This package provides a collection of functions for statistical and multivariate analysis of surface-related data, with a focus on antimicrobial activity and omniphobicity. Designed to support materials scientists and researchers in exploring structureâ function relationships in surface-engineered materials through reproducible and interpretable workflows. For more details, see Li et al. (2021) <doi:10.1002/advs.202100368>, and Kwon et al. (2020) <doi:10.3390/polym12081826>.

This package provides a simple tool for numerical optimization on the unit sphere. This is achieved by combining the spherical coordinating system with L-BFGS-B optimization. This algorithm is implemented in Kolkiewicz, A., Rice, G., & Xie, Y. (2020) <doi:10.1016/j.jspi.2020.07.001>.

This package provides a pipeline that can process single or multiple Single Cell RNAseq samples primarily specializes in Clustering and Dimensionality Reduction. Meanwhile we use common cell type marker genes for T cells, B cells, Myeloid cells, Epithelial cells, and stromal cells (Fiboblast, Endothelial cells, Pericyte, Smooth muscle cells) to visualize the Seurat clusters, to facilitate labeling them by biological names. Once users named each cluster, they can evaluate the quality of them again and find the de novo marker genes also.

This package provides functions for performing common tasks when working with slippy map tile service APIs e.g. Google maps, Open Street Map, Mapbox, Stamen, among others. Functionality includes converting from latitude and longitude to tile numbers, determining tile bounding boxes, and compositing tiles to a georeferenced raster image.

Build a project framework for users with access to only the most basic of automation tools.

This package provides a framework to generating random variates from arbitrary multivariate copulae, while concentrating on (bivariate) extreme value copulae. Particularly useful if the multivariate copulae are not available in closed form. Detailed discussion of the methodologies used can be found in Tajvidi and Turlach (2018) <doi:10.1111/anzs.12209>.

Apply the spectral residual algorithm to data, such as a time series, to detect anomalies. Anomaly scores can be used to determine outliers based upon a threshold or fed into more sophisticated prediction models. Methods are based upon "Time-Series Anomaly Detection Service at Microsoft", Ren, H., Xu, B., Wang, Y., et al., (2019) <doi:10.48550/arXiv.1906.03821>.

Integrates the 13C nuclear magnetic resonance spectra using different integration ranges. Output depends on the method chosen. For the Molecular Mixing Model, a measurement of the fitting quality is given by its R-factor. For more details see: <doi:10.5281/zenodo.10137768>.

Perform analysis of variance when the experimental units are spatially correlated. There are two methods to deal with spatial dependence: Spatial autoregressive models (see Rossoni, D. F., & Lima, R. R. (2019) <doi:10.28951/rbb.v37i2.388>) and geostatistics (see Pontes, J. M., & Oliveira, M. S. D. (2004) <doi:10.1590/S1413-70542004000100018>). For both methods, there are three multicomparison procedure available: Tukey, multivariate T, and Scott-Knott.

This package creates 3D animated, interactive visualizations that can be viewed in a web browser.

During the preparation of data set(s) one usually performs some sanity checks. The idea is that irrespective of where the checks are performed, they are centralized by this package in order to list all at once with examples if a check failed.

Add significance marks to any R Boxplot, including a given significance niveau.

Various self-controlled case series models used to investigate associations between time-varying exposures such as vaccines or other drugs or non drug exposures and an adverse event can be fitted. Detailed information on the self-controlled case series method and its extensions with more examples can be found in Farrington, P., Whitaker, H., and Ghebremichael Weldeselassie, Y. (2018, ISBN: 978-1-4987-8159-6. Self-controlled Case Series studies: A modelling Guide with R. Boca Raton: Chapman & Hall/CRC Press) and <https://sccs-studies.info/index.html>.

An introduction to several novel predictive variable selection methods for random forest. They are based on various variable importance methods (i.e., averaged variable importance (AVI), and knowledge informed AVI (i.e., KIAVI, and KIAVI2)) and predictive accuracy in stepwise algorithms. For details of the variable selection methods, please see: Li, J., Siwabessy, J., Huang, Z. and Nichol, S. (2019) <doi:10.3390/geosciences9040180>. Li, J., Alvarez, B., Siwabessy, J., Tran, M., Huang, Z., Przeslawski, R., Radke, L., Howard, F., Nichol, S. (2017). <DOI: 10.13140/RG.2.2.27686.22085>.

