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        <gco:CharacterString>NMR spectral files from study of metabolomics of blue crab urine inducing fear in prey Dataset Description: &amp;lt;p&amp;gt;This dataset includes the following files, packaged in a&amp;amp;nbsp;.zip file:&amp;lt;/p&amp;gt;

&amp;lt;ul&amp;gt;
&amp;lt;li&amp;gt;archived_pca_spectra.zip =&amp;amp;nbsp;unprocessed&amp;amp;nbsp;&amp;lt;sup&amp;gt;1&amp;lt;/sup&amp;gt;H NMR spectral data files&amp;amp;nbsp;underlying PCA analysis&amp;amp;nbsp;in the publication &amp;quot;Chemical encoding of risk perception and predator detection among estuarine invertebrates.&amp;quot;&amp;lt;/li&amp;gt;
&amp;lt;li&amp;gt;archived_pls-r_spectra.zip =&amp;amp;nbsp;unprocessed &amp;lt;sup&amp;gt;1&amp;lt;/sup&amp;gt;H NMR spectral data files underlying PLS-R analysis in the publication &amp;quot;Chemical encoding of risk perception and predator detection among estuarine invertebrates.&amp;quot;&amp;lt;/li&amp;gt;
&amp;lt;li&amp;gt;README_ArchivedSpectraDataset (1).doc = readme file describing the files.&amp;lt;/li&amp;gt;
&amp;lt;li&amp;gt;spectral_labels_for_pls-r_dataset.xlsx = spreadsheet containing spectral labels.&amp;lt;/li&amp;gt;
&amp;lt;/ul&amp;gt;

&amp;lt;p&amp;gt;Poulin et al (2018) contains the analyses of the processed data. These NMR data files are also available from the Georgia Tech database, SMARTech at&amp;amp;nbsp;&amp;lt;a href=&amp;quot;http://hdl.handle.net/1853/59056&amp;quot; target=&amp;quot;_blank&amp;quot;&amp;gt;http://hdl.handle.net/1853/59056&amp;lt;/a&amp;gt;&amp;lt;/p&amp;gt; Methods and Sampling: &amp;lt;p&amp;gt;1H NMR spectra were processed in MATLAB, version 8.1.0.604, using NMRLab. Spectra were manually phased, baseline corrected, aligned, and the following regions excluded to remove contaminants from statistical analysis: TMSP (-0.5 to 0.5 ppm), water (4.6-5.2 ppm), residual methanol (3.2-3.4 ppm), and excess area (9.0-12.4 ppm) that contained no spectroscopic features. Spectroscopic features were clustered into 0.005 ppm bins, probabilistic quotient normalized to remove dilution bias, and generalized log (glog) transformed to avoid bias towards high concentration metabolites without affecting between-sample variation. Glog optimization values, λ, were generated from five technical replicates that consisted of equal parts from a single bulk urine sample using the methods above. For urine samples collected at Skidaway Institute of Oceanography, λ = 2.9359×10-7 and for urine samples at Georgia Tech λ = 8.2585×10-9.&amp;lt;/p&amp;gt;</gco:CharacterString>
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        <gmx:Anchor xlink:href="http://lod.bco-dmo.org/id/award/565702.rdf" xlink:title="OCE-1234449" xlink:actuate="onRequest">Funding provided by NSF Division of Ocean Sciences (NSF OCE) Award Number: OCE-1234449 Award URL: https://www.nsf.gov/awardsearch/show-award?AWD_ID=1234449</gmx:Anchor>
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