Abstract: 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.

Abstract: 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.