LC/MS system provides at least three pieces of information. Principle component analysis (PCA) is a robust method of multivariant analysis of this type of data between different samples. However, typically, PCA analysis is performed using only two-dimensional data. Therefore, it is expected that at least one parameter of data obtained from a LC/MS operation is lost, however, the methods disclosed herein preserves all three mathematical dimensions.
摘要翻译：本文公开了一种分析从色谱/光谱法过程获得的三维数据的方法，特别是使用二维多变量统计分析的LC / MS方法。 LC部分允许分离样品内的分析物。从这种方法获得的信息通常取决于保留时间（R）。当分析物通过系统进入时，它们进入LC / MS系统的MS区域。在那里它们被离子化，质量检测器然后检测这些电离物质。从该程序获得的信息通常被报告为对应的m / z值的强度。因此，LC / MS系统提供至少三条信息。原理分量分析（PCA）是一种对不同样本之间的这种数据进行多变量分析的可靠方法。然而，通常，仅使用二维数据来执行PCA分析。因此，期望从LC / MS操作获得的数据的至少一个参数丢失，然而，本文公开的方法保留所有三个数学维度。

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