Showing 6 of total 6 results (show query)
jatanrt
eprscope:Processing and Analysis of Electron Paramagnetic Resonance Data and Spectra in Chemistry
Processing, analysis and plottting of Electron Paramagnetic Resonance (EPR) spectra in chemistry. Even though the package is mainly focused on continuous wave (CW) EPR/ENDOR, many functions may be also used for the integrated forms of 1D PULSED EPR spectra. It is able to find the most important spectral characteristics like g-factor, linewidth, maximum of derivative or integral intensities and single/double integrals. This is especially important in spectral (time) series consisting of many EPR spectra like during variable temperature experiments, electrochemical or photochemical radical generation and/or decay. Package also enables processing of data/spectra for the analytical (quantitative) purposes. Namely, how many radicals or paramagnetic centers can be found in the analyte/sample. The goal is to evaluate rate constants, considering different kinetic models, to describe the radical reactions. The key feature of the package resides in processing of the universal ASCII text formats (such as '.txt', '.csv' or '.asc') from scratch. No proprietary formats are used (except the MATLAB EasySpin outputs) and in such respect the package is in accordance with the FAIR data principles. Upon 'reading' (also providing automatic procedures for the most common EPR spectrometers) the spectral data are transformed into the universal R 'data frame' format. Subsequently, the EPR spectra can be visualized and are fully consistent either with the 'ggplot2' package or with the interactive formats based on 'plotly'. Additionally, simulations and fitting of the isotropic EPR spectra are also included in the package. Advanced simulation parameters provided by the MATLAB-EasySpin toolbox and results from the quantum chemical calculations like g-factor and hyperfine splitting/coupling constants (a/A) can be compared and summarized in table-format in order to analyze the EPR spectra by the most effective way.
Maintained by Ján Tarábek. Last updated 18 hours ago.
chemistrydata-analysisdata-visualizationepresrfittingoptimizationprogramming-languagereproducible-researchscientific-plottingspectroscopyopenjdk
11.0 match 4.77 score 7 scripts
poissonconsulting
mcmcr:Manipulate MCMC Samples
Functions and classes to store, manipulate and summarise Monte Carlo Markov Chain (MCMC) samples. For more information see Brooks et al. (2011) <isbn:978-1-4200-7941-8>.
Maintained by Joe Thorley. Last updated 2 months ago.
3.3 match 17 stars 7.66 score 111 scripts 10 dependents
clementcalenge
adehabitatHS:Analysis of Habitat Selection by Animals
A collection of tools for the analysis of habitat selection.
Maintained by Clement Calenge. Last updated 7 months ago.
4.5 match 1 stars 4.77 score 51 scriptspoissonconsulting
universals:S3 Generics for Bayesian Analyses
Provides S3 generic methods and some default implementations for Bayesian analyses that generate Markov Chain Monte Carlo (MCMC) samples. The purpose of 'universals' is to reduce package dependencies and conflicts. The 'nlist' package implements many of the methods for its 'nlist' class.
Maintained by Joe Thorley. Last updated 3 months ago.
3.3 match 4 stars 6.37 score 1 scripts 20 dependentspoissonconsulting
bboutools:Boreal Caribou Survival, Recruitment and Population Growth
Estimates annual survival, recruitment and population growth for boreal caribou populations using Bayesian and Maximum Likelihood models with fixed and random effects.
Maintained by Seb Dalgarno. Last updated 2 months ago.
3.3 match 1 stars 5.11 score 13 scripts 2 dependents
lbelzile
VaRES:Computes Value at Risk and Expected Shortfall for over 100 Parametric Distributions
Computes Value at risk and expected shortfall, two most popular measures of financial risk, for over one hundred parametric distributions, including all commonly known distributions. Also computed are the corresponding probability density function and cumulative distribution function. See Chan, Nadarajah and Afuecheta (2015) <doi:10.1080/03610918.2014.944658> for more details.
Maintained by Leo Belzile. Last updated 2 years ago.
3.0 match 1 stars 4.57 score 123 scripts 2 dependents