neutronpy
Reference
Module Table of Contents
neutronpy package
Members
Submodules
Module contents
Indices and tables
neutronpy
neutronpy package
Members
Submodules
Module contents
neutronpy.constants module
neutronpy.constants.magnetic_ion_j
neutronpy.constants.periodic_table
neutronpy.constants.scattering_lengths
neutronpy.constants.symmetry
neutronpy.constants.JOULES_TO_MEV
neutronpy.constants.BOLTZMANN_IN_MEV_K
neutronpy.constants.N_A
neutronpy.crystal module
neutronpy.crystal.Lattice
neutronpy.crystal.MagneticFormFactor
neutronpy.crystal.Material
neutronpy.crystal.NuclearStructureFactor
neutronpy.crystal.Sample
neutronpy.crystal.SpaceGroup
neutronpy.functions module
neutronpy.functions.gaussian
neutronpy.functions.gaussian2d
neutronpy.functions.lorentzian
neutronpy.functions.voigt
neutronpy.functions.resolution
neutronpy.functions.gaussian_ring
neutronpy.gui module
neutronpy.gui.launch
neutronpy.instrument module
neutronpy.instrument.Instrument
neutronpy.instrument.GetTau
neutronpy.instrument.Monochromator
neutronpy.instrument.Analyzer
neutronpy.lsfit module
neutronpy.lsfit.Fitter
neutronpy.fileio module
neutronpy.fileio.detect_filetype
neutronpy.fileio.load_data
neutronpy.fileio.load_instrument
neutronpy.fileio.save_data
neutronpy.models module
neutronpy.models.simple_harmonic_oscillator
neutronpy.models.damped_harmonic_oscillator
neutronpy.models.acoustic_phonon_dispersion
neutronpy.models.ferromagnetic_disperion
neutronpy.models.antiferromagnetic_disperion
neutronpy.spurion module
neutronpy.spurion.aluminum
neutronpy package
Members
neutronpy.data.data.Data
neutronpy.energy.Energy
neutronpy.lsfit.Fitter
neutronpy.instrument.instrument.Instrument
neutronpy.crystal.lattice.Lattice
neutronpy.crystal.material.Material
neutronpy.crystal.sample.Sample
Submodules
neutronpy.constants module
neutronpy.crystal module
neutronpy.data module
neutronpy.energy module
neutronpy.fileio module
neutronpy.functions module
neutronpy.gui module
neutronpy.instrument module
neutronpy.lsfit module
neutronpy.models module
neutronpy.spurion module
Module contents
neutronpy.constants module
neutronpy.constants.magnetic_ion_j
neutronpy.constants.periodic_table
neutronpy.constants.scattering_lengths
neutronpy.constants.symmetry
neutronpy.constants.JOULES_TO_MEV
neutronpy.constants.BOLTZMANN_IN_MEV_K
neutronpy.constants.N_A
neutronpy.crystal module
neutronpy.crystal.Lattice
neutronpy.crystal.Lattice.a
neutronpy.crystal.Lattice.b
neutronpy.crystal.Lattice.c
neutronpy.crystal.Lattice.astar
neutronpy.crystal.Lattice.bstar
neutronpy.crystal.Lattice.cstar
neutronpy.crystal.Lattice.alpha
neutronpy.crystal.Lattice.beta
neutronpy.crystal.Lattice.gamma
neutronpy.crystal.Lattice.alpha_rad
neutronpy.crystal.Lattice.beta_rad
neutronpy.crystal.Lattice.gamma_rad
neutronpy.crystal.Lattice.alphastar
neutronpy.crystal.Lattice.betastar
neutronpy.crystal.Lattice.gammastar
neutronpy.crystal.Lattice.alphastar_rad
neutronpy.crystal.Lattice.betastar_rad
neutronpy.crystal.Lattice.gammastar_rad
neutronpy.crystal.Lattice.abg_rad
neutronpy.crystal.Lattice.reciprocal_abc
neutronpy.crystal.Lattice.reciprocal_abg
neutronpy.crystal.Lattice.reciprocal_abg_rad
neutronpy.crystal.Lattice.lattice_type
neutronpy.crystal.Lattice.volume
neutronpy.crystal.Lattice.reciprocal_volume
neutronpy.crystal.Lattice.G
neutronpy.crystal.Lattice.Gstar
neutronpy.crystal.Lattice.Bmatrix
