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Nanosafety assessment, which seeks to evaluate the risks from exposure to nanoscale materials, spans materials synthesis and characterisation, exposure science, toxicology, and computational approaches, resulting in complex experimental workflows and diverse data types. Managing the data flows, with a focus on provenance (who generated the data and for what purpose) and quality (how was the data generated, using which protocol with which controls), as part of good research output management, is necessary to maximise the reuse potential and value of the data. Instance maps have been developed and evolved to visualise experimental nanosafety workflows and to bridge the gap between the theoretical principles of FAIR (Findable, Accessible, Interoperable and Re-usable) data and the everyday practice of experimental researchers. Instance maps are most effective when applied at the study design stage to associate the workflow with the nanomaterials, environmental conditions, method descriptions, protocols, biological and computational models to be used, and the data flows arising from study execution. Application of the InstanceMaps tool (described herein) to research workflows of increasing complexity is presented to demonstrate its utility, starting from (i) documentation of a nanomaterial’s synthesis, functionalisation, and characterisation, over (ii) assessment of a nanomaterial’s transformations in complex media, (iii) description of the culturing of ecotoxicity model organisms Daphnia magna and their use in standardised tests for nanomaterials ecotoxicity assessment, and (iv) visualisation of complex workflows in human immunotoxicity assessment using cell lines and primary cellular models, to (v) the use of the instance map approach for the coordination of materials and data flows in complex multipartner collaborative projects and for the demonstration of case studies. Finally, areas for future development of the instance map approach and the tool are highlighted.

To assist investigators planning, coordinating, and conducting systematic reviews in the selection of data-extraction tools for conducting systematic reviews. We constructed an initial table listing available data-collection tools and reflecting our experience with these tools and their performance. An international group of experts iteratively reviewed the table and reflected on the performance of the tools until no new insights and consensus resulted. Several tools are available to manage data in systematic reviews, including paper and pencil, spreadsheets, web-based surveys, electronic databases, and web-based specialized software. Each tool offers benefits and drawbacks: specialized web-based software is well suited in most ways, but is associated with higher setup costs. Other approaches vary in their setup costs and difficulty, training requirements, portability and accessibility, versatility, progress tracking, and the ability to manage, present, store, and retrieve data. Available funding, number and location of reviewers, data needs, and the complexity of the project should govern the selection of a data-extraction tool when conducting systematic reviews.

Researchers face many, often seemingly arbitrary, choices in formulating hypotheses, designing protocols, collecting data, analyzing data, and reporting results. Opportunistic use of “researcher degrees of freedom” aimed at obtaining statistical significance increases the likelihood of obtaining and publishing false-positive results and overestimated effect sizes. Preregistration is a mechanism for reducing such degrees of freedom by specifying designs and analysis plans before observing the research outcomes. The effectiveness of preregistration may depend, in part, on whether the process facilitates sufficiently specific articulation of such plans. In this preregistered study, we compared 2 formats of preregistration available on the OSF: Standard Pre-Data Collection Registration and Prereg Challenge Registration (now called “OSF Preregistration,” http://osf.io/prereg/ ). The Prereg Challenge format was a “structured” workflow with detailed instructions and an independent review to confirm completeness; the “Standard” format was “unstructured” with minimal direct guidance to give researchers flexibility for what to prespecify. Results of comparing random samples of 53 preregistrations from each format indicate that the “structured” format restricted the opportunistic use of researcher degrees of freedom better (Cliff’s Delta = 0.49) than the “unstructured” format, but neither eliminated all researcher degrees of freedom. We also observed very low concordance among coders about the number of hypotheses (14%), indicating that they are often not clearly stated. We conclude that effective preregistration is challenging, and registration formats that provide effective guidance may improve the quality of research.

