The geodiv r package: Tools for calculating gradient surface metrics.
Ontology highlight
ABSTRACT:
SUBMITTER: Smith AC
PROVIDER: S-EPMC9292368 | biostudies-literature |
REPOSITORIES: biostudies-literature
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Project description:Metrics describing the shape and size of lakes, known as lake morphometry metrics, are important for any limnological study. In cases where a lake has long been the subject of study these data are often already collected and are openly available. Many other lakes have these data collected, but access is challenging as it is often stored on individual computers (or worse, in filing cabinets) and is available only to the primary investigators. The vast majority of lakes fall into a third category in which the data are not available. This makes broad scale modelling of lake ecology a challenge as some of the key information about in-lake processes are unavailable. While this valuable in situ information may be difficult to obtain, several national datasets exist that may be used to model and estimate lake morphometry. In particular, digital elevation models and hydrography have been shown to be predictive of several lake morphometry metrics. The R package lakemorpho has been developed to utilize these data and estimate the following morphometry metrics: surface area, shoreline length, major axis length, minor axis length, major and minor axis length ratio, shoreline development, maximum depth, mean depth, volume, maximum lake length, mean lake width, maximum lake width, and fetch. In this software tool article we describe the motivation behind developing lakemorpho, discuss the implementation in R, and describe the use of lakemorpho with an example of a typical use case.
| S-EPMC5698920 | biostudies-other
Project description:BACKGROUND:Traditional selection in livestock and crops focuses on additive genetic values or breeding values of the individuals. While traditional selection utilizes variation between individuals, differences between gametes within individuals have been less frequently exploited in selection programs. With the successful implementation of genomic selection in livestock and crops, estimation and selection for gametic variation is becoming possible. RESULTS:The gamevar.f90 software is designed to estimate individual-level variance of genetic values of gametes for complex traits in large populations. The software estimates the (co)variances of gametic diversity as well as other diversity parameters that are useful for selection programs and mating designs. The calculation is carried out chromosome by chromosome and can be easily parallelized. The gamevar.f90 program is written in Fortran with efficient computing algorithms in a user-friendly software package with easily-handled input and output files. Finally, we applied the program to estimate gametic variance for hundreds of bulls for lifetime net merit, productive life, and livability. The RPTA (relative predicted transmitting ability), assuming a future selection intensity (if) of 1.5, showed larger variance than GEBV/2, indicating that greater future genetic gains can be obtained using an index that includes gametic variances. We also used the relative coefficient of variation to estimate with 95% confidence the sample sizes required to observe 90% variability of the progeny for lifetime net merit (or to allow at maximum 10% of change in the EBV predicted from progeny data). CONCLUSIONS:Collectively, we develop an efficient computer program package, gamevar.f90, for estimating gametic variance for large numbers of individuals. The novel information on gametic variation will be useful in future animal and crop breeding programs.
| S-EPMC7060627 | biostudies-literature
Project description:Multibiomarker studies are useful to evaluate the early warning signs of environmental degradation, and their unified responses are often assessed through two common indexes, Integrated Biomarker Response (IBR) and Integrated Biological Responses version 2 (IBRv2). The R package IBRtools allows users to calculate both IBR and IBRv2 while simultaneously incorporating all the biomarkers under evaluation. The package includes functions for calculating the indexes IBR and IBRv2 and obtaining their standardized values, as well a function for radar chart creation and three example datasets. Here we describe the main algorithms involved in IBR and IBRv2 calculations, a description of the novel package and illustrate a workflow using data examples available on the package to guide the user on how to accurately acquire the values for either the IBR index or the IBRv2 index. The IBRtools package provides a user-friendly platform for R users to obtain IBR index and IBRv2 values, making it straightforward even for large datasets.
| S-EPMC10834099 | biostudies-literature
Project description:The timing of phytoplankton growth (phenology) in tropical oceans is a crucial factor influencing the survival rates of higher trophic levels, food web structure and the functioning of coral reef ecosystems. Phytoplankton phenology is thus categorised as an 'ecosystem indicator', which can be utilised to assess ecosystem health in response to environmental and climatic perturbations. Ocean-colour remote sensing is currently the only technique providing global, long-term, synoptic estimates of phenology. However, due to limited available in situ datasets, studies dedicated to the validation of satellite-derived phenology metrics are sparse. The recent development of autonomous oceanographic observation platforms provides an opportunity to bridge this gap. Here, we use satellite-derived surface chlorophyll-a (Chl-a) observations, in conjunction with a Biogeochemical-Argo dataset, to assess the capability of remote sensing to estimate phytoplankton phenology metrics in the northern Red Sea - a typical tropical marine ecosystem. We find that phenology metrics derived from both contemporary platforms match with a high degree of precision (within the same 5-day period). The remotely-sensed surface signatures reflect the overall water column dynamics and successfully capture Chl-a variability related to convective mixing. Our findings offer important insights into the capability of remote sensing for monitoring food availability in tropical marine ecosystems, and support the use of satellite-derived phenology as an ecosystem indicator for marine management strategies in regions with limited data availability.
| S-EPMC6345824 | biostudies-other
Project description:Genomic research involving human genetics and evolutionary biology relies heavily on linkage disequilibrium (LD) to investigate population-specific genetic structure, functionally map regions of disease susceptibility and uncover evolutionary history. Interactive and powerful tools are needed to calculate population-specific LD estimates for integrative genomics research. LDlink is an interactive suite of web-based tools developed to query germline variants in 1000 Genomes Project population groups of interest and generate interactive tables and plots of LD estimates. As an expansion to this resource, we have developed an R package, LDlinkR, designed to rapidly calculate statistics for large lists of variants and LD attributes that eliminates the time needed to perform repetitive requests from the web-based LDlink tool. LDlinkR accelerates genomic research by providing efficient and user-friendly functions to programmatically interrogate and download pairwise LD estimates from expansive lists of genetic variants. LDlinkR is a free and publicly available R package that can be installed from the Comprehensive R Archive Network (CRAN) or downloaded from https://github.com/CBIIT/LDlinkR.
