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

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  • trunk/help/Tutorials.html

    r3382 r3386  
    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><LI><I>An introduction to GSAS-II with starting instructions and a brief description of the displays.</I></UL>
     16<blockquote><I>An introduction to GSAS-II with starting instructions and a brief description of the displays.</I></blockquote>
    1717<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/BkgFit/FitBkgTut.htm">Fitting the Starting Background using Fixed Points</A>
    1818 [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>
     19<blockquote><I>This shows how to get an initial estimate of background parameters from a suite of fixed points
     20     before beginning Rietveld refinement.</I></blockquote>
    2121</UL><h4>Rietveld refinement</H4><UL>
    2222<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/LabData/Laboratory X.htm">Fitting laboratory X-ray powder data for fluoroapatite</A>
    2323 [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>
     24<blockquote><I>This shows a simple Rietveld refinement with CuKa lab Bragg-Brentano powder data.</I></blockquote>
    2525<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>
    2626 [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>
     27<blockquote><I>This shows a simple Rietveld refinement with constraints from CW neutron powder diffraction data.</I></blockquote>
    2828<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWCombined/Combined refinement.htm">Combined X-ray/CW-neutron refinement of PbSO4</A>
    2929 [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>
     30<blockquote><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></blockquote>
    3232<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>
    3333 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF-CW Joint Refinement/data">Exercise files</A>].
    34 <UL><LI><I>This shows Rietveld refinement with high resolution synchrotron powder data and neutron TOF data</I></UL>
     34<blockquote><I>This shows Rietveld refinement with high resolution synchrotron powder data and neutron TOF data</I></blockquote>
    3535<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Simulation/SimTutorial.htm">Simulating Powder Diffraction with GSAS-II</A>
    3636 [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>
     37<blockquote><I>This show how to create a simulated powder pattern from a lab diffractometer.</I></blockquote>
    3838</UL><h4>Parametric sequential fitting</H4><UL>
    3939<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/SequentialTutorial.htm">Sequential refinement of multiple datasets</A>
    4040 [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>
     41<blockquote><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></blockquote>
    4343<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>
    4444 [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>
     45<blockquote><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></blockquote>
    4747</UL>
    4848</UL><h4>Structure solution</H4><UL>
    4949<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/FitPeaks/Fit Peaks.htm">Fitting individual peaks & autoindexing</A>
    5050 [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>
     51<blockquote><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></blockquote>
    5353<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>
    5454 [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>
     55<blockquote><I>Solving the structure of jadarite (HLiNaSiB3O8) by charge flipping from Pawley extracted intensities
     56     from a high resolution synchrotron powder pattern.</I></blockquote>
    5757</UL>
    5858<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>
    5959 [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>
     60<blockquote><I>Solving the structure of sucrose (C12H22O11) by charge flipping from Pawley extracted intensities
     61     from a high resolution synchrotron powder pattern.</I></blockquote>
    6262</UL>
    6363<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CFXraySingleCrystal/CFSingleCrystal.htm">Charge Flipping structure solution with Xray single crystal data</A>
    6464 [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>
     65<blockquote><I>Solving the structure of dipyridyl disulfate by charge flipping and then refine the structure by least-squares.</I></blockquote>
    6666<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>
    6767 [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>
     68<blockquote><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></blockquote>
    6969<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MCsimanneal/MCSA in GSAS.htm">Monte-Carlo simulated annealing structure determination</A>
    7070 [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>
     71<blockquote><I>Solving the structures of 3-aminoquinoline and α-d-lactose monohydrate from powder diffraction data via Monte Carlo/Simulated Annealing (MC/SA).</I></blockquote>
    7272</UL><h4>Stacking Fault Modeling</H4><UL>
    7373<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-I/Stacking Faults-I.htm">Stacking fault simulations for diamond</A>
    7474 [No exercise files].
    75 <UL><LI><I>This shows how to simulate the diffraction patterns from faulted diamond.</I></UL>
     75<blockquote><I>This shows how to simulate the diffraction patterns from faulted diamond.</I></blockquote>
    7676<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-II/Stacking Faults II.htm">Stacking fault simulations for Keokuk kaolinite</A>
    7777 [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>
     78<blockquote><I>This shows how to simulate some diffraction patterns from well ordered Keokuk kaolinite (Al2Si2O5(OH)4) clay.</I></blockquote>
    7979<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StackingFaults-III/Stacking Faults-III.htm">Stacking fault simulations for Georgia kaolinite</A>
    8080 [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>
     81<blockquote><I>This shows how to simulate some diffraction patterns from poorly ordered Georgia kaolinite (Al2Si2O5(OH)4) clay.</I></blockquote>
    8282</UL><h4>Powder diffractometer calibration</H4><UL>
    8383<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm">Determining Starting Profile Parameters from a Standard</A>
    8484 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/data">Exercise files</A>].