The Modern-Era Retrospective Analysis for Research and Applications, version 2 (MERRA-2), updates NASA’s previous satellite-era (1980 onward) reanalysis system to include additional observations and improvements to the Goddard Earth Observing System, version 5 (GEOS-5), Earth system model. As a major step toward a full Integrated Earth Systems Analysis (IESA), in addition to meteorological observations, MERRA-2 now includes assimilation of aerosol optical depth (AOD) from various ground-and space-based remote sensing platforms. Here, in the first of a pair of studies, the MERRA-2 aerosol assimilation is documented, including a description of the prognostic model (GEOS-5 coupled to the GOCART aerosol module), aerosol emissions, and the quality control of ingested observations. Initial validation and evaluation of the analyzed AOD fields are provided using independent observations from ground, aircraft, and shipborne instruments. The positive impact of the AOD assimilation on simulated aerosols is demonstrated by comparing MERRA-2 aerosol fields to an identical control simulation that does not include AOD assimilation. After showing the AOD evaluation, this paper takes a first look at aerosol–climate interactions by examining the shortwave, clear-sky aerosol direct radiative effect. The companion paper (Part II) evaluates and validates available MERRA-2 aerosol properties not directly impacted by the AOD assimilation (e.g., aerosol vertical distribution and absorption). Importantly, while highlighting the skill of the MERRA-2 aerosol assimilation products, both studies point out caveats that must be considered when using this new reanalysis product for future studies of aerosols and their interactions with weather and climate.

Background No standards exist for the handling and reporting of data quality in health research. This work introduces a data quality framework for observational health research data collections with supporting software implementations to facilitate harmonized data quality assessments. Methods Developments were guided by the evaluation of an existing data quality framework and literature reviews. Functions for the computation of data quality indicators were written in R. The concept and implementations are illustrated based on data from the population-based Study of Health in Pomerania (SHIP). Results The data quality framework comprises 34 data quality indicators. These target four aspects of data quality: compliance with pre-specified structural and technical requirements ( integrity ); presence of data values ( completeness ); inadmissible or uncertain data values and contradictions ( consistency ); unexpected distributions and associations ( accuracy ). R functions calculate data quality metrics based on the provided study data and metadata and R Markdown reports are generated. Guidance on the concept and tools is available through a dedicated website. Conclusions The presented data quality framework is the first of its kind for observational health research data collections that links a formal concept to implementations in R. The framework and tools facilitate harmonized data quality assessments in pursue of transparent and reproducible research. Application scenarios comprise data quality monitoring while a study is carried out as well as performing an initial data analysis before starting substantive scientific analyses but the developments are also of relevance beyond research.

PurposeThe last few years have seen a surge of interest in artificial intelligence (AI). The purpose of this paper is to capture a snapshot of perceptions of the potential impact of AI on academic libraries and to reflect on its implications for library work.Design/methodology/approachThe data for the study were interviews with 33 library directors, library commentators and experts in education and publishing.FindingsInterviewees identified impacts of AI on search and resource discovery, on scholarly publishing and on learning. Challenges included libraries being left outside the focus of development, ethical concerns, intelligibility of decisions and data quality. Some threat to jobs was perceived. A number of potential roles for academic libraries were identified such as data acquisition and curation, AI tool acquisition and infrastructure building, aiding user navigation and data literacy.Originality/valueThis is one of the first papers to examine current expectations around the impact of AI on academic libraries. The authors propose the paradigm of the intelligent library to capture the potential impact of AI for libraries.

