Split an untargeted metabolomics data set into a set of likely true metabolites and a set of likely measurement artifacts. This process involves comparing missing rates of pooled plasma samples and biological samples. The functions assume a fixed injection order of samples where biological samples are randomized and processed between intermittent pooled plasma samples. By comparing patterns of missing data across injection order, metabolites that appear in blocks and are likely artifacts can be separated from metabolites that seem to have random dispersion of missing data. The two main metrics used are: 1. the number of consecutive blocks of samples with present data and 2. the correlation of missing rates between biological samples and flanking pooled plasma samples.

Monte Carlo confidence intervals for free and defined parameters in models fitted in the structural equation modeling package lavaan can be generated using the semmcci package. semmcci has three main functions, namely, MC(), MCMI(), and MCStd(). The output of lavaan is passed as the first argument to the MC() function or the MCMI() function to generate Monte Carlo confidence intervals. Monte Carlo confidence intervals for the standardized estimates can also be generated by passing the output of the MC() function or the MCMI() function to the MCStd() function. A description of the package and code examples are presented in Pesigan and Cheung (2024) <doi:10.3758/s13428-023-02114-4>.

Stepwise regression is a statistical technique used for model selection. This package streamlines stepwise regression analysis by supporting multiple regression types(linear, Cox, logistic, Poisson, Gamma, and negative binomial), incorporating popular selection strategies(forward, backward, bidirectional, and subset), and offering essential metrics. It enables users to apply multiple selection strategies and metrics in a single function call, visualize variable selection processes, and export results in various formats. StepReg offers a data-splitting option to address potential issues with invalid statistical inference and a randomized forward selection option to avoid overfitting. We validated StepReg's accuracy using public datasets within the SAS software environment. For an interactive web interface, users can install the companion StepRegShiny package.

This package provides visualizations for SHAP (SHapley Additive exPlanations) such as waterfall plots, force plots, various types of importance plots, dependence plots, and interaction plots. These plots act on a shapviz object created from a matrix of SHAP values and a corresponding feature dataset. Wrappers for the R packages xgboost, lightgbm, fastshap, shapr, h2o, treeshap, DALEX, and kernelshap are added for convenience. By separating visualization and computation, it is possible to display factor variables in graphs, even if the SHAP values are calculated by a model that requires numerical features. The plots are inspired by those provided by the shap package in Python, but there is no dependency on it.

This package provides users with its associated functions for pedagogical purposes in visually learning Bayesian networks and Markov chain Monte Carlo (MCMC) computations. It enables users to: a) Create and examine the (starting) graphical structure of Bayesian networks; b) Create random Bayesian networks using a dataset with customized constraints; c) Generate Stan code for structures of Bayesian networks for sampling the data and learning parameters; d) Plot the network graphs; e) Perform Markov chain Monte Carlo computations and produce graphs for posteriors checks. The package refers to one reference item, which describes the methods and algorithms: Vuong, Quan-Hoang and La, Viet-Phuong (2019) <doi:10.31219/osf.io/w5dx6> The bayesvl R package. Open Science Framework (May 18).

Compute price indices using various Hedonic and multilateral methods, including Laspeyres, Paasche, Fisher, and HMTS (Hedonic Multilateral Time series re-estimation with splicing). The central function calculate_price_index() offers a unified interface for running these methods on structured datasets. This package is designed to support index construction workflows for real estate and other domains where quality-adjusted price comparisons over time are essential. The development of this package was funded by Eurostat and Statistics Netherlands (CBS), and carried out by Statistics Netherlands. The HMTS method implemented here is described in Ishaak, Ouwehand and Remøy (2024) <doi:10.1177/0282423X241246617>. For broader methodological context, see Eurostat (2013, ISBN:978-92-79-25984-5, <doi:10.2785/34007>).

