Changeset 3382


Ignore:
Timestamp:
May 11, 2018 5:46:56 PM (3 years ago)
Author:
toby
Message:

update tutorials on web

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIctrlGUI.py

    r3381 r3382  
    48614861    ['StartingGSASII', 'Starting GSAS.htm', 'Starting GSAS-II',
    48624862     '''An introduction to GSAS-II with starting instructions and a brief description of the displays.'''],
     4863    ['BkgFit', 'FitBkgTut.htm',  'Fitting the Starting Background using Fixed Points',
     4864     '''This shows how to get an initial estimate of background parameters from a suite of fixed points
     4865     before beginning Rietveld refinement.'''],
    48634866
    48644867    ['Rietveld refinement'],
     
    48724875    ['TOF-CW Joint Refinement', 'TOF combined XN Rietveld refinement in GSAS.htm', 'Combined X-ray/TOF-neutron Rietveld refinement',
    48734876     '''This shows Rietveld refinement with high resolution synchrotron powder data and neutron TOF data'''],
    4874     ['BkgFit', 'FitBkgTut.htm',  'Fitting the Starting Background using Fixed Points',
    4875      '''This shows how to get an initial estimate of background parameters from a suite of fixed points
    4876      before beginning Rietveld refinement.'''],
    48774877    ['Simulation', 'SimTutorial.htm',  'Simulating Powder Diffraction with GSAS-II',
    48784878     '''This show how to create a simulated powder pattern from a lab diffractometer.'''],
  • trunk/help/Tutorials.html

