Changeset 5324 for Tutorials/CWInstDemo


Ignore:
Timestamp:
Aug 28, 2022 10:40:32 AM (15 months ago)
Author:
toby
Message:

add "create inst parm" to tutorial

File:
1 edited

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  • Tutorials/CWInstDemo/FindProfParamCW.htm

    r4457 r5324  
    733733<div class=WordSection1>
    734734
    735 <h1><span style='mso-bidi-font-family:"Times New Roman"'>Determining Profile
    736 Parameters from a Standard<o:p></o:p></span></h1>
     735  <h1><span style='mso-bidi-font-family:"Times New Roman"'>
     736  Create Instrument Parameter File: Determine Starting Profile from a
     737  Standard<o:p></o:p></span></h1>
    737738
    738739<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     
    750751<p class=MsoNormal><span style='font-size:14.0pt'>The goal of this exercise is
    751752to determine approximate instrument profile parameters by a quick peak fit to a
    752 sample with a lab diffractometer. Ideally, one should use a material or mixture
     753  sample with a lab diffractometer. Then in step 3.4 a new instrument
     754  parameter file is created allowing these parameters to be used as
     755  the starting point with other datasets.
     756  Ideally, one should use a material or mixture
    753757of materials that has peaks over the entire range where you collect data and
    754758use a material(s) that have negligible sample broadening (from crystallite size
    755759or <span class=SpellE>microstrain</span>). The NIST LaB<sub>6</sub> standards
    756 (SRM 660, 660a and 660b) are good choices for this, as it has very little
    757 sample broadening and a relatively small number of peaks over a wide angular
     760(SRM 660, 660a and 660b) are good choices for this, as they have very little
     761sample broadening and a relatively small number of peaks but over a wide angular
    758762range, although it would be good to have peaks starting somewhat lower in
    7597632theta. <o:p></o:p></span></p>
     
    18821886peak positions have not been refined, a good fit is not to be expected. Click
    18831887on the refine column heading to the immediate right of the peak positions, then
    1884 select ÒY &#8211; vary allÓ and again use the Peak Fitting/<span class=SpellE>Peakfit</span>
     1888select "Y" and "vary all" and again use the Peak Fitting/<span class=SpellE>Peakfit</span>
    18851889menu command. The fit improves significantly with an <span class=SpellE>Rwp</span>
    18861890value of ~8%. The fit shows very small difference plot:<o:p></o:p></span></p>
     
    19331937
    19341938<p class=MsoNormal><span style='font-size:14.0pt'>Select the Instrument
    1935 Parameter tree entry and then use the Operations/Save ProfileÉ menu command to
     1939Parameter tree entry and then use the Operations/Save Profile... menu command to
    19361940write a file. This can be used as the starting point for future refinements.
    19371941The plot shown at this point compares the mostly meaningless default starting
    19381942profile terms (as solid lines) to the fit here (as dashed lines). Using Operations/Load
    1939 ProfileÉ resets the default values to the current refinement parameters, which
     1943Profile... resets the default values to the current refinement parameters, which
    19401944makes for a simpler plot. <o:p></o:p></span></p>
    19411945
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