Fits or generalized linear models either a regression with Autoregressive moving-average (ARMA) errors for time series data. The package makes it easy to incorporate constraints into the model's coefficients. The model is specified by an objective function (Gaussian, Binomial or Poisson) or an ARMA order (p,q), a vector of bound constraints for the coefficients (i.e beta1 > 0) and the possibility to incorporate restrictions among coefficients (i.e beta1 > beta2). The references of this packages are the same as stats package for glm() and arima() functions. See Brockwell, P. J. and Davis, R. A. (1996, ISBN-10: 9783319298528). For the different optimizers implemented, it is recommended to consult the documentation of the corresponding packages.

An interface to DifferentialEquations.jl <https://diffeq.sciml.ai/dev/> from the R programming language. It has unique high performance methods for solving ordinary differential equations (ODE), stochastic differential equations (SDE), delay differential equations (DDE), differential-algebraic equations (DAE), and more. Much of the functionality, including features like adaptive time stepping in SDEs, are unique and allow for multiple orders of magnitude speedup over more common methods. Supports GPUs, with support for CUDA (NVIDIA), AMD GPUs, Intel oneAPI GPUs, and Apple's Metal (M-series chip GPUs). diffeqr attaches an R interface onto the package, allowing seamless use of this tooling by R users. For more information, see Rackauckas and Nie (2017) <doi:10.5334/jors.151>.

Converts TXT and XML data curated by the United States Patent and Trademark Office (USPTO). Allows conversion of bulk data after downloading directly from the USPTO bulk data website, eliminating need for users to wrangle multiple data formats to get large patent databases in tidy, rectangular format. Data details can be found on the USPTO website <https://bulkdata.uspto.gov/>. Currently, all 3 formats: 1. TXT data (1976-2001); 2. XML format 1 data (2002-2004); and 3. XML format 2 data (2005-current) can be converted to rectangular, CSV format. Relevant literature that uses data from USPTO includes Wada (2020) <doi:10.1007/s11192-020-03674-4> and Plaza & Albert (2008) <doi:10.1007/s11192-007-1763-3>.

This package provides raw files recorded on different Liquid Chromatography Mass Spectrometry (LC-MS) instruments. All included MS instruments are manufactured by Thermo Fisher Scientific and belong to the Orbitrap Tribrid or Q Exactive Orbitrap family of instruments. Despite their common origin and shared hardware components, e.g., Orbitrap mass analyser, the above instruments tend to write data in different "dialects" in a shared binary file format (.raw). The intention behind tartare is to provide complex but slim real-world files that can be used to make code robust with respect to this diversity. In other words, it is intended for enhanced unit testing. The package is considered to be used with the rawrr package and the Spectra MsBackends.

For spatial data analysis; provides exploratory spatial analysis tools, spatial regression, spatial econometric, and disease mapping models, model diagnostics, and special methods for inference with small area survey data (e.g., the America Community Survey (ACS)) and censored population health monitoring data. Models are pre-specified using the Stan programming language, a platform for Bayesian inference using Markov chain Monte Carlo (MCMC). References: Carpenter et al. (2017) <doi:10.18637/jss.v076.i01>; Donegan (2021) <doi:10.31219/osf.io/3ey65>; Donegan (2022) <doi:10.21105/joss.04716>; Donegan, Chun and Hughes (2020) <doi:10.1016/j.spasta.2020.100450>; Donegan, Chun and Griffith (2021) <doi:10.3390/ijerph18136856>; Morris et al. (2019) <doi:10.1016/j.sste.2019.100301>.

This package provides a collection of functions for estimating spatial and spatio-temporal regression models. Moran eigenvectors are used as spatial basis functions to efficiently approximate spatially dependent Gaussian processes (i.e., random effects eigenvector spatial filtering; see Murakami and Griffith 2015 <doi: 10.1007/s10109-015-0213-7>). The implemented models include linear regression with residual spatial dependence, spatially/spatio-temporally varying coefficient models (Murakami et al., 2017, 2024; <doi:10.1016/j.spasta.2016.12.001>,<doi:10.48550/arXiv.2410.07229>), spatially filtered unconditional quantile regression (Murakami and Seya, 2019 <doi:10.1002/env.2556>), Gaussian and non-Gaussian spatial mixed models through compositionally-warping (Murakami et al. 2021, <doi:10.1016/j.spasta.2021.100520>).