    r3344 r3382  
    1414<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StartingGSASII/Starting GSAS.htm">Starting GSAS-II</A>
    1515 [No exercise files].
    16 </UL><h4>Rietveld fitting</H4><UL>
     16<UL><LI><I>An introduction to GSAS-II with starting instructions and a brief description of the displays.</I></UL>
     17<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/BkgFit/FitBkgTut.htm">Fitting the Starting Background using Fixed Points</A>
     18 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/BkgFit/data">Exercise files</A>].
     19<UL><LI><I>This shows how to get an initial estimate of background parameters from a suite of fixed points
     20     before beginning Rietveld refinement.</I></UL>
     21</UL><h4>Rietveld refinement</H4><UL>
    1722<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/LabData/Laboratory X.htm">Fitting laboratory X-ray powder data for fluoroapatite</A>
    1823 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/LabData/data">Exercise files</A>].
     24<UL><LI><I>This shows a simple Rietveld refinement with CuKa lab Bragg-Brentano powder data.</I></UL>
    1925<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWNeutron/Neutron CW Powder Data.htm">CW Neutron Powder fit for Yttrium-Iron Garnet</A>
    2026 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWNeutron/data">Exercise files</A>].
     27<UL><LI><I>This shows a simple Rietveld refinement with constraints from CW neutron powder diffraction data.</I></UL>
    2128<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWCombined/Combined refinement.htm">Combined X-ray/CW-neutron refinement of PbSO4</A>
    2229 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWCombined/data">Exercise files</A>].
     30<UL><LI><I>This shows Rietveld refinement of a structure with room temperature lab CuKa data and low temperature CW neutron data;
     31     use is made of the lattice parameter offsets to account for thermal expansion.</I></UL>
    2332<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF-CW Joint Refinement/TOF combined XN Rietveld refinement in GSAS.htm">Combined X-ray/TOF-neutron Rietveld refinement</A>
    2433 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF-CW Joint Refinement/data">Exercise files</A>].
    25 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/BkgFit/FitBkgTut.htm">Fitting the Starting Background using Fixed Points</A>
    26  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/BkgFit/data">Exercise files</A>].
     34<UL><LI><I>This shows Rietveld refinement with high resolution synchrotron powder data and neutron TOF data</I></UL>
    2735<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Simulation/SimTutorial.htm">Simulating Powder Diffraction with GSAS-II</A>
    2836 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Simulation/data">Exercise files</A>].
     37<UL><LI><I>This show how to create a simulated powder pattern from a lab diffractometer.</I></UL>
     38</UL><h4>Parametric sequential fitting</H4><UL>
     39<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/SequentialTutorial.htm">Sequential refinement of multiple datasets</A>
     40 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/data">Exercise files</A>].
     41<UL><LI><I>This shows the fitting of a structural model to multiple data sets collected as a function of temperature (7-300K).
     42     This tutorial is the prerequisite for the next one.</I></UL>
     43<UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqParametric/ParametricFitting.htm">Parametric Fitting and Pseudo Variables for Sequential Fits</A> <A href="#prereq">*</A>
     44 [No exercise files].
     45<UL><LI><I>This explores the results of the sequential refinement obtained in the previous tutorial; includes
     46     plotting of variables and fitting the changes with simple equations.</I></UL>
     47</UL>
     48</UL><h4>Structure solution</H4><UL>
     49<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/FitPeaks/Fit Peaks.htm">Fitting individual peaks & autoindexing</A>
     50 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/FitPeaks/data">Exercise files</A>].
     51<UL><LI><I>This covers two examples of selecting individual powder diffraction peaks, fitting them and then
     52     indexing to determine the crystal lattice and possible space group. This is the prerequisite for the next two tutorials.</I></UL>
     53<UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFjadarite/Charge Flipping in GSAS.htm">Charge Flipping structure solution for jadarite</A> <A href="#prereq">*</A>
     54 [No exercise files].
     55<UL><LI><I>Solving the structure of jadarite (HLiNaSiB3O8) by charge flipping from Pawley extracted intensities
     56     from a high resolution synchrotron powder pattern.</I></UL>
     57</UL>
     58<UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFsucrose/Charge Flipping - sucrose.htm">Charge Flipping structure solution for sucrose</A> <A href="#prereq">*</A>
     59 [No exercise files].
     60<UL><LI><I>Solving the structure of sucrose (C12H22O11) by charge flipping from Pawley extracted intensities
     61     from a high resolution synchrotron powder pattern.</I></UL>
     62</UL>
     63<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFXraySingleCrystal/CFSingleCrystal.htm">Charge Flipping structure solution with Xray single crystal data</A>
     64 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFXraySingleCrystal/data">Exercise files</A>].
     65<UL><LI><I>Solving the structure of dipyridyl disulfate by charge flipping and then refine the structure by least-squares.</I></UL>
     66<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Charge Flipping/Charge Flipping with TOF single crystal data in GSASII.htm">Charge flipping with neutron TOF single crystal data</A>
     67 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Charge Flipping/data">Exercise files</A>].
     68<UL><LI><I>Solving the crystal structure or rubrene (C42H28) from single crystal neutron data via charge flipping and then refine the structure by least squares.</I></UL>
     69<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MCsimanneal/MCSA in GSAS.htm">Monte-Carlo simulated annealing structure determination</A>
     70 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MCsimanneal/data">Exercise files</A>].
     71<UL><LI><I>Solving the structures of 3-aminoquinoline and α-d-lactose monohydrate from powder diffraction data via Monte Carlo/Simulated Annealing (MC/SA).</I></UL>
