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High-Throughput SPR Kinetics Analysis Software

This R package provides functions and a pipeline to analyze SPR data. It takes as input the sample information and the Carterra time series and produces a pdf with sensorgrams, fits, rate constants, Rmax, plots of residuals and standard errors of parameter estimates. It also produces a .csv file with the relevant parameters and standard errors.

Current features include:

  • 1:1 binding model
  • Options for local or global Rmax fitting
  • Automated concentration range determination
  • Automated dissociation window approximation
  • Automated bulkshift determination

The motivations for developing this package are

  • to provide an open-source tool for analyzing high-throughput SPR kinetic data
  • to automate some of the steps in analysis, such as determining the length of dissociation window and concentration range to include in fits and whether or not to include bulk-shift in fitting.
  • to provide a platform for further development of multivalent binding kinetics models, such as bivalent analyte, parallel binding and more. These models are currently not an option in commercial software when using non-regenerative SPR data.

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Version

Install

install.packages('htrSPRanalysis')

Monthly Downloads

83

Version

0.1.0

License

GPL (>= 3)

Maintainer

Janice McCarthy Developer

Last Published

August 26th, 2024

Functions in htrSPRanalysis (0.1.0)

get_fits

Get fits of all selected sensorgrams as indicated in the sample information.
create_csv

Create csv file with all fit parameters.
get_plots_before_baseline

Plot all raw data that has been selected to be processed (via the Incl. column in the sample information). No adjustments are made to the data.
create_pdf

Create pdf file with sensorgrams with fitted curves, residuals, table of fit parameters, and response curves.
process_input

Process user input files and obtain options for fitting.
get_fitted_plots

Plot fitted sensorgras and raw data.
get_rc_plots

Plot response curve. Average RU versus log10 of concentration. Color coded for concentrations selected for fitting.
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