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Updates tutorials
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tutorials/advanced_joint-fit_pd-neut-xray-cwl_PbSO4.py

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# %% [markdown]
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# # Standard Diffraction: PbSO4, NPD+XRD
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# # Structure Refinement: PbSO4, NPD + XRD
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#
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# This example demonstrates a flexible and advanced use of the
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# EasyDiffraction library by explicitly creating and configuring objects.
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# It is intended for users who are comfortable with Python programming and are
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# interested in creating custom workflows.
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# This example demonstrates a more advanced use of the EasyDiffraction library
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# by explicitly creating and configuring sample models and experiments
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# before adding them to a project. It could be more suitable for users who are
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# interested in creating custom workflows. This tutorial provides minimal
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# explanation and is intended for users already familiar with EasyDiffraction.
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#
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# The tutorial covers a Rietveld refinement of PbSO4 crystal structure based
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# on the joint fit of both X-ray and neutron diffraction data.
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# %% [markdown]
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# ## Import Library
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# #### Set Background
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# %% [markdown]
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# Select background type.
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# Select the background type.
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# %%
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expt1.background_type = 'line-segment'
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# %% [markdown]
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# ## Define Project
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#
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# The project object is used to manage the sample model, experiment, and
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# analysis.
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# The project object is used to manage sample models, experiments, and analysis.
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#
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# ### Create Project
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# %% [markdown]
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# ## Analysis
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#
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# This section shows the analysis process, including how to set up
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# calculation and fitting engines.
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# This section outlines the analysis process, including how to configure calculation and fitting engines.
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#
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# ### Set Calculator
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# %% [markdown]
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# ### Set Fitting Parameters
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#
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# Set sample model parameters to be refined.
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# Set sample model parameters to be optimized.
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# %%
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model.cell.length_a.free = True
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model.cell.length_b.free = True
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model.cell.length_c.free = True
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# %% [markdown]
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# Set experiment parameters to be refined.
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# Set experiment parameters to be optimized.
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# %%
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expt1.linked_phases['pbso4'].scale.free = True

tutorials/basic_single-fit_pd-neut-cwl_LBCO-HRPT.py

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# %% [markdown]
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# # Standard Diffraction: LBCO, CWL NPD
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# # Structure Refinement: LBCO, HRPT
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#
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# This example demonstrates how to use the EasyDiffraction API in a
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# simplified, user-friendly manner that closely follows the GUI workflow. It is
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# intended for users with minimal programming experience who want to learn how
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# to perform standard crystal structure fitting using diffraction data. This
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# script covers creating a project, adding sample models and experiments,
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# performing analysis, and refining parameters.
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# simplified, user-friendly manner that closely follows the GUI workflow for a
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# Rietveld refinement of La0.5Ba0.5CoO3 crystal structure using constant
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# wavelength neutron powder diffraction data from HRPT at PSI.
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#
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# It is intended for users with minimal programming experience who want to
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# learn how to perform standard crystal structure fitting using diffraction
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# data. This script covers creating a project, adding sample models and
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# experiments, performing analysis, and refining parameters.
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#
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# Only a single import of `easydiffraction` is required, and all operations are
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# performed through high-level components of the `project` object, such as

tutorials/advanced_single-fit_pd-neut-cwl_HS-HRPT.py renamed to tutorials/cryst-struct_pd-neut-cwl_HS-HRPT.py

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# %% [markdown]
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# # Standard Diffraction: HS, CWL NPD
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# # Structure Refinement: HS, HRPT
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#
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# This example demonstrates standard diffraction analysis of HS using neutron
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# powder diffraction data collected in constant wavelength mode from HRPT at
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# PSI.
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# This example demonstrates a Rietveld refinement of HS crystal structure
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# using constant wavelength neutron powder diffraction data from HRPT at PSI.
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# %% [markdown]
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# ## Import Library

tutorials/advanced_single-fit_pd-neut-tof_NCAF-WISH.py renamed to tutorials/cryst-struct_pd-neut-tof_NCAF-WISH.py

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# %% [markdown]
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# # Standard Diffraction: NCAF, TOF NPD
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# # Structure Refinement: NCAF, WISH
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#
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# This example demonstrates standard diffraction analysis of Na2Ca3Al2F14 using
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# neutron powder diffraction data collected in time-of-flight mode from WISH at
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# This example demonstrates a Rietveld refinement of Na2Ca3Al2F14 crystal
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# structure using time-of-flight neutron powder diffraction data from WISH at
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# ISIS.
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#
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# Only a single dataset from detector banks 5 & 6 is used here.
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# Temporarily, only a single dataset from detector banks 5 & 6 is used here.
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# %% [markdown]
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# ## Import Library

tutorials/advanced_single-fit_pd-neut-tof_Si-SEPD.py renamed to tutorials/cryst-struct_pd-neut-tof_Si-SEPD.py

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# %% [markdown]
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# # Standard Diffraction: Si, TOF NPD
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# # Structure Refinement: Si, SEPD
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#
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# This example demonstrates standard diffraction analysis of Si using neutron
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# powder diffraction data collected in time-of-flight mode from SEPD at
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# Argone.
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# This example demonstrates a Rietveld refinement of Si crystal structure using
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# time-of-flight neutron powder diffraction data from SEPD at Argonne.
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# %% [markdown]
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# ## Import Library

tutorials/pdf_pd-neut-cwl_Ni.py

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# # Pair Distribution Function: Ni, NPD
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#
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# This example demonstrates a pair distribution function (PDF) analysis of Ni,
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# based on data collected from a powder neutron constant wavelength diffraction
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# based on data collected from a constant wavelength neutron powder diffraction
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# experiment.
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#
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# The dataset is taken from:

tutorials/pdf_pd-neut-tof_Si-NOMAD.py

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# # Pair Distribution Function: Si, NPD
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#
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# This example demonstrates a pair distribution function (PDF) analysis of Si,
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# based on data collected from a powder neutron time-of-flight diffraction
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# experiment from NOMAD at SNS.
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# based on data collected from a time-of-flight neutron powder diffraction
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# experiment at NOMAD at SNS.
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# %% [markdown]
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# ## Import Library

tutorials/pdf_pd-xray_NaCl.py

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# %% [markdown]
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# # Pair Distribution Function: NaCl, XRD
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#
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# This example demonstrates a pair distribution function (PDF) analysis of Ni,
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# based on data collected from a powder X-ray diffraction experiment.
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# This example demonstrates a pair distribution function (PDF) analysis of
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# NaCl, based on data collected from an X-ray powder diffraction experiment.
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#
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# The dataset is taken from:
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# https://github.com/diffpy/add2019-diffpy-cmi/tree/master

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