Background Medical record abstraction (MRA) is a commonly used method for data collection in clinical research, but is prone to error, and the influence of quality control (QC) measures is seldom and inconsistently assessed during the course of a study. We employed a novel, standardized MRA-QC framework as part of an ongoing observational study in an effort to control MRA error rates. In order to assess the effectiveness of our framework, we compared our error rates against traditional MRA studies that had not reported using formalized MRA-QC methods. Thus, the objective of this study was to compare the MRA error rates derived from the literature with the error rates found in a study using MRA as the sole method of data collection that employed an MRA-QC framework. Methods A comparison of the error rates derived from MRA-centric studies identified as part of a systematic literature review was conducted against those derived from an MRA-centric study that employed an MRA-QC framework to evaluate the effectiveness of the MRA-QC framework. An inverse variance-weighted meta-analytical method with Freeman-Tukey transformation was used to compute pooled effect size for both the MRA studies identified in the literature and the study that implemented the MRA-QC framework. The level of heterogeneity was assessed using the Q-statistic and Higgins and Thompson’s I 2 statistic. Results The overall error rate from the MRA literature was 6.57%. Error rates for the study using our MRA-QC framework were between 1.04% (optimistic, all-field rate) and 2.57% (conservative, populated-field rate), 4.00–5.53% points less than the observed rate from the literature ( p  < 0.0001). Conclusions Review of the literature indicated that the accuracy associated with MRA varied widely across studies. However, our results demonstrate that, with appropriate training and continuous QC, MRA error rates can be significantly controlled during the course of a clinical research study.

This is the first part of a two-paper series presenting the Global Streamflow Indices and Metadata archive (GSIM), a worldwide collection of metadata and indices derived from more than 35 000 daily streamflow time series. This paper focuses on the compilation of the daily streamflow time series based on 12 free-to-access streamflow databases (seven national databases and five international collections). It also describes the development of three metadata products (freely available at https://doi.pangaea.de/10.1594/PANGAEA.887477): (1) a GSIM catalogue collating basic metadata associated with each time series, (2) catchment boundaries for the contributing area of each gauge, and (3) catchment metadata extracted from 12 gridded global data products representing essential properties such as land cover type, soil type, and climate and topographic characteristics. The quality of the delineated catchment boundary is also made available and should be consulted in GSIM application. The second paper in the series then explores production and analysis of streamflow indices. Having collated an unprecedented number of stations and associated metadata, GSIM can be used to advance large-scale hydrological research and improve understanding of the global water cycle.

Accurate prediction of water quality contributes to the intelligent management and control of watershed ecology. Water Quality data has time series characteristics, but the existing models only focus on the forward time series when LSTM is introduced and do not consider the effect of the reverse time series on the model. Also did not take into account the different contributions of water quality sequences to the model at different moments. In order to solve this problem, this paper proposes a watershed water quality prediction model called AT-BILSTM. The model mainly contains a Bi-LSTM layer and a temporal attention layer and introduces an attention mechanism after bidirectional feature extraction of water quality time series data to highlight the data series that have a critical impact on the prediction results. The effectiveness of the method was verified with actual datasets from four monitoring stations in Lanzhou section of the Yellow River basin in China. After comparing with the reference model, the results show that the proposed model combines the bidirectional nonlinear mapping capability of Bi-LSTM and the feature weighting feature of the attention mechanism. Taking Fuhe Bridge as an example, compared with the original LSTM model, the RMSE and MAE of the model are reduced to 0.101 and 0.059, respectively, and the R2 is improved to 0.970, which has the best prediction performance among the four cross-sections and can provide a decision basis for the comprehensive water quality management and pollutant control in the basin.

Some aspects of science, taken at the broadest level, are universal in empirical research. These include collecting, analyzing, and reporting data. In each of these aspects, errors can and do occur. In this work, we first discuss the importance of focusing on statistical and data errors to continually improve the practice of science. We then describe underlying themes of the types of errors and postulate contributing factors. To do so, we describe a case series of relatively severe data and statistical errors coupled with surveys of some types of errors to better characterize the magnitude, frequency, and trends. Having examined these errors, we then discuss the consequences of specific errors or classes of errors. Finally, given the extracted themes, we discuss methodological, cultural, and systemlevel approaches to reducing the frequency of commonly observed errors. These approaches will plausibly contribute to the self-critical, self-correcting, ever-evolving practice of science, and ultimately to furthering knowledge.