neutronpy.crystal.Lattice.get_d_spacing
neutronpy.crystal.Lattice.get_q
neutronpy.crystal.Lattice.get_two_theta
neutronpy.crystal.Lattice.get_angle_between_planes
neutronpy.crystal.MagneticFormFactor
neutronpy.crystal.MagneticFormFactor.calc_mag_form_fac
neutronpy.crystal.Material
neutronpy.crystal.Material.volume
neutronpy.crystal.Material.total_scattering_cross_section
neutronpy.crystal.Material.a
neutronpy.crystal.Material.b
neutronpy.crystal.Material.c
neutronpy.crystal.Material.astar
neutronpy.crystal.Material.bstar
neutronpy.crystal.Material.cstar
neutronpy.crystal.Material.alpha
neutronpy.crystal.Material.beta
neutronpy.crystal.Material.gamma
neutronpy.crystal.Material.alpha_rad
neutronpy.crystal.Material.beta_rad
neutronpy.crystal.Material.gamma_rad
neutronpy.crystal.Material.alphastar
neutronpy.crystal.Material.betastar
neutronpy.crystal.Material.gammastar
neutronpy.crystal.Material.alphastar_rad
neutronpy.crystal.Material.betastar_rad
neutronpy.crystal.Material.gammastar_rad
neutronpy.crystal.Material.abg_rad
neutronpy.crystal.Material.reciprocal_abc
neutronpy.crystal.Material.reciprocal_abg
neutronpy.crystal.Material.reciprocal_abg_rad
neutronpy.crystal.Material.lattice_type
neutronpy.crystal.Material.volume
neutronpy.crystal.Material.reciprocal_volume
neutronpy.crystal.Material.G
neutronpy.crystal.Material.Gstar
neutronpy.crystal.Material.Bmatrix
neutronpy.crystal.Material.u
neutronpy.crystal.Material.v
neutronpy.crystal.Material.calc_nuc_str_fac
neutronpy.crystal.Material.calc_mag_str_fac
neutronpy.crystal.Material.calc_mag_int_vec
neutronpy.crystal.Material.calc_incoh_elas_xs
neutronpy.crystal.Material.calc_optimal_thickness
neutronpy.crystal.Material.plot_unit_cell
neutronpy.crystal.Material.get_angle_between_planes
neutronpy.crystal.Material.get_d_spacing
neutronpy.crystal.Material.get_q
neutronpy.crystal.Material.get_two_theta
neutronpy.crystal.Material.N_atoms
neutronpy.crystal.NuclearStructureFactor
neutronpy.crystal.NuclearStructureFactor.calc_nuc_str_fac
neutronpy.crystal.Sample
neutronpy.crystal.Sample.a
neutronpy.crystal.Sample.b
neutronpy.crystal.Sample.c
neutronpy.crystal.Sample.alpha
neutronpy.crystal.Sample.beta
neutronpy.crystal.Sample.gamma
neutronpy.crystal.Sample.u
neutronpy.crystal.Sample.v
neutronpy.crystal.Sample.astar
neutronpy.crystal.Sample.bstar
neutronpy.crystal.Sample.cstar
neutronpy.crystal.Sample.alpha_rad
neutronpy.crystal.Sample.beta_rad
neutronpy.crystal.Sample.gamma_rad
neutronpy.crystal.Sample.alphastar
neutronpy.crystal.Sample.betastar
neutronpy.crystal.Sample.gammastar
neutronpy.crystal.Sample.alphastar_rad
neutronpy.crystal.Sample.betastar_rad
neutronpy.crystal.Sample.gammastar_rad
neutronpy.crystal.Sample.abg_rad
neutronpy.crystal.Sample.reciprocal_abc
neutronpy.crystal.Sample.reciprocal_abg
neutronpy.crystal.Sample.reciprocal_abg_rad
neutronpy.crystal.Sample.lattice_type
neutronpy.crystal.Sample.volume
neutronpy.crystal.Sample.reciprocal_volume
neutronpy.crystal.Sample.G
neutronpy.crystal.Sample.Gstar
neutronpy.crystal.Sample.Bmatrix
neutronpy.crystal.Sample.get_d_spacing
neutronpy.crystal.Sample.get_q
neutronpy.crystal.Sample.get_two_theta
neutronpy.crystal.Sample.get_angle_between_planes
neutronpy.crystal.SpaceGroup
neutronpy.crystal.SpaceGroup.generators
neutronpy.crystal.SpaceGroup.string_generators
neutronpy.crystal.SpaceGroup.symbol
