paws.core.operations.PROCESSING.SAXS package

Submodules

paws.core.operations.PROCESSING.SAXS.PostProcessTimeSeries module

class paws.core.operations.PROCESSING.SAXS.PostProcessTimeSeries.PostProcessTimeSeries[source]

Bases: paws.core.operations.Operation.Operation

Re-fit a set of SAXS spectra chronologically, to refine results.

run()[source]

Operation.run() should use the Operation.inputs and set values for all of the items in Operation.outputs.

paws.core.operations.PROCESSING.SAXS.SpectrumClassifier module

class paws.core.operations.PROCESSING.SAXS.SpectrumClassifier.SpectrumClassifier[source]

Bases: paws.core.operations.Operation.Operation

Identifies scatterer populations from features of SAXS spectra.

run()[source]

Operation.run() should use the Operation.inputs and set values for all of the items in Operation.outputs.

paws.core.operations.PROCESSING.SAXS.SpectrumFit module

class paws.core.operations.PROCESSING.SAXS.SpectrumFit.SpectrumFit[source]

Bases: paws.core.operations.Operation.Operation

Fit scattering equation parameters to measured data.

Use a measured SAXS spectrum (I(q) vs. q), to optimize the parameters of a theoretical SAXS spectrum for one or several populations of scatterers. Works by minimizing an objective function that compares the measured spectrum against the theoretical result.

run()[source]

Operation.run() should use the Operation.inputs and set values for all of the items in Operation.outputs.

paws.core.operations.PROCESSING.SAXS.SpectrumMCAnneal module

class paws.core.operations.PROCESSING.SAXS.SpectrumMCAnneal.SpectrumMCAnneal[source]

Bases: paws.core.operations.Operation.Operation

Anneal SAXS fitting parameters by Metropolis-Hastings Monte Carlo.

This Operation explores the space of parameters for a SAXS intensity equation, given some measured data. It is useful for refining optimizations that tend to get stuck in local minima.

run()[source]

Operation.run() should use the Operation.inputs and set values for all of the items in Operation.outputs.

paws.core.operations.PROCESSING.SAXS.SpectrumParameterization module

class paws.core.operations.PROCESSING.SAXS.SpectrumParameterization.SpectrumParameterization[source]

Bases: paws.core.operations.Operation.Operation

Determine approximate parameterization for a SAXS spectrum.

Any preprocessing (background subtraction, smoothing, and any other corrections or cleaning) should be performed beforehand. The algorithm for guessing parameters for the size distributions of spherical nanoparticles was developed and originally contributed by Amanda Fournier.

run()[source]

Operation.run() should use the Operation.inputs and set values for all of the items in Operation.outputs.

paws.core.operations.PROCESSING.SAXS.SpectrumProfiler module

class paws.core.operations.PROCESSING.SAXS.SpectrumProfiler.SpectrumProfiler[source]

Bases: paws.core.operations.Operation.Operation

Profile a SAXS spectrum and return some numerical metrics.

This operation profiles a SAXS spectrum (I(q) vs. q) by taking various scalar quantities from the data. This Operation is somewhat robust for noisy data, but any preprocessing (background subtraction, smoothing, or other cleaning) should be performed beforehand.

run()[source]

Operation.run() should use the Operation.inputs and set values for all of the items in Operation.outputs.

Module contents