Changeset 3386
- Timestamp:
- May 14, 2018 5:19:57 PM (6 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
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trunk/help/Tutorials.html
r3382 r3386 14 14 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/StartingGSASII/Starting GSAS.htm">Starting GSAS-II</A> 15 15 [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> 17 17 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/BkgFit/FitBkgTut.htm">Fitting the Starting Background using Fixed Points</A> 18 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 points20 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> 21 21 </UL><h4>Rietveld refinement</H4><UL> 22 22 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/LabData/Laboratory X.htm">Fitting laboratory X-ray powder data for fluoroapatite</A> 23 23 [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> 25 25 <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> 26 26 [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> 28 28 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWCombined/Combined refinement.htm">Combined X-ray/CW-neutron refinement of PbSO4</A> 29 29 [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> 32 32 <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> 33 33 [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> 35 35 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/Simulation/SimTutorial.htm">Simulating Powder Diffraction with GSAS-II</A> 36 36 [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> 38 38 </UL><h4>Parametric sequential fitting</H4><UL> 39 39 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/SeqRefine/SequentialTutorial.htm">Sequential refinement of multiple datasets</A> 40 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>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> 43 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 44 [No exercise files]. 45 < UL><LI><I>This explores the results of the sequential refinement obtained in the previous tutorial; includes46 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> 47 47 </UL> 48 48 </UL><h4>Structure solution</H4><UL> 49 49 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/FitPeaks/Fit Peaks.htm">Fitting individual peaks & autoindexing</A> 50 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 then52 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> 53 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 54 [No exercise files]. 55 < UL><LI><I>Solving the structure of jadarite (HLiNaSiB3O8) by charge flipping from Pawley extracted intensities56 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> 57 57 </UL> 58 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 59 [No exercise files]. 60 < UL><LI><I>Solving the structure of sucrose (C12H22O11) by charge flipping from Pawley extracted intensities61 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> 62 62 </UL> 63 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 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>65 <blockquote><I>Solving the structure of dipyridyl disulfate by charge flipping and then refine the structure by least-squares.</I></blockquote> 66 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 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>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> 69 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 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>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> 72 72 </UL><h4>Stacking Fault Modeling</H4><UL> 73 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 74 [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> 76 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 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>78 <blockquote><I>This shows how to simulate some diffraction patterns from well ordered Keokuk kaolinite (Al2Si2O5(OH)4) clay.</I></blockquote> 79 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 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>81 <blockquote><I>This shows how to simulate some diffraction patterns from poorly ordered Georgia kaolinite (Al2Si2O5(OH)4) clay.</I></blockquote> 82 82 </UL><h4>Powder diffractometer calibration</H4><UL> 83 83 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm">Determining Starting Profile Parameters from a Standard</A> 84 84 [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 peaks86 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> 87 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 88 [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=4.15689à 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> 89 95 </UL><h4>2D Image Processing</H4><UL> 90 96 <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> 91 97 [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> 94 100 <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> 95 101 [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> 97 103 </UL> 98 104 <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> 99 105 [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> 100 108 <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> 101 109 [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> 102 111 </UL><h4>Small-Angle Scattering</H4><UL> 103 112 <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> 104 113 [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> 105 116 <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> 106 117 [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> 107 119 </UL> 108 120 <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> 109 121 [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> 110 123 <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> 111 124 [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> 112 128 </UL><h4>Other</H4><UL> 113 129 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/MerohedralTwins/Merohedral twin refinement in GSAS.htm">Merohedral twin refinements</A> 114 130 [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> 115 132 <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> 116 133 [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> 117 136 <LI><A href="https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/PythonScript/Scripting.htm">Scripting a GSAS-II Refinement from Python</A> 118 137 [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> 119 140 <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> 120 141 [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> 121 143 </UL> 122 144 </UL> -
trunk/makeTutorial.py
r3344 r3386 72 72 print(' [No exercise files].',file=out) 73 73 if len(l) > 3: 74 print("< UL><LI><I>"+l[3]+"</I></UL>",file=out)74 print("<blockquote><I>"+l[3]+"</I></blockquote>",file=out) 75 75 if suffix: print('</UL>',file=out) 76 76 # if l[2][0] == ' ':
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