Changeset 3342


Ignore:
Timestamp:
Apr 12, 2018 4:43:24 PM (4 years ago)
Author:
toby
Message:

add fit profile terms tutorial

Files:
53 added
3 edited
1 moved

Legend:

Unmodified
Added
Removed
  • Tutorials/PythonScript/Scripting.htm

    r3218 r3342  
    128128access a GSAS-II project, which is done with a call to
    129129<TT>GSASIIscriptable.G2Project()</tt>. This can be done in one of two
    130 ways: a call with <tt>G2sc.G2Project(filename=</tt><I>file</I><tt>)</tt> creates a new
     130ways: a call with <tt>G2sc.G2Project(newgpx=</tt><I>file</I><tt>)</tt> creates a new
    131131(empty) project, while a call with
    132132<tt>G2sc.G2Project(gpxfile=</tt><I>file</I><tt>)</tt> opens and
     
    138138<P>
    139139In this example, we create a new project by using the
    140 <tt>filename=</tt><I>file</I> argument with this code:
     140<tt>newgpx=</tt><I>file</I> argument with this code:
    141141   
    142142<blockquote><textarea rows="3" cols="70" readonly>
    143143# create a project with a default project name
    144 gpx = G2sc.G2Project(filename='PbSO4.gpx')</textarea></blockquote>
     144gpx = G2sc.G2Project(newgpx='PbSO4.gpx')</textarea></blockquote>
    145145
    146146Note that the file will not actually be created until an operation
     
    583583
    584584<blockquote><textarea rows="4" cols="70" readonly>
    585 gpx = G2sc.G2Project(filename='PbSO4sim.gpx') # create a project
     585gpx = G2sc.G2Project(newgpx='PbSO4sim.gpx') # create a project
    586586# step 1, setup: add a phase to the project
    587587phase0 = gpx.add_phase(os.path.join(datadir,"PbSO4-Wyckoff.cif"),
     
    655655<hr>
    656656<address></address>
    657 <!-- hhmts start -->Last modified: Thu Jan 11 09:41:57 CST 2018 <!-- hhmts end -->
     657<!-- hhmts start -->Last modified: Mon Feb 19 14:53:43 CST 2018 <!-- hhmts end -->
    658658</body> </html>
  • Tutorials/Simulation/SimTutorial.htm

    r3237 r3342  
    666666<p class=MsoNormal><span style='font-size:12.0pt;mso-fareast-font-family:"Times New Roman";
    667667mso-bidi-font-family:"Times New Roman"'>Note that a new histogram is now added
    668 to the data tree, as below. <o:p></o:p></span></p>
     668to the data tree, as below. (Note the "Edit range" button which can be
     669used to change the values entered on the previous dialog).
     670<o:p></o:p></span></p>
    669671
    670672<p class=MsoNormal><span style='font-size:12.0pt;mso-fareast-font-family:"Times New Roman";
     
    838840mso-bidi-font-family:"Times New Roman"'>A refinement computation is needed to
    839841cause the pattern to be simulated. When a pattern is first simulated, the
    840 observed pattern is set to the computed pattern. This means that it is actually
    841 possible to optimize any parameters that are selected to be refined. There is
    842 no reason to actually do this, so we will turn off optimization by setting the
    843 number of cycles to zero. Click on the Controls data tree entry and set the Max
     842observed pattern is set to the computed pattern (this can be reset by
     843using the "Edit range" button when the histogram data tree item is
     844selected. This means that it is actually
     845possible to optimize any parameters that are selected to be refined,
     846which can be used to test the sensitivity of different models refined
     847against a
     848simulated dataset. In this case we only need to compute the simulated
     849pattern, so we will turn off optimization by setting the
     850number of cycles to zero. Do this by clicking on the Controls data tree entry and set the Max
    844851cycles value to 0 using the pull-down menu:<o:p></o:p></span></p>
    845852
  • trunk/GSASIIctrlGUI.py

    r3317 r3342  
    47054705    ['BkgFit', 'FitBkgTut.htm',  'Fitting the Starting Background using Fixed Points'],
    47064706    ['Simulation', 'SimTutorial.htm',  'Simulating Powder Diffraction with GSAS-II'],
     4707    ['CWInstDemo', 'FindProfParamCW.htm',  'Determining Starting Profile Parameters from a Standard',
     4708     '''This shows how to determine approximate profile parameters by fitting individual peaks
     4709        from a standard with data collected on a standard lab instrument.'''],
    47074710   
    47084711    ['Parametric Rietveld fitting'],
     
    47574760
    47584761#A catalog of GSAS-II tutorials generated from the table in :data:`tutorialIndex`
    4759 tutorialCatalog = [l for l in tutorialIndex if len(l) == 3]
     4762tutorialCatalog = [l for l in tutorialIndex if len(l) >= 3]
    47604763
    47614764class OpenTutorial(wx.Dialog):
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