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Links tonathanieltwarog

braidrm - Fitting Combined Action with the BRAID Response Surface Model

Contains functions for evaluating, analyzing, and fitting combined action dose response surfaces with the Bivariate Response to Additive Interacting Doses (BRAID) model of combined action, along with tools for implementing other combination analysis methods, including Bliss independence, combination index, and additional response surface methods.

Last updated

5.82 score 1 stars 1 dependents 37 scripts 598 downloads

braidReports - Visualize Combined Action Response Surfaces and Report BRAID Analyses

Provides functions to visualize combined action data in 'ggplot2'. Also provides functions for producing full BRAID analysis reports with custom layouts and aesthetics, using the BRAID method originally described in Twarog et al. (2016) <doi:10.1038/srep25523>.

Last updated

4.65 score 1 stars 15 scripts 540 downloads

basicdrm - Fit Hill Dose Response Models

Evaluate, fit, and analyze Hill dose response models (Goutelle et al., 2008 <doi:10.1111/j.1472-8206.2008.00633.x>), also sometimes referred to as four-parameter log-logistic models. Includes tools to invert Hill models, select models based on the Akaike information criterion (Akaike, 1974 <doi:10.1109/TAC.1974.1100705>) or Bayesian information criterion (Schwarz, 1978 <https://www.jstor.org/stable/2958889>), and construct bootstrapped confidence intervals both on the Hill model parameters and values derived from the Hill model parameters.

Last updated

2.48 score 2 dependents 1 scripts 293 downloads

rtms - R Toolkit for Mass Spectrometry

Quickly imports, processes, analyzes, and visualizes mass-spectrometric data. Includes functions for easily extracting specific data and measurements from large (multi-gigabyte) raw Bruker data files, as well as a set of S3 object classes for manipulating and measuring mass spectrometric peaks and plotting peaks and spectra using the 'ggplot2' package.

Last updated

1.48 score 1 dependents 2 scripts 178 downloads

rtmsEcho - Extract and Analyze EchoMS Data from Sciex Wiff Files

Read raw and processed data from acoustic ejection mass spectrometry (AEMS) files produced by the Sciex EchoMS instrument. Includes functions to create interactive reader objects, extract raw intensity measurements, mass spectra, and fully-processed mass-transition intensity areas. Methods for data processing and analysis are described in Rimmer et al. (2025) <doi:10.1021/acs.analchem.5c03730>. Supports both multiple reaction monitoring (MRM) and full-scan (neutral loss and precursor ion) data formats.

Last updated

1.00 score 123 downloads