SEM Trees and SEM Forests -- an extension of model-based decision trees and forests to Structural Equation Models (SEM). SEM trees hierarchically split empirical data into homogeneous groups each sharing similar data patterns with respect to a SEM by recursively selecting optimal predictors of these differences. SEM forests are an extension of SEM trees. They are ensembles of SEM trees each built on a random sample of the original data. By aggregating over a forest, we obtain measures of variable importance that are more robust than measures from single trees. A description of the method was published by Brandmaier, von Oertzen, McArdle, & Lindenberger (2013) <doi:10.1037/a0030001> and Arnold, Voelkle, & Brandmaier (2020) <doi:10.3389/fpsyg.2020.564403>.

This package provides functions for building cognitive maps based on qualitative data. Inputs are textual sources (articles, transcription of qualitative interviews of agents,...). These sources have been coded using relations and are linked to (i) a table describing the variables (or concepts) used for the coding and (ii) a table describing the sources (typology of agents, ...). Main outputs are Individual Cognitive Maps (ICM), Social Cognitive Maps (all sources or group of sources) and a list of quotes linked to relations. This package is linked to the work done during the PhD of Frederic M. Vanwindekens (CRA-W / UCL) hold the 13 of May 2014 at University of Louvain in collaboration with the Walloon Agricultural Research Centre (project MIMOSA, MOERMAN fund).

"Evolutionary Virtual Education" - evolved - provides multiple tools to help educators (especially at the graduate level or in advanced undergraduate level courses) apply inquiry-based learning in general evolution classes. In particular, the tools provided include functions that simulate evolutionary processes (e.g., genetic drift, natural selection within a single locus) or concepts (e.g. Hardy-Weinberg equilibrium, phylogenetic distribution of traits). More than only simulating, the package also provides tools for students to analyze (e.g., measuring, testing, visualizing) datasets with characteristics that are common to many fields related to evolutionary biology. Importantly, the package is heavily oriented towards providing tools for inquiry-based learning - where students follow scientific practices to actively construct knowledge. For additional details, see package's vignettes.

Deconvolution of thermal decay curves allows you to quantify proportions of biomass components in plant litter. Thermal decay curves derived from thermogravimetric analysis (TGA) are imported, modified, and then modelled in a three- or four- part mixture model using the Fraser-Suzuki function. The output is estimates for weights of pseudo-components corresponding to hemicellulose, cellulose, and lignin. For more information see: Müller-Hagedorn, M. and Bockhorn, H. (2007) <doi:10.1016/j.jaap.2006.12.008>, à rfão, J. J. M. and Figueiredo, J. L. (2001) <doi:10.1016/S0040-6031(01)00634-7>, and Yang, H. and Yan, R. and Chen, H. and Zheng, C. and Lee, D. H. and Liang, D. T. (2006) <doi:10.1021/ef0580117>.

Genotyping arrays enable the direct measurement of an individuals genotype at thousands of markers. plinkQC facilitates genotype quality control for genetic association studies as described by Anderson and colleagues (2010) <doi:10.1038/nprot.2010.116>. It makes PLINK basic statistics (e.g. missing genotyping rates per individual, allele frequencies per genetic marker) and relationship functions accessible from R and generates a per-individual and per-marker quality control report. Individuals and markers that fail the quality control can subsequently be removed to generate a new, clean dataset. Removal of individuals based on relationship status is optimised to retain as many individuals as possible in the study. Additionally, there is a trained classifier to predict genomic ancestry of human samples.

This package provides a framework of tools to summarise, visualise, and explore longitudinal data. It builds upon the tidy time series data frames used in the tsibble package, and is designed to integrate within the tidyverse', and tidyverts (for time series) ecosystems. The methods implemented include calculating features for understanding longitudinal data, including calculating summary statistics such as quantiles, medians, and numeric ranges, sampling individual series, identifying individual series representative of a group, and extending the facet system in ggplot2 to facilitate exploration of samples of data. These methods are fully described in the paper "brolgar: An R package to Browse Over Longitudinal Data Graphically and Analytically in R", Nicholas Tierney, Dianne Cook, Tania Prvan (2020) <doi:10.32614/RJ-2022-023>.

