Reference Index¶
Classes
Represents a model. 

Represents a model parameter or a single parameter vector. 

Represents a penalty term of the objective function. 

Represents the results of a fit. 

Represents the uncertainty quantification of fit results. 
Functions
Fit the model(s) to the dataset(s) 

Create a multiresponse model from multiple individual models. 

Link parameters together in a model to create equality relationships between parameters. 

Create model whose response is a linear combination of multiple individual model responses. 

Create functional relationships between model parameters. 

Computes the discrete approximation to the derivative operators used as regularization operators. 

Selection of optimal regularization parameter based on a selection criterion. 

Estimate the noise level in a dataset. 

Generates a vector of white Gaussian (normal) noise 

Computes statistical quantities for the location, spread, and shape of a distance distribution, with or without their corresponding uncertainties. 

Phase correction of complexvalued data. 

Bootstrap analysis for uncertainty quantification 

Profile likelihood analysis for uncertainty quantification 

Separable nonlinear least squares (SNLLS) solver 

Fast nonnegative leastsquares (NNLS) solver. 

Nonnegative leastsquares (NNLS) via the CVXOPT package. 

Goodness of Fit statistics 
Dipolar EPR functions
Generate a dipolar EPR signal model. 

Construct penalties based on the distance distribution. 

Load file in BES3T format (Bruker EPR Standard for Spectrum Storage and Transfer) 

Compute the (multipathway) dipolar kernel operator. 

Computes the (multipathway) background function. 

Computes the FastFourier Transform (FFT) spectrum of the input signal V. 

Empirical distance range given a dipolar EPR experiment time axis 
Utility functions
Save/export an object to a 

Load a pickled object file 

Construct spherical grid over spherical angles based on input parameters. 

Compute the covariance matrix using Cholesky decomposition. 

Heteroscedasticity Consistent Covariance Matrix (HCCM) 

Finite difference Jacobian estimation 

Find the nearest positive semidefinite matrix 

Moving mean filter 

Overlap index 

DERSNR noise estimation 

Generate formatted table in string form 