neutronpy.crystal.SpaceGroup.symmetrize_position
neutronpy.data module
neutronpy.data.Data
neutronpy.data.Data.h
neutronpy.data.Data.k
neutronpy.data.Data.l
neutronpy.data.Data.e
neutronpy.data.Data.temp
neutronpy.data.Data.intensity
neutronpy.data.Data.error
neutronpy.data.Data.detailed_balance_factor
neutronpy.data.Data.bin
neutronpy.data.Data.combine_data
neutronpy.data.Data.subtract_background
neutronpy.data.Data.integrate
neutronpy.data.Data.position
neutronpy.data.Data.width
neutronpy.data.Data.estimate_background
neutronpy.data.Data.subtract_background
neutronpy.data.Data.dynamic_susceptibility
neutronpy.data.Data.scattering_function
neutronpy.data.Data.plot
neutronpy.data.Analysis
neutronpy.data.Analysis.detailed_balance_factor
neutronpy.data.Analysis.integrate
neutronpy.data.Analysis.position
neutronpy.data.Analysis.width
neutronpy.data.Analysis.scattering_function
neutronpy.data.Analysis.dynamic_susceptibility
neutronpy.data.Analysis.estimate_background
neutronpy.data.Scans
neutronpy.data.Scans.waterfall
neutronpy.data.Scans.pcolor
neutronpy.data.Scans.func_col
neutronpy.data.Scans.min_col
neutronpy.data.Scans.max_col
neutronpy.energy module
neutronpy.energy.Energy
neutronpy.energy.Energy.energy
neutronpy.energy.Energy.wavelength
neutronpy.energy.Energy.wavevector
neutronpy.energy.Energy.velocity
neutronpy.energy.Energy.temperature
neutronpy.energy.Energy.frequency
neutronpy.energy.Energy.values
neutronpy.fileio module
neutronpy.fileio.detect_filetype
neutronpy.fileio.load_data
neutronpy.fileio.load_instrument
neutronpy.fileio.save_data
neutronpy.functions module
neutronpy.functions.gaussian
neutronpy.functions.gaussian2d
neutronpy.functions.lorentzian
neutronpy.functions.voigt
neutronpy.functions.resolution
neutronpy.functions.gaussian_ring
neutronpy.gui module
neutronpy.gui.launch
neutronpy.instrument module
neutronpy.instrument.Instrument
neutronpy.instrument.Instrument.method
neutronpy.instrument.Instrument.moncor
neutronpy.instrument.Instrument.mono
neutronpy.instrument.Instrument.ana
neutronpy.instrument.Instrument.hcol
neutronpy.instrument.Instrument.vcol
neutronpy.instrument.Instrument.arms
neutronpy.instrument.Instrument.efixed
neutronpy.instrument.Instrument.sample
neutronpy.instrument.Instrument.orient1
neutronpy.instrument.Instrument.orient2
neutronpy.instrument.Instrument.infin
neutronpy.instrument.Instrument.detector
neutronpy.instrument.Instrument.monitor
neutronpy.instrument.Instrument.Smooth
neutronpy.instrument.Instrument.guide
neutronpy.instrument.Instrument.calc_resolution
neutronpy.instrument.Instrument.calc_resolution_in_Q_coords
neutronpy.instrument.Instrument.calc_projections
neutronpy.instrument.Instrument.get_angles_and_Q
neutronpy.instrument.Instrument.get_lattice
neutronpy.instrument.Instrument.get_resolution_params
neutronpy.instrument.Instrument.plot_projections
neutronpy.instrument.Instrument.plot_ellipsoid
neutronpy.instrument.Instrument.plot_instrument
neutronpy.instrument.Instrument.resolution_convolution
neutronpy.instrument.Instrument.resolution_convolution_SMA
neutronpy.instrument.Instrument.plot_slice
neutronpy.instrument.Instrument.description_string
neutronpy.instrument.GetTau
neutronpy.instrument.Monochromator
neutronpy.instrument.Analyzer
neutronpy.lsfit module
neutronpy.lsfit.Fitter
neutronpy.lsfit.Fitter.parinfo
neutronpy.lsfit.Fitter.params0
neutronpy.lsfit.Fitter.data
