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PAUL GELADI Research Group for Chemometrics University of Ume S- Ume SwedenKIM ESBENSEN Norwegian Computer Center PB Blindern N- Oslo Norway 《地理学报(英文版)》1990,(5)
This is a first foray into the historical start and early years of chemometrics from about 1972 onwards.We have gathered interviews with three originators(Kowalski,Wold and Massart)as well as with aselected group of six other well-known chemometricians who gradually became active in the 1970s(Christie,Clementi,Hopke,Martens,Brown and Deming).The interviews include amongst a host ofsubjective recollections a succinct record of the key historical literature as highlighted by the interviewees'own rankings of‘earliest’and‘best’.A discussion of the most general commonalities in these interviews together with other historicalmaterial is presented in the second part of the paper. 相似文献
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This is a first foray into the historical start and early years of chemometrics from about 1972 onwards.We have gathered interviews with three originators(Kowalski,Wold and Massart)as well as with aselected group of six other well-known chemometricians who gradually became active in the 1970s(Christie,Clementi,Hopke,Martens,Brown and Deming).The interviews include amongst a host ofsubjective recollections a succinct record of the key historical literature as highlighted by the interviewees'own rankings of‘earliest’and‘best’.A discussion of the most general commonalities in these interviews together with other historicalmaterial is presented in the second part of the paper. 相似文献
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化学计量学与X射线荧光光谱分析 总被引：5，自引：1，他引：5
简要回顾了Ｘ＿射线荧光分析中数学校正模型的发展进程；阐述了基体校正方程与化学计量学之间的关系；介绍了偏最小二乘回归、神经网络、专家系统和模式识别等近期研究成果；以及轻元素测定、微束和薄层分析等数据处理技术。并对化学计量学方法在Ｘ＿射线荧光分析中的应用与发展前景作了评述 相似文献
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Mbongowo J. Mbuh 《国际地球制图》2013,28(12):1326-1349
AbstractPhosphorus and nitrogen have a strong influence on water resource and remote sensing technology has demonstrated that water quality monitoring over a greater range of temporal and spatial scales can be used to overcome these constraints. This research was designed to demonstrate the feasibility of combining remotely-sensed water quality observation and chemometric techniques to estimate water quality in the Shenandoah River. We used Airborne Real-time Cueing Hyperspectral Enhanced Reconnaissance (ARCHER) imagery, combined with a partial least squares analysis to characterize the spatial distribution of nutrients in the Sheanadoah river. ARCHER retrievals for phosphorous with cross-validation show high sensitivity in estimating water quality in the Shenandoah River with the Bentonville in the South Fork, with an R2 of 0.93 sensitivity. Using the significance level of 0.05, data from the summer of 2014 showed that the p-value was 0.00 for both nitrogen and phosphorous. Results show retrieval method is transferable. 相似文献
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V.S.ROSE R.M.HYDE Department of Physical Sciences Wellcome Research Laboratories South Eden Park Ro Beckenham Kent BR BS U.K.H.J.H.MACFIE AFRC Institute of Food Research Reading Laboratory Shinfiel Reading RG AT U.K. 《地理学报(英文版)》1990,(5)
A survey of members of the U.K.QSAR Discussion Group has been made to determine the extent ofuse and development of chemometric and artificial intelligence(AI)methods in the analysis ofmultivariate quantitative structure-activity relationship(QSAR)data in the U.K.Chemometric methodswere found to be well established in both industrial and educational establishments and there wassignificant method development occurring.AI methods were not employed to any great extent and thegeneral level of interest in these techniques was low compared to chemometric methods.A requirementfor more education in multivariate statistical methods and regression methods was indicated.A need fora user-friendly,comprehensive,commercially available multivariate statistical package containingmultivariate stability testing and regression diagnostic methods was identified. 相似文献
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人发中微量元素的原子光谱法测定及癌症病人初级临床诊断方法的研究 总被引：3，自引：0，他引：3
收集了厦门地区１３８例非癌症患者发样及６４例癌症病人发样。样品经湿法消化后，用电感耦合等离子体原子发射光谱（ＩＣＰ－ＡＥＳ）法测定其中２２种元素含量，用石墨炉原子吸收光谱（ＧＦ－ＡＡＳ）法测定了Ｓｅ含量，确定了厦门地区不同年龄段，不同性别发样中多种微量元素的含量范围。实验中通过对采样部位，采样方式，样品预处理方法（包括洗涤方法）、消化温度的比较及研究，选择了最佳实验条件，对发样中元素含量的纵向分布 相似文献
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S.C. Brassell R.G. Brereton G. Eglinton J. Grimalt G. Liebezeit' I.T. Marlowe U. Pflaumann M. Sarnthein 《Organic Geochemistry》1986,10(4-6)
The high-resolution stratigraphy of various marker compounds has been studied, using GC, HPLC and GC-MS, in a 13 m gravity core recovered from the Kane Gap region, eastern equatorial Atlantic, which provides a record of the glacial/interglacial episodes over the last million years. Downhole variations in many presumed source-specific components are observed (e.g. in n-alkanes from terrigenous land plants and dinosterol from dinoflagellates), which may be due to perturbations or cyclicities resulting from climatic change. Fluctuations in the unsaturation of alkenones attributable to variations in water temperatures show correlations with the glacial/interglacial cycles recorded in the δ18O values for planktonic foraminifera, thereby providing a potential organic geochemical measure of past climates. These molecular abundance data can be linked to the palaeotemperature record, following computer treatments using principal component and spectral analyses. Molecular stratigraphy shows promise as a new chemostratigraphical tool where other means of stratigraphy fail, for example, through calcium carbonate dissolution. 相似文献
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基于脂肪酸组成的海洋微藻化学计量学分类研究 总被引：2，自引：0，他引：2
运用平方欧氏距离为相似性测度、方差平方和为类间距，对海洋微藻进行基于脂肪酸组成的数值分类研究。20种微藻聚类分析的结果是将其分为4类：类I由6种金藻(a10-a15)组成；类Ⅱ由2种绿藻(a1，a3)、1种金藻(a16)和所有3种甲藻(a17—a19)组成；类Ⅲ由1种绿藻(a2)、1种红藻(a20)组成；类Ⅳ由2种绿藻(a4，a5)和全部4种硅藻(a6-a9)组成。这种化学计量学数值分类方法，不同于传统分类学、化学分类学方法，可帮助量化评价各种微藻的营养价值。 相似文献
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Statistical methods should be a means of reasoning and decision making integrated into research designin analytical chemistry and not merely an instrument for analysing empirical data.Consequently,full andrigorous use of these methods should be encouraged from the earliest stages of postgraduate training.In this paper a selection of well tried,straightforward procedures is given in the form of practicalstudies that give reliable,consistent and meaningful results. 相似文献
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