公开(公告)号：US5592402A

公开(公告)日：1997-01-07

申请号：US430093

申请日：1995-04-26

申请人： Kenneth R. Beebe ,  Glen H. Hughes ,  Harry D. Ruhl ,  Richard C. Winterton

发明人： Kenneth R. Beebe ,  Glen H. Hughes ,  Harry D. Ruhl ,  Richard C. Winterton

IPC分类号： G01N30/86 ,  G06F17/00 ,  G06G7/48 ,  G01N31/00 ,  G06G7/58

CPC分类号： G06K9/00503 ,  G01N30/8641 ,  G01N2201/129 ,  G01N30/8637

摘要： An improved method is provided for determining when a set of multivariate data (such as a chromatogram or a spectrum) is an outlier. The method involves using a procedure such as Principal Component Analysis to create a model describing a calibration set of spectra or chromatograms which is known to be normal, and to create residuals describing the portion of a particular spectrum or chromatogram which is not described by the model. The improvement comprises using an average residual spectrum calculated for the calibration set, rather than the origin of the model as a reference point for comparing a spectrum or chromatogram obtained from an unknown sample. The present invention also includes separating a complex set of data into various sub-parts such as sub-chromatograms or sub-spectra, so that outliers in any sub-part can be more readily detected. In one particular embodiment, the invention is directed towards a method for dividing a chromatogram into the sub-parts of peak information, baseline shape, baseline offset, and noise.

摘要翻译： 提供了一种改进的方法来确定何时一组多变量数据（如色谱图或光谱）是异常值。 该方法包括使用诸如主成分分析的过程来创建描述已知是正常的光谱或色谱图的校准集的模型，并且产生描述特定光谱或色谱图部分的残差，该模型未被模型描述 。 改进之处在于使用为校准集计算的平均残留光谱，而不是将模型的来源作为比较从未知样品获得的光谱或色谱图的参考点。 本发明还包括将复杂的数据集合分离成各种子部分，例如亚色谱图或子光谱，使得可以更容易地检测任何子部分中的异常值。 在一个具体实施方案中，本发明涉及将色谱图分成峰信息，基线形状，基线偏移和噪声的子部分的方法。

公开(公告)号：US5215556A

公开(公告)日：1993-06-01

申请号：US868917

申请日：1992-04-15

申请人： Joseph F. Hiller ,  Glen H. Hughes ,  Daniel P. Martin

发明人： Joseph F. Hiller ,  Glen H. Hughes ,  Daniel P. Martin

IPC分类号： G01N30/02 ,  G01N30/30

CPC分类号： G01N30/30 ,  G01N2030/025 ,  G01N2030/3015 ,  G01N2030/3023

摘要： Apparatus and method for temperature gradient capillary gas chromatography wherein the chromatography column is surrounded by an inner tube and the inner tube is surrounded by an outer tube. A first heat transfer fluid is heated to a first temperature and is flowed between the inner tube and the column in the same direction as the flow of carrier gas through the capillary column. A second heat transfer fluid is heated to a second temperature and is flowed in the opposite direction between the outer tube and the inner tube, the second temperature being lower than the first temperature. The invention is also an improved capillary gas chromatography method of the type that generally includes the steps of flowing a carrier gas through a capillary gas chromatography column to a detector, introducing a sample to be analyzed into the column and then detecting chromatographically resolved components of interest of the sample, the method having an optimum carrier gas velocity through the column, wherein the improvement of the instant invention is to establish a negative temperature gradient along at least a portion of the longitudinal length of the capillary gas chromatography column and to flow the carrier gas through the capillary gas chromatography column at less than the optimum carrier gas velocity.

摘要翻译： 用于温度梯度毛细管气相色谱的装置和方法，其中色谱柱被内管包围，内管被外管包围。 第一传热流体被加热到第一温度，并且沿着与通过毛细管柱的载气流相同的方向在内管和塔之间流动。 第二传热流体被加热到第二温度，并且在外管和内管之间沿相反方向流动，第二温度低于第一温度。 本发明还是改进的毛细管气相色谱法，其通常包括将载气通过毛细管气相色谱柱流动到检测器的步骤，将要分析的样品引入柱中，然后检测色谱分辨的感兴趣组分 该方法具有穿过柱的最佳载气速度，其中本发明的改进是沿着毛细管气相色谱柱的纵向长度的至少一部分建立负温度梯度并使载体流动 气体通过毛细管气相色谱柱小于最佳载气速度。