| S-EPMC7059597 | biostudies-literature
Project description:The dipole interaction model is a classical electromagnetic theory for calculating circular dichroism (CD) resulting from the π-π* transitions of amides. The theoretical model, pioneered by J. Applequist, is assembled into a package, DInaMo, written in Fortran allowing for treatment of proteins. DInaMo reads Protein Data Bank formatted files of structures generated by molecular mechanics or reconstructed secondary structures. Crystal structures cannot be used directly with DInaMo; they either need to be rebuilt with idealized bond angles and lengths, or they need to be energy minimized to adjust bond lengths and bond angles because it is common for crystal structure geometries to have slightly short bond lengths, and DInaMo is sensitive to this. DInaMo reduces all the amide chromophores to points with anisotropic polarizability and all nonchromophoric aliphatic atoms including hydrogens to points with isotropic polarizability; all other atoms are ignored. By determining the interactions among the chromophoric and nonchromophoric parts of the molecule using empirically derived polarizabilities, the rotational and dipole strengths are determined leading to the calculation of CD. Furthermore, ignoring hydrogens bound to methyl groups is initially explored and proves to be a good approximation. Theoretical calculations on 24 proteins agree with experiment showing bands with similar morphology and maxima.
| S-EPMC4613251 | biostudies-literature
Project description:The Demographic and Health Surveys (DHS) are a major source for many demographic and health indicators in developing countries. Although these indicators are well defined in the literature, using survey data to calculate some of these indicators has never been an easy task for data users. This paper presents the DHS.rates software, a user-friendly R package developed to calculate fertility indicators, such as the total fertility rate, general fertility rate, and age-specific fertility rates, and childhood mortality indicators, such as the neonatal mortality rate, post-neonatal mortality rate, infant mortality rate, child mortality rate, and under-5 mortality rate, from the DHS data. The package allows for national and subnational indicators. In addition, the package calculates sampling error indicators such as standard error, design effect, relative standard error, and confidence interval for each demographic indicator. The package can also be used to calculate the same indicators from other population surveys such as the Multiple Indicator Cluster Survey (MICS).
| S-EPMC6534308 | biostudies-literature
Project description:IntroductionIn smoking cessation clinical trials, timeline followback (TLFB) interviews are widely used to track daily cigarette consumption. However, there are no standard tools for calculating abstinence based on TLFB data. Individual research groups have to develop their own calculation tools, which is not only time- and resource-consuming but might also lead to variability in the data processing and calculation procedures.Aims and methodsTo address these issues, we developed a novel open-source Python package named abstcal to calculate abstinence using TLFB data. This package provides data verification, duplicate and outlier detection, missing-data imputation, integration of biochemical verification data, and calculation of a variety of definitions of abstinence, including continuous, point-prevalence, and prolonged abstinence.ResultsWe verified the accuracy of the calculator using data derived from a clinical smoking cessation study. To improve the package's accessibility, we have made it available as a free web app.ConclusionsThe abstcal package is a reliable abstinence calculator with open-source access, providing a shared validated online tool to the addiction research field. We expect that this open-source abstinence calculation tool will improve the rigor and reproducibility of smoking and addiction research by standardizing TLFB-based abstinence calculation.ImplicationsAbstinence calculation is an essential task in any smoking intervention study. However, there have not been standard open-source tools available to the researchers. This commentary describes a Python-based package called abstcal that can calculate abstinence from TLFB data, a common methodology to collect smoking consumption data in research settings. The package supports the calculation of point-prevalence, prolonged, and continuous abstinence. Importantly, the package has a web app interface that allows researchers to use the tool without any coding experience. This tool will facilitate smoking research by providing a standardized and easy-to-use abstinence calculation tool.
| S-EPMC8826113 | biostudies-literature
Project description:The design of X-ray optics based on diffraction from crystals depends on the accurate calculation of the structure factors of their Bragg reflections over a wide range of temperatures. In general, the temperature dependence of the lattice parameters, the atomic positions and the atomic thermal vibrations is both anisotropic and nonlinear. Implemented here is a software package for precise and flexible calculation of structure factors for dynamical diffraction. α-Quartz is used as an example because it presents the challenges mentioned above and because it is being considered for use in high-resolution X-ray spectroscopy. The package is designed to be extended easily to other crystals by adding new material files, which are kept separate from the package's stable core. Python 3 was chosen as the language to allow the easy integration of this code into existing packages. The importance of a correct anisotropic treatment of the atomic thermal vibrations is demonstrated by comparison with an isotropic Debye model. Discrepancies between the two models can be as much as 5% for strong reflections and considerably larger (even to the level of 100%) for weak reflections. A script for finding Bragg reflections that backscatter X-rays of a given energy within a given temperature range is demonstrated. The package and example scripts are available on request. Also discussed, in detail, are the various conventions related to the proper description of chiral quartz.
| S-EPMC9348876 | biostudies-literature
Project description:We developed haploR, an R package for querying web based genome annotation tools HaploReg and RegulomeDB. haploR gathers information in a data frame which is suitable for downstream bioinformatic analyses. This will facilitate post-genome wide association studies streamline analysis for rapid discovery and interpretation of genetic associations.
| S-EPMC5461892 | biostudies-literature