@@ -17,68 +17,63 @@ The tutorials are organized into the following categories.
1717
1818## Getting Started
1919
20- - [ LBCO ` quick ` CIF] ( quick_from-cif_pd-neut-cwl_LBCO-HRPT.ipynb ) – A minimal
21- example intended as a quick reference for users already familiar with the
22- EasyDiffraction API or who want to see how Rietveld refinement of the
23- La0.5Ba0.5CoO3 crystal structure can be performed when both the sample model
24- and experiment are loaded from CIF files. Data collected from constant
25- wavelength neutron powder diffraction at HRPT at PSI.
26- - [ LBCO ` quick ` ` code ` ] ( quick_from-code_pd-neut-cwl_LBCO-HRPT.ipynb ) – A minimal
27- example intended as a quick reference for users already familiar with the
28- EasyDiffraction API or who want to see an example refinement when both the
29- sample model and experiment are defined directly in code. This tutorial covers
30- a Rietveld refinement of the La0.5Ba0.5CoO3 crystal structure using constant
31- wavelength neutron powder diffraction data from HRPT at PSI.
32- - [ LBCO ` basic ` ] ( basic_single-fit_pd-neut-cwl_LBCO-HRPT.ipynb ) – Demonstrates
33- the use of the EasyDiffraction API in a simplified, user-friendly manner that
34- closely follows the GUI workflow for a Rietveld refinement of the
20+ - [ LBCO ` quick ` CIF] ( ed-1.ipynb ) – A minimal example intended as a quick
21+ reference for users already familiar with the EasyDiffraction API or who want
22+ to see how Rietveld refinement of the La0.5Ba0.5CoO3 crystal structure can be
23+ performed when both the sample model and experiment are loaded from CIF files.
24+ Data collected from constant wavelength neutron powder diffraction at HRPT at
25+ PSI.
26+ - [ LBCO ` quick ` ` code ` ] ( ed-2.ipynb ) – A minimal example intended as a quick
27+ reference for users already familiar with the EasyDiffraction API or who want
28+ to see an example refinement when both the sample model and experiment are
29+ defined directly in code. This tutorial covers a Rietveld refinement of the
3530 La0.5Ba0.5CoO3 crystal structure using constant wavelength neutron powder
36- diffraction data from HRPT at PSI. This tutorial provides a full explanation
37- of the workflow with detailed comments and descriptions of every step, making
38- it suitable for users who are new to EasyDiffraction or those who prefer a
39- more guided approach.
40- - [ PbSO4 ` advanced ` ] ( advanced_joint-fit_pd-neut-xray-cwl_PbSO4.ipynb ) –
41- Demonstrates a more flexible and advanced approach to using the
42- EasyDiffraction library, intended for users who are more comfortable with
43- Python programming. This tutorial covers a Rietveld refinement of the PbSO4
44- crystal structure based on the joint fit of both X-ray and neutron diffraction
45- data.
31+ diffraction data from HRPT at PSI.
32+ - [ LBCO ` basic ` ] ( ed-3.ipynb ) – Demonstrates the use of the EasyDiffraction API
33+ in a simplified, user-friendly manner that closely follows the GUI workflow
34+ for a Rietveld refinement of the La0.5Ba0.5CoO3 crystal structure using
35+ constant wavelength neutron powder diffraction data from HRPT at PSI. This
36+ tutorial provides a full explanation of the workflow with detailed comments
37+ and descriptions of every step, making it suitable for users who are new to
38+ EasyDiffraction or those who prefer a more guided approach.
39+ - [ PbSO4 ` advanced ` ] ( ed-4.ipynb ) – Demonstrates a more flexible and advanced
40+ approach to using the EasyDiffraction library, intended for users who are more
41+ comfortable with Python programming. This tutorial covers a Rietveld
42+ refinement of the PbSO4 crystal structure based on the joint fit of both X-ray
43+ and neutron diffraction data.
4644
4745## Standard Diffraction
4846
49- - [ Co2SiO4 ` pd-neut-cwl ` ] ( cryst-struct_pd-neut-cwl_HS-HRPT.ipynb ) – Demonstrates
50- a Rietveld refinement of the Co2SiO4 crystal structure using constant
51- wavelength neutron powder diffraction data from D20 at ILL.
52- - [ HS ` pd-neut-cwl ` ] ( cryst-struct_pd-neut-cwl_HS-HRPT.ipynb ) – Demonstrates a
53- Rietveld refinement of the HS crystal structure using constant wavelength
54- neutron powder diffraction data from HRPT at PSI.
