# Changeset 3386 for trunk/help/Tutorials.html

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Timestamp:
May 14, 2018 5:19:57 PM (4 years ago)
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reformat tutorial web page

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• ## trunk/help/Tutorials.html

 r3382
• Starting GSAS-II [No exercise files].
• An introduction to GSAS-II with starting instructions and a brief description of the displays.
An introduction to GSAS-II with starting instructions and a brief description of the displays.
• Fitting the Starting Background using Fixed Points [link: Exercise files].
• This shows how to get an initial estimate of background parameters from a suite of fixed points before beginning Rietveld refinement.
This shows how to get an initial estimate of background parameters from a suite of fixed points before beginning Rietveld refinement.

Rietveld refinement

Parametric sequential fitting

• Sequential refinement of multiple datasets [link: Exercise files].
• This shows the fitting of a structural model to multiple data sets collected as a function of temperature (7-300K). This tutorial is the prerequisite for the next one.
This shows the fitting of a structural model to multiple data sets collected as a function of temperature (7-300K). This tutorial is the prerequisite for the next one.
• Parametric Fitting and Pseudo Variables for Sequential Fits * [No exercise files].
• This explores the results of the sequential refinement obtained in the previous tutorial; includes plotting of variables and fitting the changes with simple equations.
This explores the results of the sequential refinement obtained in the previous tutorial; includes plotting of variables and fitting the changes with simple equations.

Structure solution

• Fitting individual peaks & autoindexing [link: Exercise files].
• This covers two examples of selecting individual powder diffraction peaks, fitting them and then indexing to determine the crystal lattice and possible space group. This is the prerequisite for the next two tutorials.
This covers two examples of selecting individual powder diffraction peaks, fitting them and then indexing to determine the crystal lattice and possible space group. This is the prerequisite for the next two tutorials.
• Charge Flipping structure solution for jadarite * [No exercise files].
• Solving the structure of jadarite (HLiNaSiB3O8) by charge flipping from Pawley extracted intensities from a high resolution synchrotron powder pattern.
Solving the structure of jadarite (HLiNaSiB3O8) by charge flipping from Pawley extracted intensities from a high resolution synchrotron powder pattern.
• Charge Flipping structure solution for sucrose * [No exercise files].
• Solving the structure of sucrose (C12H22O11) by charge flipping from Pawley extracted intensities from a high resolution synchrotron powder pattern.
Solving the structure of sucrose (C12H22O11) by charge flipping from Pawley extracted intensities from a high resolution synchrotron powder pattern.
• Charge Flipping structure solution with Xray single crystal data [link: Exercise files].
• Solving the structure of dipyridyl disulfate by charge flipping and then refine the structure by least-squares.
Solving the structure of dipyridyl disulfate by charge flipping and then refine the structure by least-squares.
• Charge flipping with neutron TOF single crystal data [link: Exercise files].
• Solving the crystal structure or rubrene (C42H28) from single crystal neutron data via charge flipping and then refine the structure by least squares.
Solving the crystal structure or rubrene (C42H28) from single crystal neutron data via charge flipping and then refine the structure by least squares.
• Monte-Carlo simulated annealing structure determination [link: Exercise files].
• Solving the structures of 3-aminoquinoline and Î±-d-lactose monohydrate from powder diffraction data via Monte Carlo/Simulated Annealing (MC/SA).
Solving the structures of 3-aminoquinoline and Î±-d-lactose monohydrate from powder diffraction data via Monte Carlo/Simulated Annealing (MC/SA).

Stacking Fault Modeling

Powder diffractometer calibration

• Determining Starting Profile Parameters from a Standard [link: Exercise files].
• This shows how to determine approximate profile parameters by fitting individual peaks with data collected on a standard using a lab diffractometer.
This shows how to determine profile parameters by fitting individual peaks with data collected on a standard using a lab diffractometer.
• Calibration of a Neutron TOF diffractometer [link: Exercise files].
This uses the fitted positions of all visible peaks in a pattern of NIST SRM 660b La11B6 (a=4.15689Ã ) obtained in a multiple single peak fit. The positions are compared to those expected from the known lattice parameters to establish the diffractometer constants (difC, difA, difB and Zero) used for calculating TOF peak positions from d-spacings. In addition, the peak fitting includes the various profile coefficients thus fully describing the instrument contribution to the peak profiles.

2D Image Processing

• Calibration of an area detector [link: Exercise files].
• A demonstration of calibrating a Perkin-Elmer area detector,  where the detector was intentionally tilted at 45 degrees. This exercise is the prerequisite for the next one.
A demonstration of calibrating a Perkin-Elmer area detector,  where the detector was intentionally tilted at 45 degrees. This exercise is the prerequisite for the next one.
• Integration of area detector data * [No exercise files].
• Integration of the image from a Perkin-Elmer area detector, where the detector was intentionally tilted at 45 degrees.
Integration of the image from a Perkin-Elmer area detector, where the detector was intentionally tilted at 45 degrees.
• Strain fitting of 2D data [link: Exercise files].
This show how to determine 3 strain tensor values using the method of He & Smith (Adv. in X-ray Anal. 41, 501, 1997) directly froom a sequence of 2D imges from a loaded sample.
• Texture analysis of 2D data [link: Exercise files].
This shows 3 different methods for determining texture via spherical harmonics from 2D x-ray diffraction images.

Small-Angle Scattering

Other

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