Tutorials
Each tutorial teaches one analysis on one example: its structure, its measured data and the steps from a first calculation to a fitted model and its report. Every example has a tutorial for each interface, and they teach the same steps in the same order:
The table lists every tutorial, grouped into sections, with the example's tags. See Experiment types and labels for the tags.
All purposes Fitting measured data Calculation without measured data All fitting modes Fit several experiments together Fit a scan using the preceding result Fit one experiment All sample forms Powder diffraction Single-crystal diffraction All probes Neutron diffraction X-ray diffraction All beam modes Constant wavelength Time of flight
La₀.₅Ba₀.₅CoO₃ on HRPT Cubic perovskite · La and Ba sharing one site · Profile, background, displacements Fitting Singlepd neut cwl Bragg CrystalPython Built-in assistant: La₀.₅Ba₀.₅CoO₃ on HRPT Cubic perovskite · La and Ba sharing one site · Profile, background, displacements Fitting Singlepd neut cwl Bragg Crystal AI assistant— — Your own assistant: La₀.₅Ba₀.₅CoO₃ on HRPT Cubic perovskite · La and Ba sharing one site · Profile, background, displacements Fitting Singlepd neut cwl Bragg Crystal AI assistant— Python ZnCu₃(OD)₆Cl₂ on HRPT Herbertsmithite · Deuterated kagome antiferromagnet · Bérar-Baldinozzi asymmetry Fitting Singlepd neut cwl Bragg CrystalPython Co₂SiO₄ on D20 Olivine · Coordinates, displacements and oxygen occupancies Fitting Singlepd neut cwl Bragg CrystalPython Co₂SiO₄ on D20 at 2.3 K Olivine at 2.3 K · Magnetic structure, k = 0 Fitting Singlepd neut cwl Bragg Crystal MagneticPython LiNiO₂ on ECHIDNA Layered oxide · Li/Ni site mixing · Occupancy constraints · TCH × FCJ asymmetry Fitting Singlepd neut cwl Bragg CrystalPython Y₂O₃ on SPODI Anisotropic β tensors tied by site symmetry · Coordinates, profile and background Fitting Singlepd neut cwl Bragg CrystalPython YAlO₃ and Al₂O₃ on SPODI 2 phases at 3 K · Shared Bérar-Baldinozzi profile · Cylinder absorption Fitting Singlepd neut cwl Bragg CrystalPython Si on SEPD Silicon standard · Jorgensen–Von Dreele profile · Time-of-flight neutron powder data Fitting Singlepd neut tof Bragg CrystalPython CeCoAl₃ on POLARIS Structure and time-of-flight profile fit · 24-term Chebyshev background Fitting Singlepd neut tof Bragg CrystalPython CeO₂ on PEARL NBS SRM 674a standard · Calibration and profile fit · 6-term polynomial background Fitting Singlepd neut tof Bragg CrystalPython La₀.₅Ba₀.₅CoO₃ and Si on a McStas instrument 2 phases · Simulated TOF pattern · Jorgensen profile Fitting Singlepd neut tof Bragg CrystalPython PbSO₄ on a laboratory diffractometer Rietveld round-robin data · Cu Kα doublet · Bérar-Baldinozzi asymmetry Fitting Singlepd xray cwl Bragg CrystalPython La(Ti,Cr,Mn,Fe,Co,Ni,Cu)O₃ on P02.1 High-entropy perovskite · Seven cations on one site · Synchrotron X-ray Fitting Singlepd xray cwl Bragg CrystalPython Tb₂Ti₂O₇ on HEiDi Single crystal · Anisotropic displacements and extinction from a rough start Fitting Singlesc neut cwl Bragg CrystalPython Pr₂NiO₄ on 5C2 Single crystal · Anisotropic displacements and coordinates from a rough start Fitting Singlesc neut cwl Bragg CrystalPython La₀.₅Ba₀.₅CoO₃ on HRPT Cubic perovskite · Simulated pattern without measured data Simulation Singlepd neut cwl Bragg CrystalPython — Tb₂Ti₂O₇ on HEiDi Simulation Singlesc neut cwl Bragg CrystalPython — Na₂Ca₃Al₂F₁₄ on WISH All five detector bank pairs fitted jointly · Jorgensen–Von Dreele profile · Per-bank calibration Fitting Jointpd neut tof Bragg CrystalPython Ferrite and austenite on BEER Instrument calibration · 2 McStas-simulated banks fitted jointly · Per-bank zero and resolution Fitting Jointpd neut tof Bragg CrystalPython PbSO₄ on D1A and a laboratory diffractometer Rietveld round-robin data · Neutron and X-ray patterns fitted jointly Fitting Jointpd neut xray cwl Bragg CrystalPython Co₂SiO₄ on D20, cooling scan Cooling scan · 213 patterns from 497.4 to 2.3 K, fitted from 2.3 K up with the magnetic structure Fitting Sequentialpd neut cwl Bragg Crystal MagneticPython LATP and AlPO₄ on BM01 3 phases · 73 synchrotron patterns · Linked displacement parameters Fitting Sequentialpd xray cwl Bragg CrystalPython Co₂SiO₄ on HEiDi Fitting Independentsc neut cwl Bragg Crystal MagneticPython Taurine on SENJU Single crystal · Time of flight · Six datasets · Anisotropic displacements Fitting Jointsc neut tof Bragg CrystalPython
Understand the reference
An example may compare a calculated curve or fitted values with FullProf or another reference. Read what is being compared: identical model settings, a program-specific model, or a labelled regression result answer different questions.
Use fit quality to interpret agreement factors. The references validate the paths and cases they cover; they do not establish every possible model or interface operation.