55- - [ Si ` pd-neut-tof ` ] ( cryst-struct_pd-neut-tof_Si-SEPD.ipynb ) – Demonstrates a
56- Rietveld refinement of the Si crystal structure using time-of-flight neutron
57- powder diffraction data from SEPD at Argonne.
58- - [ NCAF ` pd-neut-tof ` ] ( cryst-struct_pd-neut-tof_multidata_NCAF-WISH.ipynb ) –
59- Demonstrates a Rietveld refinement of the Na2Ca3Al2F14 crystal structure using
60- two time-of-flight neutron powder diffraction datasets (from two detector
61- banks) of the WISH instrument at ISIS.
62- - [ LBCO+Si McStas] ( cryst-struct_pd-neut-tof_multiphase-LBCO-Si_McStas.ipynb ) –
63- Demonstrates a Rietveld refinement of the La0.5Ba0.5CoO3 crystal structure
64- with a small amount of Si impurity as a secondary phase using time-of-flight
65- neutron powder diffraction data simulated with McStas.
47+ - [ Co2SiO4 ` pd-neut-cwl ` ] ( ed-5.ipynb ) – Demonstrates a Rietveld refinement of
48+ the Co2SiO4 crystal structure using constant wavelength neutron powder
49+ diffraction data from D20 at ILL.
50+ - [ HS ` pd-neut-cwl ` ] ( ed-6.ipynb ) – Demonstrates a Rietveld refinement of the HS
51+ crystal structure using constant wavelength neutron powder diffraction data
52+ from HRPT at PSI.
53+ - [ Si ` pd-neut-tof ` ] ( ed-7.ipynb ) – Demonstrates a Rietveld refinement of the Si
54+ crystal structure using time-of-flight neutron powder diffraction data from
55+ SEPD at Argonne.
56+ - [ NCAF ` pd-neut-tof ` ] ( ed-8.ipynb ) – Demonstrates a Rietveld refinement of the
57+ Na2Ca3Al2F14 crystal structure using two time-of-flight neutron powder
58+ diffraction datasets (from two detector banks) of the WISH instrument at ISIS.
59+ - [ LBCO+Si McStas] ( ed-9.ipynb ) – Demonstrates a Rietveld refinement of the
60+ La0.5Ba0.5CoO3 crystal structure with a small amount of Si impurity as a
61+ secondary phase using time-of-flight neutron powder diffraction data simulated
62+ with McStas.
6663
6764## Pair Distribution Function (PDF)
6865
69- - [ Ni ` pd-neut-cwl ` ] ( pdf_pd-neut-cwl_Ni.ipynb ) – Demonstrates a PDF analysis of
70- Ni using data collected from a constant wavelength neutron powder diffraction
71- experiment.
72- - [ Si ` pd-neut-tof ` ] ( pdf_pd-neut-tof_Si-NOMAD.ipynb ) – Demonstrates a PDF
73- analysis of Si using data collected from a time-of-flight neutron powder
74- diffraction experiment at NOMAD at SNS.
75- - [ NaCl ` pd-xray ` ] ( pdf_pd-xray_NaCl.ipynb ) – Demonstrates a PDF analysis of NaCl
76- using data collected from an X-ray powder diffraction experiment.
66+ - [ Ni ` pd-neut-cwl ` ] ( ed-10.ipynb ) – Demonstrates a PDF analysis of Ni using data
67+ collected from a constant wavelength neutron powder diffraction experiment.
68+ - [ Si ` pd-neut-tof ` ] ( ed-11.ipynb ) – Demonstrates a PDF analysis of Si using data
69+ collected from a time-of-flight neutron powder diffraction experiment at NOMAD
70+ at SNS.
71+ - [ NaCl ` pd-xray ` ] ( ed-12.ipynb ) – Demonstrates a PDF analysis of NaCl using data
72+ collected from an X-ray powder diffraction experiment.
7773
7874## Workshops & Schools
7975
80- - [ 2025 DMSC] ( dmsc-summer-school-2025_analysis-powder-diffraction.ipynb ) – A
81- workshop tutorial that demonstrates a Rietveld refinement of the
82- La0.5Ba0.5CoO3 crystal structure using time-of-flight neutron powder
83- diffraction data simulated with McStas. This tutorial is designed for the ESS
84- DMSC Summer School 2025.
76+ - [ 2025 DMSC] ( ed-13.ipynb ) – A workshop tutorial that demonstrates a Rietveld
77+ refinement of the La0.5Ba0.5CoO3 crystal structure using time-of-flight
78+ neutron powder diffraction data simulated with McStas. This tutorial is
79+ designed for the ESS DMSC Summer School 2025.
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