June 17, 2025 Other Open Access

Pospiech, Solveig

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    <subfield code="a">&lt;p&gt;&lt;strong&gt;Format:&lt;/strong&gt; &lt;em&gt;HTML document (bookdown format)&lt;/em&gt;&lt;br&gt;
&lt;strong&gt;Purpose:&lt;/strong&gt; &lt;em&gt;This file provides a detailed description of the quality assurance and quality control (QA/QC) procedures applied to the plant concentration data collected during the study. It includes statistical analysis of reference materials, drift correction, uncertainty modeling, and evaluation of laboratory and field precision.&lt;/em&gt;&lt;/p&gt;

&lt;p&gt;&lt;strong&gt;Description of the File Content&lt;/strong&gt;&lt;/p&gt;

&lt;p&gt;This file is part of a larger data publication and serves as a supplementary document to the main dataset. It outlines the QA/QC procedures used to ensure the accuracy, precision, and reliability of the plant element concentration data. The file includes:&lt;/p&gt;

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	&lt;li&gt;
	&lt;p&gt;&lt;strong&gt;Reference Material (RM) Analysis:&lt;/strong&gt;&lt;/p&gt;

	&lt;ul&gt;
		&lt;li&gt;Statistical summaries of standard reference materials (SRMs) such as UPDEEP_SPRU_BARK_DRY, UPDEEP_SPRU_TWIG_DRY, and UPDEEP_SPRU_NEED_DRY.&lt;/li&gt;
		&lt;li&gt;Comparison of pre-analyzed SRM values with actual measurements.&lt;/li&gt;
		&lt;li&gt;X-charts showing the performance of SRMs over time and across different batches.&lt;/li&gt;
	&lt;/ul&gt;
	&lt;/li&gt;
	&lt;li&gt;
	&lt;p&gt;&lt;strong&gt;Drift and Offset Correction:&lt;/strong&gt;&lt;/p&gt;

	&lt;ul&gt;
		&lt;li&gt;Visualizations of raw and corrected data for routine samples, laboratory, and field replicates.&lt;/li&gt;
		&lt;li&gt;Analysis of data trends and correction of analytical drift and offsets.&lt;/li&gt;
	&lt;/ul&gt;
	&lt;/li&gt;
	&lt;li&gt;
	&lt;p&gt;&lt;strong&gt;Uncertainty Modeling:&lt;/strong&gt;&lt;/p&gt;

	&lt;ul&gt;
		&lt;li&gt;Calculation of relative standard deviation (RSD) from laboratory replicates.&lt;/li&gt;
		&lt;li&gt;Identification of elements with high uncertainty (RSD &amp;gt; 10%) that may be excluded from further analysis.&lt;/li&gt;
		&lt;li&gt;Tables and visualizations showing the distribution of uncertainties across different plant tissues.&lt;/li&gt;
	&lt;/ul&gt;
	&lt;/li&gt;
	&lt;li&gt;
	&lt;p&gt;&lt;strong&gt;Field Precision Assessment:&lt;/strong&gt;&lt;/p&gt;

	&lt;ul&gt;
		&lt;li&gt;Evaluation of field replicate data to assess variability in field sampling.&lt;/li&gt;
		&lt;li&gt;Identification of elements with poor field precision (RSD &amp;gt; 20%).&lt;/li&gt;
	&lt;/ul&gt;
	&lt;/li&gt;
	&lt;li&gt;
	&lt;p&gt;&lt;strong&gt;Data Preparation and Processing:&lt;/strong&gt;&lt;/p&gt;

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		&lt;li&gt;R code for data loading, cleaning, and transformation.&lt;/li&gt;
		&lt;li&gt;Use of packages such as &lt;code&gt;data.table&lt;/code&gt;, &lt;code&gt;ggplot2&lt;/code&gt;, &lt;code&gt;dplyr&lt;/code&gt;, and &lt;code&gt;kableExtra&lt;/code&gt; for data manipulation and visualization.&lt;/li&gt;
	&lt;/ul&gt;
	&lt;/li&gt;
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&lt;p&gt;&lt;strong&gt;Summary of Key Findings and Data Included&lt;/strong&gt;&lt;/p&gt;

&lt;ul&gt;
	&lt;li&gt;&lt;strong&gt;Reference Materials:&lt;/strong&gt; The file provides statistical summaries (mean, median, SD, RMAD) of SRMs used to monitor analytical performance. These are compared with actual measurements to assess accuracy and precision.&lt;/li&gt;
	&lt;li&gt;&lt;strong&gt;Drift Correction:&lt;/strong&gt; The data shows the effect of drift correction on plant concentration measurements, improving the consistency of results across different batches.&lt;/li&gt;
	&lt;li&gt;&lt;strong&gt;Uncertainty Analysis:&lt;/strong&gt; The RSD of laboratory replicates is calculated, and elements with high variability are flagged for exclusion.&lt;/li&gt;
	&lt;li&gt;&lt;strong&gt;Field Precision:&lt;/strong&gt; Field replicates are used to assess the variability of sampling and analysis in the field, with some elements showing poor precision.&lt;/li&gt;
	&lt;li&gt;&lt;strong&gt;Visualizations:&lt;/strong&gt; The file includes numerous plots (e.g., X-charts, scatter plots) to illustrate data trends, comparisons, and uncertainty levels.&lt;/li&gt;
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