All functions

BRD4_apo

This is data to be included in my package

BRD4_ibet

This is data to be included in my package

EFDR()

Function to calculate the corresponding expected False discovery rate (eFDR) for a given threshold

LXRalpha_compounds

This is data to be included in my package

LXRalpha_processed

This is data to be included in my package

chains() show(<RexParams>) show(<RexChain>) show(<RexSummary>) length(<RexChains>) length(<RexParams>) posteriorEstimates() Rex.quantiles() Rex.resolution() Rex.peptideError() Rex.globals() `[[`(<RexChains>,<ANY>,<ANY>) `[`(<RexChains>,<ANY>,<ANY>,<ANY>) `[`(<RexParams>,<ANY>,<ANY>,<ANY>) show(<RexChains>) show(<RexDifferential>) Rex.predictionError() Rex.estimates() Rex.probs() Rex.eFDR()

Infrastructure to to store and process MCMC results

TRE_dist

This is data to be included in my package

UnsupervisedCSA()

Funcition for performing unsupervised conformational signature analysis. This performs PCA on the TRE values of the RexDifferentialList and returns the PCA object and the TRE values in wide format.

cleanHDX()

Function that checks a hdx-ms dataset for correct formatting and will clean up the dataset if specified

cleanLong()

Helper function to clean up long vectors

coverageHeatmap()

Plot a coverage heatmap

doublelogisticFunction()

Implementation of double logistic function (a mixture of logistics)

error_prediction()

Function that computes errors between the predicted peptide values and the observed peptide values

initialiser()

Initialiser

logisticFunction()

Implementation of stretched logistic function

loglik()

loglikelihood function for current state of parameters

marginalEffect()

Function to sample uncertainty of the Uptake

maxUptakes()

Function that compuate the maximum uptakes for all sequences in the dataset

metropolisPi()

metroplis step for the mixing parameter

metropolisRate()

Metropolis step for the rate parameters

metropolisSigma()

Perform a metropolis step for the variance parameter

metropolisStretch()

Metroplis step for the stretch parameter

metropolisdRate()

Metropolis step for second rate parameter

out_lxr_compound_proccessed

This is data to be included in my package

define_color_function() hdx_to_pdb_colours() view_structure()

Function to set colour ranges for HDX data visualisation onto a pdb structure

plotButterfly()

Rex butterfly plots for differential analysis

plotLoadingSCSA()

Function to plot the loading of the supervised conformational signature analysis results

plotLogLikelihoods()

plot loglikelihoods across chains

plotPeptideError()

Plot Peptide level error rates

plotResidueResolution()

Plot Residue level error rates to identify points where modelling is poor

plotSCSA()

Function to plot the supervised conformational signature analysis results

plotSigma()

plot sigmas across chains

plotTREuncertainty()

Function to plot the uncertainty in the TRE values for different states e.g. ligands. Typically used to obtain uncertainty in the conformational landscape.

plotTREuncertaintyLoadings()

Function to plot the uncertainty in the loading in the conformational landscape. Typically used to obtain uncertainty in the conformational signatures.

plotTimeAveragedButterfly()

Rex time averaged butterfly plots for differential analysis

plotUCSA()

Function to plot the PCA results from the UnsupervisedCSA function

plotUptake()

Plot the uptake from the output of a Rex model from the uptakePredict function

plotUptakeUncertainty()

Function to plot the uncertainty of the Uptake

plotVolcano()

Rex volcano plots for differential analysis

prepareIndexes()

Function that prepares exchange indexes for a given sequence

processDifferential()

Functions for differential analysis of HDX-MS data

processTREuncertainty()

Function to obtain uncertainty estimates for the total relative error (TRE)

reversibleJumpBreakPointsAdd()

Reversible jump step for adding the breakpoints

reversibleJumpBreakPointsRemove()

Reversible jump step for removing the breakpoints

RexProcess()

proccess Rex results

rex() resolver()

residue-resolved HDX-MS data analysis using Rex

rex_lxr

This is data to be included in my package

sampleTREuncertainty()

Function to calculate the uncertainty in the TRE values by sampling the posterior distribution of the Rex parameters. Typically used to obtain uncertainty in the conformational signatures.

supervisedCSA()

Function to perform supervised conformational signature analysis. In this case the construction of the signatures using labels as part of the dimensionality reduction which are defined in labels. The type of the labels can be catagorical or continuous. The function returns the OPLS-DA object. The labels are allowed to contain "Unknown" values which are ignored in the analysis if the type is catagorical. If the type is continuous, the "Unknown" values should be recorded as NAs.

uptakeGuess()

uptakeGuess

uptakePredict()

Function that predict the uptake from the parameters of a Rex model