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Testing the uncertainty of diffuse reflectance spectroscopy methods for estimating marine sediment components by full-resolution spectrophotometry and principle component analyses

机译:通过全分辨率分光光度法和主成分分析测试漫反射光谱法估计海洋沉积物成分的不确定性

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Estimating terrestrial and biogenic component variations in marine sediment cores provide essential information in paleoceanographic studies. The variations of terrestrial and biogenic components can be used to infer the changes of sediment provenances that are important for understanding what processes have governed the sediment compositional changes in the cores. One non-destructive technique, diffuse reflectance spectroscopy (DRS), is now commonly used to capture high-resolution information on sediment component changes. The DRS method is a quick and cost-effective procedure for sediment core analysis that requires no chemical analysis with complicated procedures. Recently, one DRS device for capturing visible (VIS) color reflectance data (CRD) (400-700 nm) from core surfaces, the Minolta CM-2600d, has become a standard tool in all marine sediment core analysis. However, by capturing the visible wavelength of CRD only, there are uncertainties in the CRD near the ultraviolet (UV) and near-infrared (NIR) obtained by Minolta CM-2600d are poorly known. In this study, we used a full-resolution (FR) DRS device, the Analytical Spectral Device (ASD) LabSpec((R)) Pro FR ultraviolet! visible! near-infrared (UV/VIS/NIR) spectrometer (250-2500 nm) to compare with the CRD obtained from the Minolta CM-2600d, using the marine sediment core MD103264 taken from offshore southwestern Taiwan. We compared the differences in the VIS wavelength range of CRD between the two devices by analyzing the derivatives and a VARIMAX-rotated Principle Components Analysis (VPCA) of the CRD from 420 samples from core MD103264. Our results show significant uncertainties in CRD near the wavelengths of 400-450 and 650-700 nm in the data from the Minolta CM-2600d. These uncertainties could result in biased or erroneous estimates for terrestrial and biogenic components of marine sediment cores. Our experiments indicate that the CRD obtained with any device with VIS wavelength range only should be interpreted with caution, particularly in the 400-450 and 650-700 nm range. (c) 2015 Elsevier Ltd. All rights reserved.
机译:估算海洋沉积物核心中的陆地和生物成因成分变化,为古海洋学研究提供了重要信息。陆地和生物成分的变化可用于推断沉积物来源的变化,这对于了解哪些过程决定了岩心中沉积物成分的变化很重要。现在,一种非破坏性技术,即漫反射光谱(DRS),通常用于捕获有关沉积物成分变化的高分辨率信息。 DRS方法是一种用于沉积物岩心分析的快速且经济高效的方法,不需要复杂步骤的化学分析。最近,一种可从核心表面捕获可见(VIS)颜色反射率数据(CRD)(400-700 nm)的DRS设备Minolta CM-2600d已成为所有海洋沉积物核心分析的标准工具。但是,仅通过捕获CRD的可见波长,人们对美能达CM-2600d所获得的CRD在紫外线(UV)和近红外(NIR)附近的不确定性知之甚少。在这项研究中,我们使用了全分辨率(FR)DRS设备,分析光谱设备(ASD)LabSpec(R)Pro FR紫外线!可见!使用台湾西南沿海的海洋沉积物芯MD103264,将近红外(UV / VIS / NIR)光谱仪(250-2500 nm)与从Minolta CM-2600d获得的CRD进行比较。我们通过分析衍生自MD103264核心的420个样本的CRD的导数和VARIMAX旋转主成分分析(VPCA),比较了这两种设备之间CRD的VIS波长范围的差异。我们的结果表明,在来自Minolta CM-2600d的数据中,在400-450和650-700 nm波长附近的CRD中存在明显的不确定性。这些不确定性可能导致对海洋沉积物核心的陆地和生物成因成分的估计有偏差或错误。我们的实验表明,仅使用VIS波长范围的任何设备获得的CRD都应谨慎解释,尤其是在400-450和650-700 nm范围内。 (c)2015 Elsevier Ltd.保留所有权利。

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