The main purpose of this package is to make it easy for userR's to interact with jMetrik an open source application for psychometric analysis. For example it allows useR's to write data frames to file in a format that can be used by jMetrik'. It also allows useR's to read *.jmetrik files (e.g. output from an analysis) for follow-up analysis in R. The *.jmetrik format is a flat file that includes a multiline header and the data as comma separated values. The header includes metadata about the file and one row per variable with the following information in each row: variable name, data type, item scoring, special data codes, and variable label.

In the generalized Roy model, the marginal treatment effect (MTE) can be used as a building block for constructing conventional causal parameters such as the average treatment effect (ATE) and the average treatment effect on the treated (ATT). Given a treatment selection equation and an outcome equation, the function mte() estimates the MTE via the semiparametric local instrumental variables method or the normal selection model. The function mte_at() evaluates MTE at different values of the latent resistance u with a given X = x, and the function mte_tilde_at() evaluates MTE projected onto the estimated propensity score. The function ace() estimates population-level average causal effects such as ATE, ATT, or the marginal policy relevant treatment effect.

Identification of the most appropriate pharmacotherapy for each patient based on genomic alterations is a major challenge in personalized oncology. PANACEA is a collection of personalized anti-cancer drug prioritization approaches utilizing network methods. The methods utilize personalized "driverness" scores from driveR to rank drugs, mapping these onto a protein-protein interaction network. The "distance-based" method scores each drug based on these scores and distances between drugs and genes to rank given drugs. The "RWR" method propagates these scores via a random-walk with restart framework to rank the drugs. The methods are described in detail in Ulgen E, Ozisik O, Sezerman OU. 2023. PANACEA: network-based methods for pharmacotherapy prioritization in personalized oncology. Bioinformatics <doi:10.1093/bioinformatics/btad022>.

Cell differentiation processes are achieved through a continuum of hierarchical intermediate cell-states that might be captured by single-cell RNA seq. Existing computational approaches for the assessment of cell-state hierarchies from single-cell data might be formalized under a general workflow composed of i) a metric to assess cell-to-cell similarities (combined or not with a dimensionality reduction step), and ii) a graph-building algorithm (optionally making use of a cells-clustering step). Sincell R package implements a methodological toolbox allowing flexible workflows under such framework. Furthermore, Sincell contributes new algorithms to provide cell-state hierarchies with statistical support while accounting for stochastic factors in single-cell RNA seq. Graphical representations and functional association tests are provided to interpret hierarchies.

While data from randomized experiments remain the gold standard for causal inference, estimation of causal estimands from observational data is possible through various confounding adjustment methods. However, the challenge of unmeasured confounding remains a concern in causal inference, where failure to account for unmeasured confounders can lead to biased estimates of causal estimands. Sensitivity analysis within the framework of causal inference can help adjust for possible unmeasured confounding. In `causens`, three main methods are implemented: adjustment via sensitivity functions (Brumback, Hernán, Haneuse, and Robins (2004) <doi:10.1002/sim.1657> and Li, Shen, Wu, and Li (2011) <doi:10.1093/aje/kwr096>), Bayesian parametric modelling and Monte Carlo approaches (McCandless, Lawrence C and Gustafson, Paul (2017) <doi:10.1002/sim.7298>).

Gumbel distribution functions (De Haan L. (2007) <doi:10.1007/0-387-34471-3>) implemented with the techniques of automatic differentiation (Griewank A. (2008) <isbn:978-0-89871-659-7>). With this tool, a user should be able to quickly model extreme events for which the Gumbel distribution is the domain of attraction. The package makes available the density function, the distribution function the quantile function and a random generating function. In addition, it supports gradient functions. The package combines Adept (C++ templated automatic differentiation) (Hogan R. (2017) <doi:10.5281/zenodo.1004730>) and Eigen (templated matrix-vector library) for fast computations of both objective functions and exact gradients. It relies on RcppEigen for easy access to Eigen and bindings to R.