     72</UL><h4>Stacking Fault Modeling</H4><UL>
     73<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-I/Stacking Faults-I.htm">Stacking fault simulations for diamond</A>
     74 [No exercise files].
     75<UL><LI><I>This shows how to simulate the diffraction patterns from faulted diamond.</I></UL>
     76<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-II/Stacking Faults II.htm">Stacking fault simulations for Keokuk kaolinite</A>
     77 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-II/data">Exercise files</A>].
     78<UL><LI><I>This shows how to simulate some diffraction patterns from well ordered Keokuk kaolinite (Al2Si2O5(OH)4) clay.</I></UL>
     79<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-III/Stacking Faults-III.htm">Stacking fault simulations for Georgia kaolinite</A>
     80 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-III/data">Exercise files</A>].
     81<UL><LI><I>This shows how to simulate some diffraction patterns from poorly ordered Georgia kaolinite (Al2Si2O5(OH)4) clay.</I></UL>
     82</UL><h4>Powder diffractometer calibration</H4><UL>
    2983<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm">Determining Starting Profile Parameters from a Standard</A>
    3084 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data">Exercise files</A>].
    3185<UL><LI><I>This shows how to determine approximate profile parameters by fitting individual peaks
    3286        with data collected on a standard using a lab diffractometer.</I></UL>
    33 </UL><h4>Parametric Rietveld fitting</H4><UL>
    34 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/SequentialTutorial.htm">Sequential refinement of multiple datasets</A>
    35  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/data">Exercise files</A>].
    36 <UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqParametric/ParametricFitting.htm">Parametric Fitting and Pseudo Variables for Sequential Fits</A> <A href="#prereq">*</A>
    37  [No exercise files].
    38 </UL>
    39 </UL><h4>Structure solution</H4><UL>
    40 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/FitPeaks/Fit Peaks.htm">Fitting individual peaks & autoindexing</A>
    41  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/FitPeaks/data">Exercise files</A>].
    42 <UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFjadarite/Charge Flipping in GSAS.htm">Charge Flipping structure solution for jadarite</A> <A href="#prereq">*</A>
    43  [No exercise files].
    44 </UL>
    45 <UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFsucrose/Charge Flipping - sucrose.htm">Charge Flipping structure solution for sucrose</A> <A href="#prereq">*</A>
    46  [No exercise files].
    47 </UL>
    48 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFXraySingleCrystal/CFSingleCrystal.htm">Charge Flipping structure solution with Xray single crystal data</A>
    49  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFXraySingleCrystal/data">Exercise files</A>].
    50 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Charge Flipping/Charge Flipping with TOF single crystal data in GSASII.htm">Charge flipping with neutron TOF single crystal data</A>
    51  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Charge Flipping/data">Exercise files</A>].
    52 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MCsimanneal/MCSA in GSAS.htm">Monte-Carlo simulated annealing structure determination</A>
    53  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MCsimanneal/data">Exercise files</A>].
    54 </UL><h4>Stacking Fault Modeling</H4><UL>
    55 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-I/Stacking Faults-I.htm">Stacking fault simulations for diamond</A>
    56  [No exercise files].
    57 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-II/Stacking Faults II.htm">Stacking fault simulations for Keokuk kaolinite</A>
    58  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-II/data">Exercise files</A>].
    59 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-III/Stacking Faults-III.htm">Stacking fault simulations for Georgia kaolinite</A>
    60  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-III/data">Exercise files</A>].
    61 </UL><h4>Image Calibration/Integration</H4><UL>
     87<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Calibration/Calibration of a TOF powder diffractometer.htm">Calibration of a Neutron TOF diffractometer</A>
     88 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Calibration/data">Exercise files</A>].
     89</UL><h4>2D Image Processing</H4><UL>
    6290<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DCalibration/Calibration of an area detector in GSAS.htm">Calibration of an area detector</A>
    6391 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DCalibration/data">Exercise files</A>].
     92<UL><LI><I>A demonstration of calibrating a Perkin-Elmer area detector,  where the detector was intentionally tilted at 45 degrees.
     93     This exercise is the prerequisite for the next one.</I></UL>
    6494<UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DIntegration/Integration of area detector data in GSAS.htm">Integration of area detector data</A> <A href="#prereq">*</A>
    6595 [No exercise files].
     96<UL><LI><I>Integration of the image from a Perkin-Elmer area detector, where the detector was intentionally tilted at 45 degrees.</I></UL>
    6697</UL>
    67 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Calibration/Calibration of a TOF powder diffractometer.htm">Calibration of a Neutron TOF diffractometer</A>
    68  [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Calibration/data">Exercise files</A>].
    69 </UL><h4>Small-Angle Scattering</H4><UL>
    7098<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DStrain/Strain fitting of 2D data in GSAS-II.htm">Strain fitting of 2D data</A>
    7199 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DStrain/data">Exercise files</A>].
    72100<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DTexture/Texture analysis of 2D data in GSAS-II.htm">Texture analysis of 2D data</A>
    73101 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DTexture/data">Exercise files</A>].
     102</UL><h4>Small-Angle Scattering</H4><UL>
    74103<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAsize/Small Angle Size Distribution.htm">Small angle x-ray data size distribution (alumina powder)</A>
    75104 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAsize/data">Exercise files</A>].
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