    85 <UL><LI><I>This shows how to determine approximate profile parameters by fitting individual peaks
    86         with data collected on a standard using a lab diffractometer.</I></UL>
     85<blockquote><I>This shows how to determine profile parameters by fitting individual peaks
     86        with data collected on a standard using a lab diffractometer.</I></blockquote>
    8787<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>
    8888 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Calibration/data">Exercise files</A>].
     89<blockquote><I>This uses the fitted positions of all visible peaks in a pattern of NIST SRM 660b La11B6
     90     (a=4.15689Ã
     91) obtained in a multiple single peak fit. The positions are compared to those expected from the
     92     known lattice parameters to establish the diffractometer constants (difC, difA, difB and Zero) used for
     93     calculating TOF peak positions from d-spacings. In addition, the peak fitting includes the various profile
     94     coefficients thus fully describing the instrument contribution to the peak profiles.</I></blockquote>
    8995</UL><h4>2D Image Processing</H4><UL>
    9096<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>
    9197 [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>
     98<blockquote><I>A demonstration of calibrating a Perkin-Elmer area detector,  where the detector was intentionally tilted at 45 degrees.
     99     This exercise is the prerequisite for the next one.</I></blockquote>
    94100<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>
    95101 [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>
     102<blockquote><I>Integration of the image from a Perkin-Elmer area detector, where the detector was intentionally tilted at 45 degrees.</I></blockquote>
    97103</UL>
    98104<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>
    99105 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DStrain/data">Exercise files</A>].
     106<blockquote><I>This show how to determine 3 strain tensor values using the method of He & Smith (Adv. in X-ray Anal. 41, 501, 1997)
     107     directly froom a sequence of 2D imges from a loaded sample.</I></blockquote>
    100108<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>
    101109 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/2DTexture/data">Exercise files</A>].
     110<blockquote><I>This shows 3 different methods for determining texture via spherical harmonics from 2D x-ray diffraction images. </I></blockquote>
    102111</UL><h4>Small-Angle Scattering</H4><UL>
    103112<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>
    104113 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAsize/data">Exercise files</A>].
     114<blockquote><I>This shows how to determine the size distribution of particles using data from a constant
     115     wavelength synchrotron X-ray USAXS instrument. This is the prerequisite for the next tutorial</I></blockquote>
    105116<UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAfit/Fitting Small Angle Scattering Data.htm">Fitting small angle x-ray data (alumina powder)</A> <A href="#prereq">*</A>
    106117 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAfit/data">Exercise files</A>].
     118<blockquote><I>This shows how to fit small angle scattering data using data from a constant wavelength synchrotron X-ray USAXS instrument. </I></blockquote>
    107119</UL>
    108120<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAimages/Small Angle Image Processing.htm">Image Processing of small angle x-ray data</A>
    109121 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAimages/data">Exercise files</A>].
     122<blockquote><I>This shows how to  reduce 2D SAXS data to create 1D absolute scaled data. </I></blockquote>
    110123<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAseqref/Sequential Refinement of Small Angle Scattering Data.htm">Sequential refinement with small angle scattering data</A>
    111124 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SAseqref/data">Exercise files</A>].
     125<blockquote><I>This shows how to fit USAXS small angle scattering data for a suite of samples to demonstrate the
     126     sequential refinement technique in GSAS-II for SASD and demonstrates fitting with a hard sphere structure
     127     factor for non-dilute systems. </I></blockquote>
    112128</UL><h4>Other</H4><UL>
    113129<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MerohedralTwins/Merohedral twin refinement in GSAS.htm">Merohedral twin refinements</A>
    114130 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MerohedralTwins/data">Exercise files</A>].
     131<blockquote><I>This shows how to use GSAS-II to refine the structure of a few single crystal structures where there is merohedral twinning. </I></blockquote>
    115132<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Single Crystal Refinement/TOF single crystal refinement in GSAS.htm">Single crystal refinement from TOF data</A>
    116133 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/TOF Single Crystal Refinement/data">Exercise files</A>].
     134<blockquote><I>This shows how to refine the structure of sapphire (really corundum, Al2O3) from single crystal diffraction data
     135     collected at the SNS on the TOPAZ instrument at room temperature.  </I></blockquote>
    117136<LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/PythonScript/Scripting.htm">Scripting a GSAS-II Refinement from Python</A>
    118137 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/PythonScript/data">Exercise files</A>].
     138<blockquote><I>This demonstrates the use of the GSASIIscriptable module. This uses a Python script to perform a refinement or
     139     computation, but without use of the GSAS-II graphical user interface. This is a prerequisite for the next tutorial.</I></blockquote>
    119140<UL><LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/PythonScript/CommandLine.htm">Running a GSAS-II Refinement from the Command Line</A> <A href="#prereq">*</A>
    120141 [link: <A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/PythonScript/data">Exercise files</A>].
     142<blockquote><I>This shows a unix script that duplicates the previous Python Scripting GSAS-II tutorial. </I></blockquote>
    121143</UL>
    122144</UL>
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