neutronpy.lsfit.Fitter.ftol
neutronpy.lsfit.Fitter.xtol
neutronpy.lsfit.Fitter.gtol
neutronpy.lsfit.Fitter.epsfcn
neutronpy.lsfit.Fitter.stepfactor
neutronpy.lsfit.Fitter.covtol
neutronpy.lsfit.Fitter.maxiter
neutronpy.lsfit.Fitter.maxfev
neutronpy.lsfit.Fitter.params
neutronpy.lsfit.Fitter.xerror
neutronpy.lsfit.Fitter.covar
neutronpy.lsfit.Fitter.chi2_min
neutronpy.lsfit.Fitter.orignorm
neutronpy.lsfit.Fitter.rchi2_min
neutronpy.lsfit.Fitter.stderr
neutronpy.lsfit.Fitter.npar
neutronpy.lsfit.Fitter.nfree
neutronpy.lsfit.Fitter.npegged
neutronpy.lsfit.Fitter.dof
neutronpy.lsfit.Fitter.resid
neutronpy.lsfit.Fitter.niter
neutronpy.lsfit.Fitter.nfev
neutronpy.lsfit.Fitter.status
neutronpy.lsfit.Fitter.message
neutronpy.lsfit.Fitter.nofinitecheck
neutronpy.lsfit.Fitter.fit
neutronpy.models module
neutronpy.models.simple_harmonic_oscillator
neutronpy.models.damped_harmonic_oscillator
neutronpy.models.acoustic_phonon_dispersion
neutronpy.models.ferromagnetic_disperion
neutronpy.models.antiferromagnetic_disperion
neutronpy.spurion module
neutronpy.spurion.aluminum
Tutorials
Basic introduction to using NeutronPy
Importing and using NeutronPy
Handling Data
Converting Neutron Energy
Fitting Data
Calculating Triple-Axis Resolution
Using the Triple-Axis Resolution GUI
Performing Lattice Geometry Calculations
Performing Structure Factor Calculations
Finding Aluminum Spurion Positions
Data handling with the Data Class
Initialization: loading data
Load from file
Pass pre-loaded data
Data
properties
Intensity and error
Monitor normalization
Time normalization
The
Q
vector
Data
operations
Quick analysis
Binning data
Visualizing data
Basic plotting
Options
Least-squares fitting with the Fitter Class
Defining the problem
Initializing
Initial parameters and Constraints
Fitting
Results
Using the Resolution Calculation Graphical User Interface
Resolution calculation with Instrument Class
Instrument Configuration
Sample Configuration
Initializing the Instrument
Calculating the resolution
Resolution parameters
Resolution ellipses
Popovici calculation
Simple Plotting of Resolution Ellipses
Simple Plotting of the 3D Resolution Ellipsoid
Plotting of the Instrument setup for a given (Q,W)
Loading an Instrument and Sample from files
Form Factor calculation with the Material Class
Defining the Material
Initializing the Material class
Calculating the structure factor
Using space group to properly symmetrize
Notebook Examples
Resolution Convolution (4D) Example
Resolution Convolution (SMA) Example
FAQs
Installation
Anaconda Cloud - conda –
Recommended
Python Package Index - pip
Installation from Source
Troubleshooting
Development
Requirements
Write for Python 3
PEP8 Formatting
Documentation
Unit tests
Development Workflow
Fork and clone
Create a branch
Commit changes
Rebase on neutronpy
master
Create pull request
Cleanup
Development Environment
Versions
Roadmap
Milestones
Next Release
Future Features
Changelog
Contact
Bugs/ticket tracker
neutronpy
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neutronpy package
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neutronpy.lsfit.Fitter
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neutronpy.lsfit.Fitter.ftol
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neutronpy.lsfit.Fitter.ftol
¶
Fitter.
ftol
¶
Relative
\(\chi^2\)
convergence criterium. Default: 1e-10