Functionality for spatio-temporal modeling of large data sets is provided. A Gaussian process in space and time is defined through a stochastic partial differential equation (SPDE). The SPDE is solved in the spectral space, and after discretizing in time and space, a linear Gaussian state space model is obtained. When doing inference, the main computational difficulty consists in evaluating the likelihood and in sampling from the full conditional of the spectral coefficients, or equivalently, the latent space-time process. In comparison to the traditional approach of using a spatio-temporal covariance function, the spectral SPDE approach is computationally advantageous. See Sigrist, Kuensch, and Stahel (2015) <doi:10.1111/rssb.12061> for more information on the methodology. This package aims at providing tools for two different modeling approaches. First, the SPDE based spatio-temporal model can be used as a component in a customized hierarchical Bayesian model (HBM). The functions of the package then provide parameterizations of the process part of the model as well as computationally efficient algorithms needed for doing inference with the HBM. Alternatively, the adaptive MCMC algorithm implemented in the package can be used as an algorithm for doing inference without any additional modeling. The MCMC algorithm supports data that follow a Gaussian or a censored distribution with point mass at zero. Covariates can be included in the model through a regression term.

This package provides a consistently well behaved method of interpolation based on piecewise rational functions using Stineman's algorithm.

This package creates a data specification that describes the columns of a table (data.frame). Provides methods to read, write, and update the specification. Checks whether a table matches its specification. See specification.data.frame(),read.spec(), write.spec(), as.csv.spec(), respecify.character(), and %matches%.data.frame().

Sequential Monte Carlo (SMC) algorithms for fitting a generalised additive mixed model (GAMM) to surface-enhanced resonance Raman spectroscopy (SERRS), using the method of Moores et al. (2016) <arXiv:1604.07299>. Multivariate observations of SERRS are highly collinear and lend themselves to a reduced-rank representation. The GAMM separates the SERRS signal into three components: a sequence of Lorentzian, Gaussian, or pseudo-Voigt peaks; a smoothly-varying baseline; and additive white noise. The parameters of each component of the model are estimated iteratively using SMC. The posterior distributions of the parameters given the observed spectra are represented as a population of weighted particles.

Add-on for the scan package that creates plots from single-case data frames ('scdf'). It includes functions for styling single-case plots, adding phase-based lines to indicate various statistical parameters, and predefined themes for presentations and publications. More information and in depth examples can be found in the online book "Analyzing Single-Case Data with R and scan" Jürgen Wilbert (2026) <https://jazznbass.github.io/scan-Book/>.

This package implements statistical inference for systems of ordinary differential equations, that uses the integral-matching criterion and takes advantage of the separability of parameters, in order to obtain initial parameter estimates for nonlinear least squares optimization. Dattner & Yaari (2018) <arXiv:1807.04202>. Dattner et al. (2017) <doi:10.1098/rsif.2016.0525>. Dattner & Klaassen (2015) <doi:10.1214/15-EJS1053>.

Estimation of model parameters for marked Hawkes process. Accounts for missing data in the estimation of the parameters. Technical details found in (Tucker et al., 2019 <DOI:10.1016/j.spasta.2018.12.004>).

Calculate change point based on spectral clustering with the option to automatically calculate the number of clusters if this information is not available.

With satin functions, visualisation, data extraction and further analysis like producing climatologies from several images, and anomalies of satellite derived ocean data can be easily done. Reading functions can import a user defined geographical extent of data stored in netCDF files. Currently supported ocean data sources include NASA's Oceancolor web page <https://oceancolor.gsfc.nasa.gov/>, sensors VIIRS-SNPP; MODIS-Terra; MODIS-Aqua; and SeaWiFS. Available variables from this source includes chlorophyll concentration, sea surface temperature (SST), and several others. Data sources specific for SST that can be imported too includes Pathfinder AVHRR <https://www.ncei.noaa.gov/products/avhrr-pathfinder-sst> and GHRSST <https://www.ghrsst.org/>. In addition, ocean productivity data produced by Oregon State University can also be handled previous conversion from HDF4 to HDF5 format. Many other ocean variables can be processed by importing netCDF data files from two European Union's Copernicus Marine Service databases <https://marine.copernicus.eu/>, namely Global Ocean Physical Reanalysis and Global Ocean Biogeochemistry Hindcast.

Settings and functions to extend the knitr Stata engine.