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Evaluation of hierarchical agglomerative cluster analysis methods for discrimination of primary biological aerosol

机译:分层凝聚聚类分析方法评价原发性生物气溶胶的辨别方法

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In this paper we present improved methods for discriminating and quantifying primary biological aerosol particles (PBAPs) by applying hierarchical agglomerative cluster analysis to multi-parameter ultraviolet-light-induced fluorescence (UV-LIF) spectrometer data. The methods employed in this study can be applied to data sets in excess of 1 × 106 points on a desktop computer, allowing for each fluorescent particle in a data set to be explicitly clustered. This reduces the potential for misattribution found in subsampling and comparative attribution methods used in previous approaches, improving our capacity to discriminate and quantify PBAP meta-classes. We evaluate the performance of several hierarchical agglomerative cluster analysis linkages and data normalisation methods using laboratory samples of known particle types and an ambient data set. Fluorescent and non-fluorescent polystyrene latex spheres were sampled with a Wideband Integrated Bioaerosol Spectrometer (WIBS-4) where the optical size, asymmetry factor and fluorescent measurements were used as inputs to the analysis package. It was found that the Ward linkage with z-score or range normalisation performed best, correctly attributing 98 and 98.1 % of the data points respectively. The best-performing methods were applied to the BEACHON-RoMBAS (Bio–hydro–atmosphere interactions of Energy, Aerosols, Carbon, H2O, Organics and Nitrogen–Rocky Mountain Biogenic Aerosol Study) ambient data set, where it was found that the z-score and range normalisation methods yield similar results, with each method producing clusters representative of fungal spores and bacterial aerosol, consistent with previous results. The z-score result was compared to clusters generated with previous approaches (WIBS AnalysiS Program, WASP) where we observe that the subsampling and comparative attribution method employed by WASP results in the overestimation of the fungal spore concentration by a factor of 1.5 and the underestimation of bacterial aerosol concentration by a factor of 5. We suggest that this likely due to errors arising from misattribution due to poor centroid definition and failure to assign particles to a cluster as a result of the subsampling and comparative attribution method employed by WASP. The methods used here allow for the entire fluorescent population of particles to be analysed, yielding an explicit cluster attribution for each particle and improving cluster centroid definition and our capacity to discriminate and quantify PBAP meta-classes compared to previous approaches.
机译:在本文中,我们通过将分层凝聚的聚类分析施加到多参数紫外线诱导的荧光(UV-LIF)光谱仪数据,提出了用于辨别和量化原发性生物气溶胶颗粒(PBAPAP)的改进方法。本研究中使用的方法可以应用于台式计算机上超过1×106点的数据集,允许在要明确聚类的数据集中的每个荧光粒子。这减少了在先前方法中使用的误差和比较归因方法中发现的误区的可能性,从而提高了我们的歧视和量化PBAP Meta课程的能力。我们评估了几种层次凝聚集群分析链接和数据归一化方法的性能,使用已知粒子类型的实验室样本和环境数据集。用宽带集成的生物溶胶光谱仪(WIBS-4)取样荧光和非荧光聚苯乙烯胶乳球体,其中光学尺寸,不对称因子和荧光测量用作分析包的输入。发现病房连锁与Z分数或范围标准化分别表现出最佳,正确地归因于98和98.1%的数据点。最佳性能的方法应用于Beachon-rombas(能量,气溶胶,碳,H2O,有机物和氮岩石山生物原味气溶胶研究的Bio-Hydro-vallact族相互作用)环境数据集,发现Z-得分和范围标准化方法产生类似的结果,每种方法产生代表真菌孢子和细菌气溶胶的簇,与先前的结果一致。将Z分数结果与先前方法(WIBS分析程序,WASP)产生的簇进行了比较,在那里我们观察到WASP采用的预采样和对比归因方法导致真菌孢子浓度的高估为1.5倍,低估细菌气溶胶浓度为5.我们表明,由于误差定义,由于黄蜂采用的数据采样和比较归因方法,由于质心定义而导致的误报而导致误差引起的误差。这里使用的方法允许分析整个荧光粒子,从而为每个粒子产生明确的群集归因,并改善集群质心定义以及与先前的方法相比,鉴别和量化PBAP Meta-类的能力。

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