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A computer program(FEA)is presented for processing historical laboratory data.It performs on a list ofsample entries stored in a laboratory information management system.Using an algorithm which is basedon fuzzy set theory,FEA classifies the entries into a limited number of clusters called sample types.Theclassification is fully user-defined.The program transforms the historical data into a representation whichis more suitable for studying the performance of the laboratory or which can be used as preparation for asimulation project. 相似文献
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THREE-WAY METHODS FOR THE CALIBRATION OF CHROMATOGRAPHIC SYSTEMS:COMPARING PARAFAC AND THREE-WAY PLS
For the calibration of chromatographic systems,different methods can be used.One class of methodsutilizes three-way approaches.The calibration problem is stated in such a way that the decompositionof a three-way array can serve for the prediction of retention on new stationary phases.Two three-way approaches are presented:the Unfold-PCA and PARAFAC models.The theory ofboth methods is presented and the differences are highlighted,the main difference being that PARAFACis a trilinear decomposition whereas Unfold-PCA is not.Both three-way methods are evaluated on asmall data set consisting of retention measurements of eight solutes at six mobile phase compositions onsix stationary phases.The differences in performance of the two models are minor,For calibration purposes,two variants of the methods are discussed:three-way PLS and an extensionof PARAFAC.Again the theory and differences between the two methods are explained.The predictiveperformance of the two methods is compared using the same data set as earlier.The differences inpredictive performance,however,are minor.Both methods are capable of predicting 98% of thevariation in the test sets.Yet,there are other considerations when comparing methods than predictiveperformance,e.g.the quality of the predictions. 相似文献
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The methods PARAFAC and three-way PLS are compared with respect to their ability to predictreversed-phase retention values.Special attention is paid to simple validatory tools,the meaning and useof which are explained.The simple validatory tools consist of percentages of explained variation in the training set and thosethat can be calculated with the use of markers.These markers are special(reference)solutes,the retentionvalues of which are used to gain information about a new object for which predictions are wanted.Different validatory tools can be calculated with the use of these marker retention values:percentagesof used variation and mean sum of squared residuals after applying the model to these marker retentionvalues.The validatory tools are evaluated on their power to estimate their test set counterparts:thepercentages of explained variation in the test set and mean sum of squared prediction errors in the test set.Two different data sets from reversed-phase chromatography are used to evaluate the validatory tools.The first data set has a high signal-to-noise ratio and is measured under the same measurementconditions.The second data set has a low signal-to-noise ratio and is measured under differentmeasurement conditions.Some of the simple validatory tools seem to have relevance to their test setcounterparts,even in the case of the second data set. 相似文献
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Major eustatic fall has been invoked to explain Lower–Middle Cambrian boundary sandstones and faunal replacements on a number of Cambrian palaeocontinents. This proposal has been tested on the Moroccan and Spanish margins of West Gondwana and found to be inadequate to explain stratigraphical developments. In these regions, sandstone intervals long presumed to be regressive and late Early Cambrian in age are now shown to be early Middle Cambrian, and composed of a lower regressive and an overlying transgressive sandstone separated by a regional unconformity. Only the lower tidalites (i.e. Tazlaft Formation in Morocco and lower Daroca sandstones in Spain) record the Hawke Bay eustatic regression in West Gondwana. The Tazlaft is overlain by a newly recognized, unconformably overlying sandstone (Talelt Formation) that onlapped southern Morocco with reactivation of a pull‐apart or transcurrent regime. Up to 150 m of erosion on uplifted blocks in the High Atlas range and foundering of the Souss Basin to the south preceded onlap and deposition of the volcanic‐rich Tatelt, the correlative and depositional analogue of the upper Daroca and lower Valdemides Formations in northern Spain. With folding and erosion, a type 1 depositional sequence boundary also caps the Tatelt at its contact with an overlying, lower Middle Cambrian mudstone‐dominated succession. This unconformity probably occurs in Spain within the Valdemiedes Formation and corresponds to a faunal discontinuity called the ‘Valdemiedes geoevent’. The Iberian ‘Daroca regression’ and Moroccan ‘Asrir regression’ are misnomers, as the sandstones on which they are based are composite units with a lower regressive interval that records eustatic fall and an upper transgressive unit that records epeirogenically driven onlap. 相似文献
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An expert system is presented for automated time series analysis of laboratory sample input signals.Thesystem,AUTOCORR,builds a model of the time series by identifying the processes that are present.These are an uncorrelated random process and,underlying this,possibly one or more of the following:a first-order autoregressive process,a trend and a periodic process.AUTOCORR has a knowledge baseof 44 rules and 41 facts for this purpose.The employed shell,INFER,allows the use of algorithmicprocedures.Elaborate tests with simulated signals show that AUTOCORR has a very low false positivescore and is successful in describing time series for laboratory simulation models. 相似文献
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SIJMEN DE JONG 《地理学报(英文版)》1993,(6)
PLS1 regression is generally viewed as lying in between PCR and OLS regression.Proof is given thatthe coefficient of determination,R~2,for a PLS multivariate calibration model is at least as high as thatfor a PCR model with the same number of components.It appears that PLS can be linked to acorrelation-weighted polynomial regression of a constant response on the eigenvalues of the covariancematrix of the predictor variables. 相似文献
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柴达木盆地三湖地区生物气横向运聚成藏研究 总被引：19，自引：3，他引：19
本文系统研究了地层水盐度对微生物菌生长发育的制约，矿化度对生物气在地层水中溶解度的影响，泥岩盖层中高矿化度地层水对封盖性能的控制作用。柴达木盆地三湖（台吉乃尔湖，涩聂湖，达布逊湖）地区主要受南缘昆仑山冰雪溶水的补给，地层水从南向北运移，北斜坡第四系地层水的矿化度最高，北斜坡泻水-汇水区高盐度条件下生物菌的活跃程度受到抑制，影响生物气大量生成并从水中游离出来，中央凹陷及其南部低矿化度条件下更适宜生物气的生成，生物气在地层水中的溶解度随矿化度的增高明显降低，南缘低矿化度水中饱含的生物气经地层水从南向北携带，在北斜坡高矿化度条件上大量游离出来，实验测试证明泥岩饱和高矿化度地层水时，其突破压力增加约100倍，封盖性能大大提高，有效地保存了北斜坡游离相生物气，研究显示生物气总体上具有向北斜坡以水溶气方式进行横向运聚的特征，展示了北斜坡气源补给充足，具有满坡含气的巨大勘探潜力。结合生物气本身的发育特征和三湖地区的水文地质条件，提出了生物所首先以水溶气方式发生远距离的横向运移以后再以游离相进行垂向运聚成藏，这一结论对下一步三湖地区生物气勘探具有直接的指导意义。 相似文献
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Two recent databases show that the fossil record of insects is better than commonly supposed, comprising over 1000 families and 5000 genera. Insects (hexapods) first appeared in the Devonian, but by the Permian the number of orders present was similar to that of the present day. However, family data suggest an unsteady increase in diversity during the Phanerozoic, with four main peaks and troughs but no sudden change (supported by genera) at the Cretaceous/Tertiary transition. 相似文献
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