Bio-optical Data from Chilean Coastal waters 2017 - 2020

This is a collection of data consisting of pigment concentration and composition, particulate and dissolved absorption co-efficients and total suspended matter concentration. The data relates to samples collected in Chilean coastal waters where aquaculture is present. The data will be used to develop a local algorithm for retrieved satellite estimates of bio-optical parameters in the water column.\nLineage: Water samples were taken on-board the vessel and stored under cool and dark conditions until filtering took place on land. Samples were analysed and QC procedures were carried out in the Bio-Analytical facility, CSIRO Marine Labs, Hobart. For pigment analysis, 4 litres of sample water was filtered through a 47 mm glass fibre filter (Whatman GF/F) and then stored in liquid nitrogen until analysis. To extract the pigments, the filters were cut into small pieces and covered with 100% acetone (3 mls) in a 10 ml centrifuge tube. The samples were vortexed for about 30 seconds and then sonicated for 15 minutes in the dark. The samples were then kept in the dark at 4 °C for approximately 15 hours. After this time 200 µL water was added to the acetone such that the extract mixture was 90:10 acetone:water (vol:vol) and sonicated once more for 15 minutes. The extracts were centrifuged to remove the filter paper and then filtered through a 0.2 µm membrane filter (Whatman, anatope) prior to analysis by HPLC using a Waters Alliance high performance liquid chromatography system, comprising a 2695XE separations module with column heater and refrigerated autosampler and a 2996 photo-diode array detector. Immediately prior to injection the sample extract was mixed with a buffer solution (90:10 28 mM tetrabutyl ammonium acetate, pH 6.5 : methanol) within the sample loop. Pigments were separated using a Zorbax Eclipse XDB-C8 stainless steel 150 mm x 4.6 mm ID column with 3.5 µm particle size (Agilent Technologies) with gradient elution as described in Van Heukelem and Thomas (2001). The separated pigments were detected at 436 nm and identified against standard spectra using Waters Empower software. Concentrations of chlorophyll a, chlorophyll b, b,b-carotene and b,e-carotene in sample chromatograms were determined from standards (Sigma, USA or DHI, Denmark). For Absorption coefficients: 4 litres of sample water was filtered through a 25 mm glass fibre filter (Whatman GF/F) and the filter was then stored flat in liquid nitrogen until analysis. Optical density spectra for total particulate matter were obtained using a Cintra 404 UV/VIS dual beam spectrophotometer equipped with an integrating sphere. For CDOM: water filtered through a 0.22 Durapore filter on an all glass filter unit. Optical density spectra was obtained using 10 cm cells in a Cintra 404 UV/vis spectrophotometer with Milli-q water as a reference. For TSM: determined by drying the filter at 60°C to constant weight; the filter may then be muffled at 450°C to burn off the organic fraction. The inorganic fraction is weighed ad the organic fraction is determined as the difference between the SPM and the inorganic fraction.

本数据集涵盖色素浓度与组成、颗粒态与溶解态吸收系数以及总悬浮颗粒物浓度四类数据，采集自存在水产养殖活动的智利沿海水域采样样本，将用于构建适用于该海域水体生物光学参数卫星反演的本地化算法。

数据溯源：水样采集于科考船之上，于阴凉避光条件下保存，直至陆地实验室完成过滤操作。所有样品均在霍巴特市澳大利亚联邦科学与工业研究组织（CSIRO）海洋实验室生物分析实验室完成分析与质量控制（QC）流程。

色素分析环节：取4升采样水样，通过47毫米玻璃纤维滤膜（Whatman GF/F）过滤，滤膜随后置于液氮中保存直至分析。将滤膜剪为小块，置于10毫升离心管中，加入3毫升100%丙酮进行覆盖。样品先涡旋混匀约30秒，随后于避光条件下超声处理15分钟，再置于4℃暗处静置约15小时。之后向丙酮提取液中加入200微升纯水，使丙酮与水的体积比达到90:10，再次超声处理15分钟。提取液经离心去除滤膜碎屑后，通过0.2微米聚醚砜膜滤器（Whatman Anatope）过滤，随后采用高效液相色谱（High Performance Liquid Chromatography, HPLC）进行分析。色谱分析系统为Waters Alliance高效液相色谱系统，包含带柱温箱与冷藏自动进样器的2695XE分离模块，以及2996光电二极管阵列检测器。进样前，将样品提取液与缓冲液（体积比90:10的28 mM四丁基醋酸铵溶液、pH 6.5与甲醇）在样品定量环中混合均匀。色素分离采用安捷伦科技（Agilent Technologies）生产的Zorbax Eclipse XDB-C8不锈钢色谱柱（柱长150 mm、内径4.6 mm、填料粒径3.5 µm），洗脱梯度参照Van Heukelem与Thomas（2001）的方法设置。分离后的色素于436 nm波长处进行检测，并通过Waters Empower软件对照标准光谱完成定性分析。样品色谱图中叶绿素a、叶绿素b、β,β-胡萝卜素与β,ε-胡萝卜素的浓度，通过对照标准品（美国Sigma公司或丹麦DHI公司）定量得到。

吸收系数测定环节：取4升采样水样，通过25毫米玻璃纤维滤膜（Whatman GF/F）过滤，滤膜平铺置于液氮中保存直至分析。总颗粒态物质的光密度光谱采用Cintra 404型紫外-可见双光束分光光度计测定，该仪器配备积分球。

有色溶解有机物（Colored Dissolved Organic Matter, CDOM）测定环节：水样通过全玻璃滤器装置中的0.22 µm Durapore滤膜过滤。光密度光谱采用10厘米比色皿，以超纯水（Milli-Q水）为参比，通过Cintra 404型紫外-可见分光光度计测定。

总悬浮颗粒物（Total Suspended Matter, TSM）测定环节：将滤膜置于60℃下烘干至恒重；随后可将滤膜置于450℃下马弗炉灼烧，去除有机组分。称量所得无机组分质量，有机组分质量通过总悬浮颗粒物与无机组分的质量差计算得到。